smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc(N5CCCC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001164630894 719088512 /nfs/dbraw/zinc/08/85/12/719088512.db2.gz XHKCIENNSIHBJK-IRLDBZIGSA-N 2 0 362.521 3.783 20 0 FHADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164793362 721491417 /nfs/dbraw/zinc/49/14/17/721491417.db2.gz QTUNMGDEWRNBRF-UHFFFAOYSA-N 2 0 361.493 3.839 20 0 FHADRP [NH3+][C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000237891536 936328683 /nfs/dbraw/zinc/32/86/83/936328683.db2.gz GIKPFFKGNSUJGQ-QFIPXVFZSA-N 2 0 365.521 3.769 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000583006571 936361620 /nfs/dbraw/zinc/36/16/20/936361620.db2.gz XTYGQRSDBYQXNU-PMACEKPBSA-N 2 0 350.934 3.752 20 0 FHADRP CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)s1 ZINC000162225901 936364058 /nfs/dbraw/zinc/36/40/58/936364058.db2.gz PYXWXTJEBDZANN-CYBMUJFWSA-N 2 0 359.543 3.740 20 0 FHADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261815701 937098522 /nfs/dbraw/zinc/09/85/22/937098522.db2.gz WFOFOCICCCFXTN-FUNVUKJBSA-N 2 0 356.297 3.537 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579704439 927149198 /nfs/dbraw/zinc/14/91/98/927149198.db2.gz AZAGBFYHDPGEAE-PZJWPPBQSA-N 2 0 371.569 3.683 20 0 FHADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138578 937159570 /nfs/dbraw/zinc/15/95/70/937159570.db2.gz APQIFQGOQPJDFQ-HNNXBMFYSA-N 2 0 371.447 3.602 20 0 FHADRP Brc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546182 927423356 /nfs/dbraw/zinc/42/33/56/927423356.db2.gz KBQSWVNGLLYROV-GDBMZVCRSA-N 2 0 365.315 3.927 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546846 927442368 /nfs/dbraw/zinc/44/23/68/927442368.db2.gz VUXAOGCSERVCRR-LPHOPBHVSA-N 2 0 358.530 3.886 20 0 FHADRP CS[C@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](SC)C3)ccc2F)C1 ZINC000579797378 927542403 /nfs/dbraw/zinc/54/24/03/927542403.db2.gz WBHDJYMDBPDIAR-IRXDYDNUSA-N 2 0 354.560 3.700 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000579811379 927757446 /nfs/dbraw/zinc/75/74/46/927757446.db2.gz BRCKACKGYWGEOK-FQEVSTJZSA-N 2 0 372.557 3.961 20 0 FHADRP CSC[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430192050 927763482 /nfs/dbraw/zinc/76/34/82/927763482.db2.gz NMFGBEAMBAAWBF-SFHVURJKSA-N 2 0 361.599 3.792 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000274740656 927764580 /nfs/dbraw/zinc/76/45/80/927764580.db2.gz ADYHWSLUQWJJCK-PXKOIKFJSA-N 2 0 362.583 3.566 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000069645682 928679549 /nfs/dbraw/zinc/67/95/49/928679549.db2.gz TVSZJEBVUJAXJE-OAQYLSRUSA-N 2 0 371.525 3.537 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000583247132 937278417 /nfs/dbraw/zinc/27/84/17/937278417.db2.gz MLGRNHQTRFLRML-TZIWHRDSSA-N 2 0 370.541 3.718 20 0 FHADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC)CC2)ccc1OCC(F)(F)F ZINC000579864842 928862829 /nfs/dbraw/zinc/86/28/29/928862829.db2.gz XSBDJGWXNCWZTP-UHFFFAOYSA-N 2 0 374.447 3.848 20 0 FHADRP CCC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000179658549 928914697 /nfs/dbraw/zinc/91/46/97/928914697.db2.gz SIVMGSPKCCESES-JOCHJYFZSA-N 2 0 371.569 3.620 20 0 FHADRP C[C@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000547740531 929169668 /nfs/dbraw/zinc/16/96/68/929169668.db2.gz CBWNALJRXIGAPB-QGQLOYOPSA-N 2 0 369.597 3.918 20 0 FHADRP CN(c1ccccc1C[NH+]1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000179964396 929266266 /nfs/dbraw/zinc/26/62/66/929266266.db2.gz PJPIGTYJSDAPET-UHFFFAOYSA-N 2 0 369.475 3.991 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1)CC(C)C ZINC000583290310 937322732 /nfs/dbraw/zinc/32/27/32/937322732.db2.gz RCPFWVQTTPSONF-UHFFFAOYSA-N 2 0 352.592 3.789 20 0 FHADRP CC(=O)OC(C)(C)CCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209155192 929358494 /nfs/dbraw/zinc/35/84/94/929358494.db2.gz IHJUDJQDHFFKLY-UHFFFAOYSA-N 2 0 360.542 3.952 20 0 FHADRP CC1(C)CC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC(C)(C)[NH2+]1 ZINC000180157326 929409506 /nfs/dbraw/zinc/40/95/06/929409506.db2.gz IAQWBIPVEBNOGE-SESVDKBCSA-N 2 0 355.570 3.796 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Oc1ccccc1 ZINC000150906624 937345645 /nfs/dbraw/zinc/34/56/45/937345645.db2.gz ZALFZZPAMVTQSC-IBGZPJMESA-N 2 0 367.537 3.774 20 0 FHADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583321998 937349132 /nfs/dbraw/zinc/34/91/32/937349132.db2.gz OSVQMZJZBDKWOS-GJZGRUSLSA-N 2 0 374.326 3.819 20 0 FHADRP O[C@@H](CCc1ccccc1)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691392 929808129 /nfs/dbraw/zinc/80/81/29/929808129.db2.gz CCGXLKLCEAIWMP-KIHHCIJBSA-N 2 0 364.533 3.765 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124490573 930004595 /nfs/dbraw/zinc/00/45/95/930004595.db2.gz MTJFXZIMVLJQLW-OAHLLOKOSA-N 2 0 366.619 3.673 20 0 FHADRP CC[N@H+](CCC(F)(F)F)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092753796 937384329 /nfs/dbraw/zinc/38/43/29/937384329.db2.gz SBUSGRPLWDLODQ-UHFFFAOYSA-N 2 0 357.464 3.991 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064612 930267692 /nfs/dbraw/zinc/26/76/92/930267692.db2.gz KMNLTUZGOALLFX-SIKLNZKXSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125181899 930584585 /nfs/dbraw/zinc/58/45/85/930584585.db2.gz DBGBEQNCBPBNDT-JBYIUTFZSA-N 2 0 362.521 3.903 20 0 FHADRP COC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125483903 930644896 /nfs/dbraw/zinc/64/48/96/930644896.db2.gz VLEVAPLYAKNLRA-FQEVSTJZSA-N 2 0 358.551 3.807 20 0 FHADRP C[C@H]([NH3+])C1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000580418242 930662306 /nfs/dbraw/zinc/66/23/06/930662306.db2.gz RUOLYQBANJXZBM-SFHVURJKSA-N 2 0 372.557 3.552 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000471582228 930737552 /nfs/dbraw/zinc/73/75/52/930737552.db2.gz NQFNVWGBGSANOT-QAPCUYQASA-N 2 0 372.384 3.930 20 0 FHADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000471587907 930783672 /nfs/dbraw/zinc/78/36/72/930783672.db2.gz WKIMVPSDCKSZLN-HXUWFJFHSA-N 2 0 353.510 3.806 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252476466 930810330 /nfs/dbraw/zinc/81/03/30/930810330.db2.gz YOCQIGFQYWNCAR-CFVMTHIKSA-N 2 0 353.304 3.735 20 0 FHADRP Cc1cc(Nc2c[nH+]cn2C)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001211248483 930966654 /nfs/dbraw/zinc/96/66/54/930966654.db2.gz MXCHWQQAKPKHLC-UHFFFAOYSA-N 2 0 364.497 3.581 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1)C1CC[NH+](C)CC1 ZINC000656272527 931025164 /nfs/dbraw/zinc/02/51/64/931025164.db2.gz WSMFAULCKWRNHF-JOCHJYFZSA-N 2 0 371.569 3.751 20 0 FHADRP COc1cc(F)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1OC ZINC000580778137 931133022 /nfs/dbraw/zinc/13/30/22/931133022.db2.gz QWJMLXJWTQGTOE-UHFFFAOYSA-N 2 0 360.473 3.973 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000580836775 931249495 /nfs/dbraw/zinc/24/94/95/931249495.db2.gz KETKJVATPBMOKQ-ZWKOTPCHSA-N 2 0 357.542 3.823 20 0 FHADRP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000581011700 931466920 /nfs/dbraw/zinc/46/69/20/931466920.db2.gz OORBYNQTXWOOIJ-GGAORHGYSA-N 2 0 366.505 3.690 20 0 FHADRP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@H]3C[N@H+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404507 931593709 /nfs/dbraw/zinc/59/37/09/931593709.db2.gz ZMTGICAUYSFDFN-KHUIQGCPSA-N 2 0 372.516 3.905 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000070870147 931641352 /nfs/dbraw/zinc/64/13/52/931641352.db2.gz MYFJYBGVGZYFMX-LJQANCHMSA-N 2 0 367.537 3.665 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560406 931846878 /nfs/dbraw/zinc/84/68/78/931846878.db2.gz WATUCEBMGVBNLB-PWIZWCRZSA-N 2 0 362.477 3.885 20 0 FHADRP c1ccc([C@H](NCc2ccc(C[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000558429406 931877898 /nfs/dbraw/zinc/87/78/98/931877898.db2.gz WMQVIMKOAGHHPX-QHCPKHFHSA-N 2 0 358.489 3.952 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569253 931905639 /nfs/dbraw/zinc/90/56/39/931905639.db2.gz HFTASEGPTCIBKM-ROUUACIJSA-N 2 0 367.493 3.867 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578435 931936835 /nfs/dbraw/zinc/93/68/35/931936835.db2.gz PFYRLTRHCWPULL-ROUUACIJSA-N 2 0 367.537 3.727 20 0 FHADRP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000317563849 932123973 /nfs/dbraw/zinc/12/39/73/932123973.db2.gz VNUYYKICLNHEIL-LSDHHAIUSA-N 2 0 360.299 3.714 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(-c2ccncc2)c1 ZINC000581515981 932192816 /nfs/dbraw/zinc/19/28/16/932192816.db2.gz RJDWDDAYAQSBQA-QHCPKHFHSA-N 2 0 366.553 3.597 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784030 932419957 /nfs/dbraw/zinc/41/99/57/932419957.db2.gz CGURDIHNPCMQLZ-FQEVSTJZSA-N 2 0 352.526 3.701 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786441 932422240 /nfs/dbraw/zinc/42/22/40/932422240.db2.gz MOJCFXPBKPRHTD-GOSISDBHSA-N 2 0 356.489 3.531 20 0 FHADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631240 932422890 /nfs/dbraw/zinc/42/28/90/932422890.db2.gz UAPKRKQNINVLRE-ROUUACIJSA-N 2 0 351.494 3.931 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787082 932426082 /nfs/dbraw/zinc/42/60/82/932426082.db2.gz SPIVKGFMJRHKDG-OAHLLOKOSA-N 2 0 360.452 3.567 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC000430636799 932462224 /nfs/dbraw/zinc/46/22/24/932462224.db2.gz JTFOQOIOMPQEQT-UHFFFAOYSA-N 2 0 368.912 3.909 20 0 FHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000581726148 932559529 /nfs/dbraw/zinc/55/95/29/932559529.db2.gz BMTXUBLSLRLLNK-SJORKVTESA-N 2 0 364.468 3.848 20 0 FHADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829933 933072365 /nfs/dbraw/zinc/07/23/65/933072365.db2.gz GVBXGGMBGORFHQ-ROUUACIJSA-N 2 0 358.448 3.628 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cn1 ZINC000090971308 933109286 /nfs/dbraw/zinc/10/92/86/933109286.db2.gz GSPNVEFEODXOTK-QGZVFWFLSA-N 2 0 368.500 3.604 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740115 933191200 /nfs/dbraw/zinc/19/12/00/933191200.db2.gz JCKBCTFQSUBPCU-DYESRHJHSA-N 2 0 351.494 3.600 20 0 FHADRP COc1cccc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430914995 933410243 /nfs/dbraw/zinc/41/02/43/933410243.db2.gz BCHLUTDHBIFFJV-LJQANCHMSA-N 2 0 373.585 3.884 20 0 FHADRP Clc1ccc(OCc2cccnc2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430914525 933410312 /nfs/dbraw/zinc/41/03/12/933410312.db2.gz LIIGNGBSMRKFAY-UHFFFAOYSA-N 2 0 371.912 3.890 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000510684448 933421795 /nfs/dbraw/zinc/42/17/95/933421795.db2.gz QARYRJQGRDHOOL-INIZCTEOSA-N 2 0 372.475 3.851 20 0 FHADRP [NH3+]C[C@@H]1CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000430940786 933451152 /nfs/dbraw/zinc/45/11/52/933451152.db2.gz RDWXGGMYUWMYQW-INIZCTEOSA-N 2 0 354.885 3.519 20 0 FHADRP Brc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c2ncccc12 ZINC000430955034 933484333 /nfs/dbraw/zinc/48/43/33/933484333.db2.gz LCULADKSVVDKJI-UHFFFAOYSA-N 2 0 360.299 3.573 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000430955685 933486800 /nfs/dbraw/zinc/48/68/00/933486800.db2.gz MRLBVYCINCKUBI-QFIPXVFZSA-N 2 0 365.521 3.915 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000430964875 933511990 /nfs/dbraw/zinc/51/19/90/933511990.db2.gz JGTGXJSQTJDXMM-OAHLLOKOSA-N 2 0 359.901 3.873 20 0 FHADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000431061983 933764083 /nfs/dbraw/zinc/76/40/83/933764083.db2.gz YVDXWXJLNWLXQV-AVRDEDQJSA-N 2 0 365.521 3.990 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@H](C)O1 ZINC000092587526 934099261 /nfs/dbraw/zinc/09/92/61/934099261.db2.gz XANZVZBQCWZZAZ-IYBDPMFKSA-N 2 0 363.571 3.732 20 0 FHADRP CC(C)c1ncc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000092587054 934099360 /nfs/dbraw/zinc/09/93/60/934099360.db2.gz VBMUVPWYXFKNDR-HZPDHXFCSA-N 2 0 351.560 3.588 20 0 FHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@H]21 ZINC000262095764 934167277 /nfs/dbraw/zinc/16/72/77/934167277.db2.gz IJBOUKDTAUPCJG-XGWLTEMNSA-N 2 0 360.299 3.557 20 0 FHADRP Cc1cc(C)n2c(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)cnc2n1 ZINC000093844550 934180129 /nfs/dbraw/zinc/18/01/29/934180129.db2.gz OEQPARZGPIMFKT-SFHVURJKSA-N 2 0 369.557 3.823 20 0 FHADRP COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000535682234 934274245 /nfs/dbraw/zinc/27/42/45/934274245.db2.gz UPAFXSQNYPNCAB-UHFFFAOYSA-N 2 0 351.494 3.578 20 0 FHADRP C(CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)C[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000535724123 934311352 /nfs/dbraw/zinc/31/13/52/934311352.db2.gz JLEAAJXKXWLQRF-FGZHOGPDSA-N 2 0 364.574 3.552 20 0 FHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000934020836 934436377 /nfs/dbraw/zinc/43/63/77/934436377.db2.gz HSNPNXUBBOSANR-UHFFFAOYSA-N 2 0 373.541 3.792 20 0 FHADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535833985 934571975 /nfs/dbraw/zinc/57/19/75/934571975.db2.gz DQRGLZKXTXRKOQ-INIZCTEOSA-N 2 0 365.587 3.715 20 0 FHADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090456594 934642938 /nfs/dbraw/zinc/64/29/38/934642938.db2.gz GEEIXEIJCUZLBL-VHDGCEQUSA-N 2 0 355.295 3.736 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236629984 934755300 /nfs/dbraw/zinc/75/53/00/934755300.db2.gz JFNCQZWYBLTUFV-VQTJNVASSA-N 2 0 371.569 3.561 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000181670602 934797486 /nfs/dbraw/zinc/79/74/86/934797486.db2.gz LAYOLGSQJDATEP-UZKOGDIHSA-N 2 0 371.569 3.839 20 0 FHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277223715 934815385 /nfs/dbraw/zinc/81/53/85/934815385.db2.gz LOSPPZWWKLEXJF-ICSRJNTNSA-N 2 0 362.583 3.653 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236878729 934938128 /nfs/dbraw/zinc/93/81/28/934938128.db2.gz GTWSCLHMTDJNHN-KFKAGJAMSA-N 2 0 359.539 3.583 20 0 FHADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887222 934968567 /nfs/dbraw/zinc/96/85/67/934968567.db2.gz XFNZOLVZNVVVIX-LPHOPBHVSA-N 2 0 371.550 3.605 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000071954569 935079220 /nfs/dbraw/zinc/07/92/20/935079220.db2.gz JLYKKNHIDSHJQC-IBGZPJMESA-N 2 0 373.585 3.870 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000657311238 935086783 /nfs/dbraw/zinc/08/67/83/935086783.db2.gz IMBXVPPETTXKMJ-CQSZACIVSA-N 2 0 354.336 3.897 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc(C)s2)CC1 ZINC000105464730 935087912 /nfs/dbraw/zinc/08/79/12/935087912.db2.gz VPYPXUXWZCKNGB-CQSZACIVSA-N 2 0 362.518 3.583 20 0 FHADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(C4CCCC4)c3)ccn2)CC1 ZINC000657313162 935116553 /nfs/dbraw/zinc/11/65/53/935116553.db2.gz GVLDQBSSCDOZKR-UHFFFAOYSA-N 2 0 364.537 3.781 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657313579 935142253 /nfs/dbraw/zinc/14/22/53/935142253.db2.gz KHMPNQKXIJPQPS-ROUUACIJSA-N 2 0 352.526 3.597 20 0 FHADRP CCOc1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)ccc1OC(F)F ZINC000657315314 935153343 /nfs/dbraw/zinc/15/33/43/935153343.db2.gz QCAZLXLJQLWYAS-UHFFFAOYSA-N 2 0 374.391 3.557 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(F)c2OC(F)F)cc1 ZINC000657315955 935155517 /nfs/dbraw/zinc/15/55/17/935155517.db2.gz VWGUFWOOAAXJCE-UHFFFAOYSA-N 2 0 368.399 3.657 20 0 FHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000472145990 935192313 /nfs/dbraw/zinc/19/23/13/935192313.db2.gz PFJWSKYJAZJLLZ-UHFFFAOYSA-N 2 0 369.528 3.998 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000511066723 935210429 /nfs/dbraw/zinc/21/04/29/935210429.db2.gz WHXDZFYVNZOQLL-IBGZPJMESA-N 2 0 359.558 3.911 20 0 FHADRP CSC1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC[NH+](C)CC1 ZINC000582092521 935242435 /nfs/dbraw/zinc/24/24/35/935242435.db2.gz VHTDXPHXMHVPHA-INIZCTEOSA-N 2 0 369.372 3.853 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657353228 935321658 /nfs/dbraw/zinc/32/16/58/935321658.db2.gz HCHGBJXOZVCEOB-UHFFFAOYSA-N 2 0 373.932 3.658 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140533 935324243 /nfs/dbraw/zinc/32/42/43/935324243.db2.gz UWKPPBARSXMUJZ-LNLFQRSKSA-N 2 0 353.514 3.571 20 0 FHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000582176133 935375405 /nfs/dbraw/zinc/37/54/05/935375405.db2.gz DABWAOBYXFRKQJ-UHFFFAOYSA-N 2 0 369.484 3.848 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccnc(Cl)c1 ZINC000161198377 935446676 /nfs/dbraw/zinc/44/66/76/935446676.db2.gz BOEQMLHNQZRUMP-HNNXBMFYSA-N 2 0 359.901 3.543 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000582241524 935448916 /nfs/dbraw/zinc/44/89/16/935448916.db2.gz WOTIOGFJMWJXBP-AEFFLSMTSA-N 2 0 370.541 3.873 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657374646 935455636 /nfs/dbraw/zinc/45/56/36/935455636.db2.gz OZBIGENCZLEQMS-UHFFFAOYSA-N 2 0 364.493 3.808 20 0 FHADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719408 935479631 /nfs/dbraw/zinc/47/96/31/935479631.db2.gz AARNVTJOZLTWOB-FPOVZHCZSA-N 2 0 371.569 3.668 20 0 FHADRP C[NH+](C)CC(C)(C)C[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207285346 935510645 /nfs/dbraw/zinc/51/06/45/935510645.db2.gz HDJZDZXKRDCGMX-UHFFFAOYSA-N 2 0 355.567 3.543 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399448 935562369 /nfs/dbraw/zinc/56/23/69/935562369.db2.gz JBBFYAPMDBXRTA-VQTJNVASSA-N 2 0 356.535 3.883 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415631 935640371 /nfs/dbraw/zinc/64/03/71/935640371.db2.gz NEHVJALQWJXMDB-MJGOQNOKSA-N 2 0 352.526 3.688 20 0 FHADRP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(CC2CC2)n1 ZINC000657433254 935723183 /nfs/dbraw/zinc/72/31/83/935723183.db2.gz YWTTYFOCGOTFCO-WWNPGLIZSA-N 2 0 364.537 3.683 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC[NH+]1CC=CCC1)C1CCCCC1 ZINC000431418863 935740701 /nfs/dbraw/zinc/74/07/01/935740701.db2.gz NGVAZOYCESYNNT-UHFFFAOYSA-N 2 0 370.541 3.835 20 0 FHADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253046 935743641 /nfs/dbraw/zinc/74/36/41/935743641.db2.gz DXDQXGJFHZXCOA-GOSISDBHSA-N 2 0 363.571 3.837 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161292027 935777472 /nfs/dbraw/zinc/77/74/72/935777472.db2.gz KXLBMJWTTKKKAV-SFHVURJKSA-N 2 0 358.526 3.836 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161291897 935777558 /nfs/dbraw/zinc/77/75/58/935777558.db2.gz KXLBMJWTTKKKAV-GOSISDBHSA-N 2 0 358.526 3.836 20 0 FHADRP Cc1ncsc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000657448054 935789262 /nfs/dbraw/zinc/78/92/62/935789262.db2.gz GWFYHARENBTJAZ-MRXNPFEDSA-N 2 0 359.539 3.709 20 0 FHADRP Fc1ccc(Oc2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000657450410 935802188 /nfs/dbraw/zinc/80/21/88/935802188.db2.gz RSCWGKUXQGWRSA-UHFFFAOYSA-N 2 0 355.457 3.977 20 0 FHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000048745035 935845482 /nfs/dbraw/zinc/84/54/82/935845482.db2.gz IINUQRRMDCOQSH-SFHVURJKSA-N 2 0 364.493 3.872 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954836 935897650 /nfs/dbraw/zinc/89/76/50/935897650.db2.gz GETMUTNVCCNZLC-JOCHJYFZSA-N 2 0 365.521 3.969 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439970901 945134229 /nfs/dbraw/zinc/13/42/29/945134229.db2.gz ILQXDCIWZIUZPC-PGRDOPGGSA-N 2 0 369.553 3.735 20 0 FHADRP c1nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)sc1-c1ccccc1 ZINC000657535525 935973687 /nfs/dbraw/zinc/97/36/87/935973687.db2.gz OFURGJIFLYLPKO-UHFFFAOYSA-N 2 0 371.550 3.791 20 0 FHADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC000657537367 935976065 /nfs/dbraw/zinc/97/60/65/935976065.db2.gz IUYHATJZSBTGRY-FGZHOGPDSA-N 2 0 356.554 3.878 20 0 FHADRP FC(F)(F)c1cscc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538107 935978403 /nfs/dbraw/zinc/97/84/03/935978403.db2.gz YGXZZBOXJYMEBF-UHFFFAOYSA-N 2 0 362.461 3.748 20 0 FHADRP COc1cc(C[NH2+][C@@H](C)Cn2ccnc2)ccc1OCc1cccs1 ZINC000075784377 936019643 /nfs/dbraw/zinc/01/96/43/936019643.db2.gz LODFGOGWSOSBEM-HNNXBMFYSA-N 2 0 357.479 3.711 20 0 FHADRP c1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(C[NH+]2CCCCCC2)c1 ZINC000161385319 936050929 /nfs/dbraw/zinc/05/09/29/936050929.db2.gz STSTTYBOVOHSMU-UHFFFAOYSA-N 2 0 358.526 3.838 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000657593142 936068448 /nfs/dbraw/zinc/06/84/48/936068448.db2.gz DVPNSQOGMHPWNJ-LJQANCHMSA-N 2 0 364.411 3.562 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237472177 936068719 /nfs/dbraw/zinc/06/87/19/936068719.db2.gz YIEIFSMVFXYPCH-RTBURBONSA-N 2 0 371.569 3.561 20 0 FHADRP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597244 936073215 /nfs/dbraw/zinc/07/32/15/936073215.db2.gz REFVSQMHVUHFIF-HXUWFJFHSA-N 2 0 358.913 3.813 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000657597265 936073235 /nfs/dbraw/zinc/07/32/35/936073235.db2.gz RUKTVKCQSRYYLU-KVZIAJEVSA-N 2 0 370.459 3.712 20 0 FHADRP CC(C)COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657595329 936075424 /nfs/dbraw/zinc/07/54/24/936075424.db2.gz OXRWCGPIKMDHFD-QFIPXVFZSA-N 2 0 368.521 3.578 20 0 FHADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000237590799 936152132 /nfs/dbraw/zinc/15/21/32/936152132.db2.gz ZUIHWGKJCOLXOU-UWJYYQICSA-N 2 0 351.494 3.600 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264207 936153923 /nfs/dbraw/zinc/15/39/23/936153923.db2.gz VBFAHGSYHMGMOZ-MJGOQNOKSA-N 2 0 372.513 3.539 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000582905392 936278786 /nfs/dbraw/zinc/27/87/86/936278786.db2.gz NQLPHQZPFGMZOL-SFHVURJKSA-N 2 0 370.459 3.715 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)C1 ZINC000650706830 938288564 /nfs/dbraw/zinc/28/85/64/938288564.db2.gz TYRRFWVRRUSKLC-LXZKKBNFSA-N 2 0 363.552 3.590 20 0 FHADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3nc1N1CCCCC1)C2 ZINC000650709523 938290788 /nfs/dbraw/zinc/29/07/88/938290788.db2.gz DJNFQTCARAAXJS-REWPJTCUSA-N 2 0 364.537 3.786 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1OCc1ccncc1 ZINC000650711910 938296322 /nfs/dbraw/zinc/29/63/22/938296322.db2.gz ITYDUQONTBQLFF-FXAWDEMLSA-N 2 0 369.509 3.619 20 0 FHADRP [NH3+]CC1(CC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000650713385 938302008 /nfs/dbraw/zinc/30/20/08/938302008.db2.gz QZUYYQUPKUIKPB-UHFFFAOYSA-N 2 0 357.885 3.811 20 0 FHADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000052441483 938307331 /nfs/dbraw/zinc/30/73/31/938307331.db2.gz WCVSTHDEWOAULD-GOSISDBHSA-N 2 0 356.432 3.547 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722888 938310074 /nfs/dbraw/zinc/31/00/74/938310074.db2.gz DBAUOHCGGWOVBH-MNEFBYGVSA-N 2 0 359.901 3.749 20 0 FHADRP CN(c1ccccc1C[NH2+]CCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC000151063900 938313867 /nfs/dbraw/zinc/31/38/67/938313867.db2.gz ZHQAWROWXYIHQF-UHFFFAOYSA-N 2 0 367.537 3.523 20 0 FHADRP C[C@@H]1C[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@@H+]1C1CC1 ZINC000657774501 938314050 /nfs/dbraw/zinc/31/40/50/938314050.db2.gz ZHPZQBATJJWEDP-GIVPXCGWSA-N 2 0 353.554 3.504 20 0 FHADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000657774111 938317406 /nfs/dbraw/zinc/31/74/06/938317406.db2.gz XCOFSOUIGXHAGI-SFTDATJTSA-N 2 0 354.538 3.980 20 0 FHADRP c1ccc(C[NH+]2C[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774144 938317439 /nfs/dbraw/zinc/31/74/39/938317439.db2.gz XLPDKZXOVZQQTJ-BDTNDASRSA-N 2 0 353.554 3.505 20 0 FHADRP c1ccc(C[N@H+]2CC[C@@H](NC[C@@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630196 938326150 /nfs/dbraw/zinc/32/61/50/938326150.db2.gz MYJVYBSWQREMJV-IRLDBZIGSA-N 2 0 353.554 3.790 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000583693146 938360628 /nfs/dbraw/zinc/36/06/28/938360628.db2.gz AAXXFTHTMYUHIT-DZFGPLHGSA-N 2 0 372.944 3.761 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000583693147 938360773 /nfs/dbraw/zinc/36/07/73/938360773.db2.gz AAXXFTHTMYUHIT-IOMROCGXSA-N 2 0 372.944 3.761 20 0 FHADRP COCCC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000650745745 938372377 /nfs/dbraw/zinc/37/23/77/938372377.db2.gz MYIURFFICNXKDZ-INIZCTEOSA-N 2 0 355.320 3.635 20 0 FHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000583722138 938378106 /nfs/dbraw/zinc/37/81/06/938378106.db2.gz IYKZGAFXNANSRM-OYZXAGTJSA-N 2 0 368.468 3.780 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCOC2CCCCC2)CC1 ZINC000536129826 938411868 /nfs/dbraw/zinc/41/18/68/938411868.db2.gz FBKZKAINCGDOOH-UHFFFAOYSA-N 2 0 365.949 3.531 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)c(F)c1 ZINC000650756227 938412865 /nfs/dbraw/zinc/41/28/65/938412865.db2.gz XCDLTOPNTHTUSF-INIZCTEOSA-N 2 0 367.237 3.963 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)[C@@H](C)C1 ZINC000650761128 938440135 /nfs/dbraw/zinc/44/01/35/938440135.db2.gz SOJBHNHELHZYJT-JBACZVJFSA-N 2 0 359.558 3.530 20 0 FHADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000583920763 938487300 /nfs/dbraw/zinc/48/73/00/938487300.db2.gz GGSZBFPLQOUSAF-GFOJFJKKSA-N 2 0 369.578 3.818 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(OC(F)F)c1 ZINC000657812408 938511969 /nfs/dbraw/zinc/51/19/69/938511969.db2.gz AWQADMJNGNOHEH-UHFFFAOYSA-N 2 0 354.441 3.508 20 0 FHADRP FC(F)(F)COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812525 938513772 /nfs/dbraw/zinc/51/37/72/938513772.db2.gz RJIOJYFOYNBQHH-UHFFFAOYSA-N 2 0 356.432 3.839 20 0 FHADRP COc1ccc(OC(F)F)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657813243 938522665 /nfs/dbraw/zinc/52/26/65/938522665.db2.gz LOUBNUHGWQESGR-UHFFFAOYSA-N 2 0 354.441 3.508 20 0 FHADRP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](CC3CCSCC3)C[C@H]2CC1 ZINC001279645143 938525414 /nfs/dbraw/zinc/52/54/14/938525414.db2.gz PCZDKCLKXIBRHV-HDICACEKSA-N 2 0 365.612 3.739 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000584012312 938543077 /nfs/dbraw/zinc/54/30/77/938543077.db2.gz LIEIWUXUUOFBGQ-ZWCUEREDSA-N 2 0 372.940 3.916 20 0 FHADRP c1ccc(N2CCC([NH2+]CC[C@H]3CSc4ccccc4O3)CC2)nc1 ZINC000647321111 938580572 /nfs/dbraw/zinc/58/05/72/938580572.db2.gz XWIWGMYZWZNTJG-KRWDZBQOSA-N 2 0 355.507 3.583 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000657827662 938591445 /nfs/dbraw/zinc/59/14/45/938591445.db2.gz OXZJKTGYKRLGLM-JOCHJYFZSA-N 2 0 360.542 3.594 20 0 FHADRP CCOC1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000657829060 938608176 /nfs/dbraw/zinc/60/81/76/938608176.db2.gz REFBMCCMZXGFKG-UHFFFAOYSA-N 2 0 373.585 3.835 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657831610 938616310 /nfs/dbraw/zinc/61/63/10/938616310.db2.gz CSVZQUSMOAOJQV-SFHVURJKSA-N 2 0 371.491 3.642 20 0 FHADRP O=C(c1ccco1)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000159252412 938648313 /nfs/dbraw/zinc/64/83/13/938648313.db2.gz VJDMYUDZYWLORM-FQEVSTJZSA-N 2 0 373.541 3.519 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000151785191 938674088 /nfs/dbraw/zinc/67/40/88/938674088.db2.gz NINBATRQEQKEOS-LJQANCHMSA-N 2 0 368.521 3.621 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151791504 938676853 /nfs/dbraw/zinc/67/68/53/938676853.db2.gz KRPDWWALRZFNGD-INIZCTEOSA-N 2 0 373.566 3.782 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657837929 938680132 /nfs/dbraw/zinc/68/01/32/938680132.db2.gz XOQPWLKKBQJSQY-QFBILLFUSA-N 2 0 371.491 3.642 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000657837960 938680902 /nfs/dbraw/zinc/68/09/02/938680902.db2.gz LBFCAVBRLFHSFC-CVDCTZTESA-N 2 0 374.569 3.840 20 0 FHADRP Cn1cnc2cc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323271 938686851 /nfs/dbraw/zinc/68/68/51/938686851.db2.gz GLBRIUHNRZSIQB-SFTDATJTSA-N 2 0 360.505 3.527 20 0 FHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151817666 938687519 /nfs/dbraw/zinc/68/75/19/938687519.db2.gz MIDHLENOUQVQEY-SFHVURJKSA-N 2 0 368.521 3.717 20 0 FHADRP c1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000414964681 945197666 /nfs/dbraw/zinc/19/76/66/945197666.db2.gz DZXVQPLBNBHEQC-FQEVSTJZSA-N 2 0 361.493 3.556 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000151866415 938798356 /nfs/dbraw/zinc/79/83/56/938798356.db2.gz HVEVLTSKXKEJNO-XMMPIXPASA-N 2 0 366.549 3.524 20 0 FHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631908 938800059 /nfs/dbraw/zinc/80/00/59/938800059.db2.gz NKNLTNQRPFZDHB-LJQANCHMSA-N 2 0 365.521 3.832 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000708539719 938815071 /nfs/dbraw/zinc/81/50/71/938815071.db2.gz DXUNRKPWMBQXSR-OXQOHEQNSA-N 2 0 364.493 3.836 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000516745423 945210272 /nfs/dbraw/zinc/21/02/72/945210272.db2.gz ULFMCQNTFQJAKF-HKUYNNGSSA-N 2 0 357.523 3.528 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccsc2S1 ZINC000090937364 938879215 /nfs/dbraw/zinc/87/92/15/938879215.db2.gz SIXFHDUFJFLKJG-XJKSGUPXSA-N 2 0 363.552 3.799 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)ccn1 ZINC000090937164 938879293 /nfs/dbraw/zinc/87/92/93/938879293.db2.gz IIDPRGATZVAPIH-LJQANCHMSA-N 2 0 359.901 3.843 20 0 FHADRP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091266682 938898941 /nfs/dbraw/zinc/89/89/41/938898941.db2.gz NILXTYWJRCIXEL-SFHVURJKSA-N 2 0 357.464 3.630 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091287223 938899675 /nfs/dbraw/zinc/89/96/75/938899675.db2.gz JDWDXSXNSYOHMC-HSZRJFAPSA-N 2 0 366.553 3.706 20 0 FHADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccnc1 ZINC000091367835 938900603 /nfs/dbraw/zinc/90/06/03/938900603.db2.gz LFNQGHBSSTVRLO-JOCHJYFZSA-N 2 0 353.510 3.525 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541153 938903071 /nfs/dbraw/zinc/90/30/71/938903071.db2.gz IKDPKBUVZMEBAV-AVRDEDQJSA-N 2 0 360.505 3.934 20 0 FHADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C2 ZINC000415008350 945215044 /nfs/dbraw/zinc/21/50/44/945215044.db2.gz SKVFVIZACBQPFD-CEWLAPEOSA-N 2 0 368.496 3.675 20 0 FHADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092766501 938921559 /nfs/dbraw/zinc/92/15/59/938921559.db2.gz MUTDVIWOCIKWSV-SFHVURJKSA-N 2 0 371.500 3.943 20 0 FHADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(Cl)c1OC ZINC000093688747 938929366 /nfs/dbraw/zinc/92/93/66/938929366.db2.gz RWVHXTDCAGSYPA-UHFFFAOYSA-N 2 0 354.922 3.911 20 0 FHADRP CC(C)c1ncc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000093844204 938930942 /nfs/dbraw/zinc/93/09/42/938930942.db2.gz YKBKFBFRVQLZCJ-IAGOWNOFSA-N 2 0 365.587 3.978 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000431562199 938971169 /nfs/dbraw/zinc/97/11/69/938971169.db2.gz BROGSSXYHFWCSL-OALUTQOASA-N 2 0 371.550 3.694 20 0 FHADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458542 938987972 /nfs/dbraw/zinc/98/79/72/938987972.db2.gz ZNPPDBNKFUXUIM-FQEVSTJZSA-N 2 0 359.602 3.732 20 0 FHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2)cc1F ZINC000685458396 938988037 /nfs/dbraw/zinc/98/80/37/938988037.db2.gz CRUQPSVJDOAVLS-UHFFFAOYSA-N 2 0 355.501 3.562 20 0 FHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657897717 938992967 /nfs/dbraw/zinc/99/29/67/938992967.db2.gz IVMRLBXYTCBHBV-FQEVSTJZSA-N 2 0 362.583 3.933 20 0 FHADRP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000093364877 938995310 /nfs/dbraw/zinc/99/53/10/938995310.db2.gz BQJKEBOCTQIMRZ-IBGZPJMESA-N 2 0 359.539 3.901 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)C2CCCC2)CC1 ZINC000170985884 938996733 /nfs/dbraw/zinc/99/67/33/938996733.db2.gz ZYNWVWUTIWTPIB-UHFFFAOYSA-N 2 0 371.569 3.729 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000431616252 939006362 /nfs/dbraw/zinc/00/63/62/939006362.db2.gz DYZBVRGKVBATJL-QFIPXVFZSA-N 2 0 367.537 3.838 20 0 FHADRP COc1ccc(-c2n[nH]cc2CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564158 939015778 /nfs/dbraw/zinc/01/57/78/939015778.db2.gz HOBSPNDYWZIBCI-LJQANCHMSA-N 2 0 354.498 3.536 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000658068668 939021696 /nfs/dbraw/zinc/02/16/96/939021696.db2.gz HGMLDZRHGOYFIY-CYBMUJFWSA-N 2 0 356.432 3.646 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070834 939021849 /nfs/dbraw/zinc/02/18/49/939021849.db2.gz RSBCCYNDQILNLV-HNNXBMFYSA-N 2 0 368.924 3.891 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc2ccncc2s1 ZINC000658070461 939021925 /nfs/dbraw/zinc/02/19/25/939021925.db2.gz PBJNAGCZKLTDNP-HNNXBMFYSA-N 2 0 359.539 3.838 20 0 FHADRP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116632 939025084 /nfs/dbraw/zinc/02/50/84/939025084.db2.gz WOVSAUXQRWXOLW-DFQSSKMNSA-N 2 0 368.606 3.821 20 0 FHADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137061 939030392 /nfs/dbraw/zinc/03/03/92/939030392.db2.gz IRBXXWOCLRFUOE-ZNLUXHQJSA-N 2 0 350.506 3.900 20 0 FHADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658141479 939035081 /nfs/dbraw/zinc/03/50/81/939035081.db2.gz BMNPHESFYWAYEP-LAUBAEHRSA-N 2 0 354.494 3.503 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143140 939035859 /nfs/dbraw/zinc/03/58/59/939035859.db2.gz WXWHGARUWNQLIW-LAUBAEHRSA-N 2 0 361.489 3.652 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143460 939036573 /nfs/dbraw/zinc/03/65/73/939036573.db2.gz YJUWEDRRAVZIAR-WIYYLYMNSA-N 2 0 360.448 3.772 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137168 939040757 /nfs/dbraw/zinc/04/07/57/939040757.db2.gz JHVYIPCEPPNIIN-VXKWHMMOSA-N 2 0 354.469 3.633 20 0 FHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138729 939041794 /nfs/dbraw/zinc/04/17/94/939041794.db2.gz KCCJOPRDKXAOFC-VGOFRKELSA-N 2 0 356.485 3.503 20 0 FHADRP Cc1cc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139633 939043055 /nfs/dbraw/zinc/04/30/55/939043055.db2.gz QPYAVTYRELLACB-GMAHTHKFSA-N 2 0 368.496 3.942 20 0 FHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140827 939043538 /nfs/dbraw/zinc/04/35/38/939043538.db2.gz RDWXIKJZZDGBPP-HMFYCAOWSA-N 2 0 368.521 3.544 20 0 FHADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658165370 939053833 /nfs/dbraw/zinc/05/38/33/939053833.db2.gz IXTKVTDKHAHQNL-LJQANCHMSA-N 2 0 360.505 3.532 20 0 FHADRP c1cncc([C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CCC2)c1 ZINC000658167325 939055047 /nfs/dbraw/zinc/05/50/47/939055047.db2.gz RQPCOWJKXOZSDT-JOCHJYFZSA-N 2 0 350.510 3.820 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167439 939055072 /nfs/dbraw/zinc/05/50/72/939055072.db2.gz SEBLDJWXGXSRBN-QHCPKHFHSA-N 2 0 365.521 3.969 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000658303604 939095336 /nfs/dbraw/zinc/09/53/36/939095336.db2.gz BZBAAOXYKLLLJI-FPOVZHCZSA-N 2 0 371.569 3.573 20 0 FHADRP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319971 939110355 /nfs/dbraw/zinc/11/03/55/939110355.db2.gz KUAZZBGTDSIHRK-LEWJYISDSA-N 2 0 352.526 3.763 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000507426094 945228510 /nfs/dbraw/zinc/22/85/10/945228510.db2.gz XIWKPPGVKISZCK-INIZCTEOSA-N 2 0 367.331 3.984 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000658353903 939124110 /nfs/dbraw/zinc/12/41/10/939124110.db2.gz TWTKBIGGYFJQMZ-QGZVFWFLSA-N 2 0 352.526 3.860 20 0 FHADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000658357580 939126041 /nfs/dbraw/zinc/12/60/41/939126041.db2.gz ULCSCWCXXHRNDE-HXUWFJFHSA-N 2 0 357.498 3.942 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507459704 945249138 /nfs/dbraw/zinc/24/91/38/945249138.db2.gz GUIRTORZJWAVHS-FCJDFRRUSA-N 3 0 357.586 3.997 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507488328 945274416 /nfs/dbraw/zinc/27/44/16/945274416.db2.gz UHUQNJKVBPBHGJ-XQUALCHDSA-N 2 0 364.533 3.783 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(F)cc3F)CC2)c1 ZINC000518271207 945276954 /nfs/dbraw/zinc/27/69/54/945276954.db2.gz MBNGKLDZWUXJNJ-UHFFFAOYSA-N 2 0 373.491 3.965 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000511853900 945283307 /nfs/dbraw/zinc/28/33/07/945283307.db2.gz NEJZSOPYLVRHAU-UHFFFAOYSA-N 2 0 359.558 3.911 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472851 939997792 /nfs/dbraw/zinc/99/77/92/939997792.db2.gz HZSGCJRZLNFLPR-IRLDBZIGSA-N 2 0 367.493 3.592 20 0 FHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507508672 945288548 /nfs/dbraw/zinc/28/85/48/945288548.db2.gz KAAUVLCYSPJWHO-VXKWHMMOSA-N 2 0 369.553 3.571 20 0 FHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000375887735 940021576 /nfs/dbraw/zinc/02/15/76/940021576.db2.gz FCROODXRLUKUKV-HSZRJFAPSA-N 2 0 365.565 3.873 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177220431 940031945 /nfs/dbraw/zinc/03/19/45/940031945.db2.gz WDJMKIHEFGJUDA-QGZVFWFLSA-N 2 0 353.551 3.630 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220828 940032171 /nfs/dbraw/zinc/03/21/71/940032171.db2.gz FSBTWFRJDWXLLR-ROUUACIJSA-N 2 0 367.578 3.734 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CC2CCCCC2)CC1 ZINC000548933017 940096351 /nfs/dbraw/zinc/09/63/51/940096351.db2.gz DEQRUUKJOHBIEO-UHFFFAOYSA-N 2 0 371.569 3.588 20 0 FHADRP CCOc1cc(CN(C2CC2)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000647482517 940098386 /nfs/dbraw/zinc/09/83/86/940098386.db2.gz LNDDIKGVJNLFJN-UHFFFAOYSA-N 2 0 372.431 3.743 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000570048323 940104314 /nfs/dbraw/zinc/10/43/14/940104314.db2.gz QJAPAMRUYZMROI-KURKYZTESA-N 2 0 365.521 3.593 20 0 FHADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507520568 945299621 /nfs/dbraw/zinc/29/96/21/945299621.db2.gz RLKFOFNCZSCSJR-HAGHYFMRSA-N 2 0 356.535 3.590 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000415009376 945301030 /nfs/dbraw/zinc/30/10/30/945301030.db2.gz TYOKMJMGRYGLJW-KXBFYZLASA-N 2 0 359.901 3.921 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000647491861 940218149 /nfs/dbraw/zinc/21/81/49/940218149.db2.gz USWUIEUXAJPBFC-INIZCTEOSA-N 2 0 372.484 3.973 20 0 FHADRP CC[C@H]1C[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@H]1[NH3+] ZINC000647497729 940376699 /nfs/dbraw/zinc/37/66/99/940376699.db2.gz SVIQGNVNKBFOPM-PZJWPPBQSA-N 2 0 353.510 3.837 20 0 FHADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(C)cc1 ZINC000163497564 940446940 /nfs/dbraw/zinc/44/69/40/940446940.db2.gz JSMKVEVVJPYJLC-HXUWFJFHSA-N 2 0 359.558 3.662 20 0 FHADRP Cc1cccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1C ZINC000163499150 940451341 /nfs/dbraw/zinc/45/13/41/940451341.db2.gz UUNXNDAISZTQKD-SFHVURJKSA-N 2 0 359.558 3.581 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414108444 940510674 /nfs/dbraw/zinc/51/06/74/940510674.db2.gz LSEKQLSUEGDSEO-BBTUJRGHSA-N 2 0 353.510 3.521 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414111599 940591401 /nfs/dbraw/zinc/59/14/01/940591401.db2.gz MOTUDUUKHUYOLM-AZUAARDMSA-N 2 0 363.977 3.982 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414115339 940603420 /nfs/dbraw/zinc/60/34/20/940603420.db2.gz MVBVSEJWSFZXHY-QUCCMNQESA-N 2 0 350.934 3.660 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414125446 940626701 /nfs/dbraw/zinc/62/67/01/940626701.db2.gz QGBGLOLGQXIPQV-LJQANCHMSA-N 2 0 354.542 3.806 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000511503082 940670851 /nfs/dbraw/zinc/67/08/51/940670851.db2.gz FQJVFKIBLSBHQO-UHFFFAOYSA-N 2 0 354.542 3.935 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@H]1C ZINC000414151821 940681072 /nfs/dbraw/zinc/68/10/72/940681072.db2.gz WPQJEFKPPYKGBX-YJMBLLCNSA-N 2 0 356.554 3.939 20 0 FHADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414174677 940711982 /nfs/dbraw/zinc/71/19/82/940711982.db2.gz GSHVLWKSKZULMU-SIKLNZKXSA-N 2 0 353.510 3.696 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414178046 940717310 /nfs/dbraw/zinc/71/73/10/940717310.db2.gz KBILSPPXQHBPSO-QZTJIDSGSA-N 2 0 360.546 3.943 20 0 FHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657228 945358972 /nfs/dbraw/zinc/35/89/72/945358972.db2.gz OQNDTRUKFRLGPK-SFHVURJKSA-N 2 0 370.324 3.740 20 0 FHADRP C[C@@H]1[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000414307633 940934387 /nfs/dbraw/zinc/93/43/87/940934387.db2.gz PLHXJHBWBXJRCJ-VJBMBRPKSA-N 2 0 364.533 3.795 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000519367061 945361552 /nfs/dbraw/zinc/36/15/52/945361552.db2.gz MVVYITYMCXUKHT-KDURUIRLSA-N 2 0 374.573 3.591 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414313973 940947489 /nfs/dbraw/zinc/94/74/89/940947489.db2.gz ZDURFBZKFRXAHN-OIBXWCBGSA-N 2 0 364.533 3.795 20 0 FHADRP CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322910 940969618 /nfs/dbraw/zinc/96/96/18/940969618.db2.gz HWBFOJXREGAOJQ-IFMALSPDSA-N 2 0 371.569 3.832 20 0 FHADRP CC(C)CCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330070 940984767 /nfs/dbraw/zinc/98/47/67/940984767.db2.gz RJUSGOPQMJDKOD-SFHVURJKSA-N 2 0 359.558 3.688 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414333618 940993911 /nfs/dbraw/zinc/99/39/11/940993911.db2.gz ATHFXTMRZUJWLW-VCOUNFBDSA-N 2 0 367.512 3.905 20 0 FHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cs1 ZINC000414334861 940996911 /nfs/dbraw/zinc/99/69/11/940996911.db2.gz GJPASWWACYZPPT-MRXNPFEDSA-N 2 0 371.550 3.605 20 0 FHADRP CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414338413 941004255 /nfs/dbraw/zinc/00/42/55/941004255.db2.gz KMSRAMCSSTYYKD-ZWKOTPCHSA-N 2 0 359.558 3.688 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698714 941029880 /nfs/dbraw/zinc/02/98/80/941029880.db2.gz BQKMVKPCKHUTTB-IRLDBZIGSA-N 2 0 367.537 3.783 20 0 FHADRP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000647549103 941070763 /nfs/dbraw/zinc/07/07/63/941070763.db2.gz ITLSHNFJNAGFPN-IRFCIJBXSA-N 2 0 354.469 3.882 20 0 FHADRP Fc1ccccc1OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647549655 941071438 /nfs/dbraw/zinc/07/14/38/941071438.db2.gz LJJHUEGNMNQFJR-XCJLJZCSSA-N 2 0 354.469 3.924 20 0 FHADRP c1cc2c(cc1CCC[NH2+]C1CC[NH+](C3CCCCC3)CC1)OCCO2 ZINC000414383622 941074538 /nfs/dbraw/zinc/07/45/38/941074538.db2.gz UKPDLWZVQMBUHI-UHFFFAOYSA-N 2 0 358.526 3.777 20 0 FHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369527 941093057 /nfs/dbraw/zinc/09/30/57/941093057.db2.gz FAXLPJNDLZDRCY-UHOSZYNNSA-N 2 0 364.493 3.834 20 0 FHADRP C[N@@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 ZINC000423527025 941124629 /nfs/dbraw/zinc/12/46/29/941124629.db2.gz LXGKAJYFOYOYCM-PYLVQQMBSA-N 2 0 353.554 3.565 20 0 FHADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000659251832 941133285 /nfs/dbraw/zinc/13/32/85/941133285.db2.gz LWZHOYVQIQNAJZ-IBGZPJMESA-N 2 0 369.553 3.592 20 0 FHADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000311202200 941140057 /nfs/dbraw/zinc/14/00/57/941140057.db2.gz IDXFEMMYYTYVLA-OAHLLOKOSA-N 2 0 355.567 3.969 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000181392703 941150297 /nfs/dbraw/zinc/15/02/97/941150297.db2.gz CXXGTCPGWCNTBT-SFHVURJKSA-N 2 0 372.944 3.988 20 0 FHADRP C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000178367996 941237641 /nfs/dbraw/zinc/23/76/41/941237641.db2.gz HZPFVYJGIUFMMB-QFBILLFUSA-N 2 0 369.475 3.656 20 0 FHADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000178741932 941300323 /nfs/dbraw/zinc/30/03/23/941300323.db2.gz YNHKNBQDGJJLNU-QFIPXVFZSA-N 2 0 363.505 3.716 20 0 FHADRP CC(C)c1nnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000892752314 941516508 /nfs/dbraw/zinc/51/65/08/941516508.db2.gz GEZYOQRRRKFIRH-UHFFFAOYSA-N 2 0 350.557 3.725 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000549142708 941522601 /nfs/dbraw/zinc/52/26/01/941522601.db2.gz XOLCAYVUANCKCH-RTWAWAEBSA-N 2 0 358.526 3.880 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415016942 941543172 /nfs/dbraw/zinc/54/31/72/941543172.db2.gz QVXYMCFHARLCHV-JTQLQIEISA-N 2 0 351.235 3.658 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000415017248 941543260 /nfs/dbraw/zinc/54/32/60/941543260.db2.gz RSOLOVGONAXPTA-AWEZNQCLSA-N 2 0 354.420 3.557 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013614 941546997 /nfs/dbraw/zinc/54/69/97/941546997.db2.gz YOEKOVRYASSXRE-ZFWWWQNUSA-N 2 0 365.930 3.983 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000415023995 941547475 /nfs/dbraw/zinc/54/74/75/941547475.db2.gz NVZJQBFOLLWDLY-MRXNPFEDSA-N 2 0 352.457 3.895 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000415028706 941552811 /nfs/dbraw/zinc/55/28/11/941552811.db2.gz DDCRABHOXFWOLB-SJLPKXTDSA-N 2 0 350.466 3.658 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000415031889 941555812 /nfs/dbraw/zinc/55/58/12/941555812.db2.gz HJOAIFJTEODHCX-MJGOQNOKSA-N 2 0 366.534 3.877 20 0 FHADRP CCOc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415037849 941558648 /nfs/dbraw/zinc/55/86/48/941558648.db2.gz MQLDQQBEUGMQSW-QUCCMNQESA-N 2 0 354.494 3.881 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056579 941576109 /nfs/dbraw/zinc/57/61/09/941576109.db2.gz SLRZDLGYGXMIDI-DENIHFKCSA-N 2 0 351.494 3.625 20 0 FHADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000415068188 941583844 /nfs/dbraw/zinc/58/38/44/941583844.db2.gz QMZJKEBJCGULTR-QHCPKHFHSA-N 2 0 351.538 3.546 20 0 FHADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415076827 941587436 /nfs/dbraw/zinc/58/74/36/941587436.db2.gz BNOAMRZVLQMRTO-KGLIPLIRSA-N 2 0 357.325 3.629 20 0 FHADRP [NH3+]CC1CCC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000415087016 941596330 /nfs/dbraw/zinc/59/63/30/941596330.db2.gz SWGZUIXXTYEGKL-UYJHFMRCSA-N 2 0 353.913 3.551 20 0 FHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415097801 941602769 /nfs/dbraw/zinc/60/27/69/941602769.db2.gz DNOUUTCDGLDIBN-BEFAXECRSA-N 2 0 369.475 3.790 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000415098921 941602798 /nfs/dbraw/zinc/60/27/98/941602798.db2.gz GDAAYVXPNHNKBL-RCCFBDPRSA-N 2 0 363.343 3.991 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000415102290 941604402 /nfs/dbraw/zinc/60/44/02/941604402.db2.gz DJXMMQGDQHZAAR-GDBMZVCRSA-N 2 0 373.360 3.537 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)ccn2)cc1 ZINC000415112417 941615069 /nfs/dbraw/zinc/61/50/69/941615069.db2.gz RXDNQIRZIGTCRU-IAGOWNOFSA-N 2 0 355.482 3.750 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415120363 941616446 /nfs/dbraw/zinc/61/64/46/941616446.db2.gz GSPBJNPAQFRRHI-GCJKJVERSA-N 2 0 354.494 3.567 20 0 FHADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000415121715 941618149 /nfs/dbraw/zinc/61/81/49/941618149.db2.gz NIYSSQHNGUNGLA-UHFFFAOYSA-N 2 0 356.341 3.817 20 0 FHADRP NC1(C[NH2+]C/C=C\c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415123902 941619954 /nfs/dbraw/zinc/61/99/54/941619954.db2.gz BLUCGCHKFDIREW-DAXSKMNVSA-N 2 0 371.475 3.561 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134890 941621922 /nfs/dbraw/zinc/62/19/22/941621922.db2.gz WHHOSENWFBLWQV-WBVHZDCISA-N 2 0 360.523 3.752 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129439 941622595 /nfs/dbraw/zinc/62/25/95/941622595.db2.gz UWZLTAPYMXIQPU-QZTJIDSGSA-N 2 0 368.468 3.623 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131528 941623841 /nfs/dbraw/zinc/62/38/41/941623841.db2.gz SOGHNSGPUSURCF-XLIONFOSSA-N 2 0 354.494 3.691 20 0 FHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000892875974 941641813 /nfs/dbraw/zinc/64/18/13/941641813.db2.gz LQASLBHTJRIPAJ-UHFFFAOYSA-N 2 0 358.530 3.701 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000729318303 941716781 /nfs/dbraw/zinc/71/67/81/941716781.db2.gz NHHBTQLLNOCGMQ-FQEVSTJZSA-N 2 0 371.569 3.943 20 0 FHADRP CC1CC[NH+]([C@@H](CNC(=O)CCCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000729330165 941718386 /nfs/dbraw/zinc/71/83/86/941718386.db2.gz JSAVAVCXLIAQOB-QFIPXVFZSA-N 2 0 371.569 3.842 20 0 FHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000549246445 941733573 /nfs/dbraw/zinc/73/35/73/941733573.db2.gz XFVOFAYIUFIMNF-QZTJIDSGSA-N 2 0 369.557 3.732 20 0 FHADRP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513214909 941784987 /nfs/dbraw/zinc/78/49/87/941784987.db2.gz KUOQARZOLJBDTA-GASCZTMLSA-N 2 0 362.481 3.831 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000513235207 941790405 /nfs/dbraw/zinc/79/04/05/941790405.db2.gz MFBKLSPKWHLUFX-UHFFFAOYSA-N 2 0 359.558 3.722 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4F)s3)C2)CC1 ZINC000093132652 941803189 /nfs/dbraw/zinc/80/31/89/941803189.db2.gz VPRBYQNFGITLTC-QGZVFWFLSA-N 2 0 373.541 3.766 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4cccc(F)c4C)o3)C2)CC1 ZINC000093132776 941808005 /nfs/dbraw/zinc/80/80/05/941808005.db2.gz JROKWTFPXVOZDF-GOSISDBHSA-N 2 0 371.500 3.606 20 0 FHADRP C[NH+](C)CCCC(C)(C)[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695276194 941811129 /nfs/dbraw/zinc/81/11/29/941811129.db2.gz WQAWIVNIXQQIJS-UHFFFAOYSA-N 2 0 355.567 3.734 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)CC1 ZINC000093132874 941843208 /nfs/dbraw/zinc/84/32/08/941843208.db2.gz WGTPKPOZKKZYDE-GOSISDBHSA-N 2 0 373.541 3.766 20 0 FHADRP CCOCc1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000377696990 941913764 /nfs/dbraw/zinc/91/37/64/941913764.db2.gz JNMOKEGPOFXBND-UHFFFAOYSA-N 2 0 369.509 3.728 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000415580170 941922127 /nfs/dbraw/zinc/92/21/27/941922127.db2.gz RBIBOHIIQIEFGT-HXUWFJFHSA-N 2 0 368.525 3.736 20 0 FHADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415781259 942048970 /nfs/dbraw/zinc/04/89/70/942048970.db2.gz CUCYDUWHEJZLIO-SFTDATJTSA-N 2 0 366.509 3.619 20 0 FHADRP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000513655725 942058153 /nfs/dbraw/zinc/05/81/53/942058153.db2.gz NYLFQFGOXHCEIC-QHAWAJNXSA-N 2 0 368.525 3.591 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1Br ZINC000513671579 942066418 /nfs/dbraw/zinc/06/64/18/942066418.db2.gz CZRPETLJGNKBRA-LRVUVFPRSA-N 2 0 355.320 3.981 20 0 FHADRP CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414338410 942070109 /nfs/dbraw/zinc/07/01/09/942070109.db2.gz KMSRAMCSSTYYKD-QZTJIDSGSA-N 2 0 359.558 3.688 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659872946 942085483 /nfs/dbraw/zinc/08/54/83/942085483.db2.gz HMFWLBLYOBVANB-UHFFFAOYSA-N 2 0 360.505 3.974 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccccc2C[NH2+]C)c1 ZINC000415898507 942126067 /nfs/dbraw/zinc/12/60/67/942126067.db2.gz HNJWFCGKPFUTCB-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415905907 942133792 /nfs/dbraw/zinc/13/37/92/942133792.db2.gz JDBYDUSHAWTVHZ-UWJYYQICSA-N 2 0 366.509 3.581 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000501938181 942135973 /nfs/dbraw/zinc/13/59/73/942135973.db2.gz KFERDPWZEQTJAF-AWEZNQCLSA-N 2 0 374.392 3.577 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415912478 942146081 /nfs/dbraw/zinc/14/60/81/942146081.db2.gz LLMQBWWZSKLUCC-PXNSSMCTSA-N 2 0 366.509 3.581 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000415932013 942158338 /nfs/dbraw/zinc/15/83/38/942158338.db2.gz NDICVMUOSKYYMF-UHFFFAOYSA-N 2 0 360.546 3.770 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000415936854 942168451 /nfs/dbraw/zinc/16/84/51/942168451.db2.gz XCMHEJJXDIMFHJ-LJQANCHMSA-N 2 0 358.530 3.715 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000415938181 942169384 /nfs/dbraw/zinc/16/93/84/942169384.db2.gz AKDMLJFCVUHDGI-LJQANCHMSA-N 2 0 372.557 3.772 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000415943734 942176597 /nfs/dbraw/zinc/17/65/97/942176597.db2.gz MSQXRWRJGJTEBW-UHFFFAOYSA-N 2 0 372.557 3.916 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1)CC(C)C ZINC000415945448 942178926 /nfs/dbraw/zinc/17/89/26/942178926.db2.gz DABPAEAHJAMKJT-UHFFFAOYSA-N 2 0 360.546 3.757 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415945877 942179139 /nfs/dbraw/zinc/17/91/39/942179139.db2.gz RYILWNWWTAFTRI-DYESRHJHSA-N 2 0 366.509 3.581 20 0 FHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431855941 942191746 /nfs/dbraw/zinc/19/17/46/942191746.db2.gz CTPKVIQDFXHZNM-FCHUYYIVSA-N 2 0 371.569 3.622 20 0 FHADRP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000502048402 942198557 /nfs/dbraw/zinc/19/85/57/942198557.db2.gz XQYZORRJPXBYRO-FPOVZHCZSA-N 2 0 357.542 3.571 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415976615 942220406 /nfs/dbraw/zinc/22/04/06/942220406.db2.gz WHEHRHLEFDETNF-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040455 942270424 /nfs/dbraw/zinc/27/04/24/942270424.db2.gz ZYIGKXDYMWCMLH-ZWQIFLOQSA-N 2 0 370.459 3.992 20 0 FHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000501053968 942290201 /nfs/dbraw/zinc/29/02/01/942290201.db2.gz PCOMPDAYCAZPKZ-NRFANRHFSA-N 2 0 374.573 3.544 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000414497476 942344502 /nfs/dbraw/zinc/34/45/02/942344502.db2.gz KVFUWKMQCVZCSP-UHFFFAOYSA-N 2 0 366.553 3.811 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(CNc3cc[nH+]c4cc(F)ccc34)cc2)C1 ZINC000664239935 942383516 /nfs/dbraw/zinc/38/35/16/942383516.db2.gz UDQXPJHXNRZFQG-SFHVURJKSA-N 2 0 351.425 3.553 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(COC)CC2)CC1 ZINC000419820022 942397415 /nfs/dbraw/zinc/39/74/15/942397415.db2.gz NUDMAZHDQRTFQA-UHFFFAOYSA-N 2 0 359.558 3.513 20 0 FHADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513713563 942430520 /nfs/dbraw/zinc/43/05/20/942430520.db2.gz QCTMBTTYFQVFMG-VXSCBNMQSA-N 2 0 371.569 3.572 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501358974 942432285 /nfs/dbraw/zinc/43/22/85/942432285.db2.gz BVYNVLISQTYFBS-BHIFYINESA-N 2 0 371.569 3.666 20 0 FHADRP Fc1ccc(C(C[NH2+]CCCC[NH+]2CCOCC2)c2ccc(F)cc2)cc1 ZINC000501380728 942451558 /nfs/dbraw/zinc/45/15/58/942451558.db2.gz HEWXWGOPODBCTC-UHFFFAOYSA-N 2 0 374.475 3.799 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000414826059 942459051 /nfs/dbraw/zinc/45/90/51/942459051.db2.gz IBWXBOHVESCSDE-QGZVFWFLSA-N 2 0 356.466 3.585 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cc1OC ZINC000502466555 942466487 /nfs/dbraw/zinc/46/64/87/942466487.db2.gz XCZGCAYZSCBYIW-MRXNPFEDSA-N 2 0 374.500 3.934 20 0 FHADRP c1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414827200 942474823 /nfs/dbraw/zinc/47/48/23/942474823.db2.gz GVNYFDDYNGLKNX-IBGZPJMESA-N 2 0 360.505 3.688 20 0 FHADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406589 942480142 /nfs/dbraw/zinc/48/01/42/942480142.db2.gz FODDIWDAGFNDFS-DNVCBOLYSA-N 2 0 356.539 3.597 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501468687 942489801 /nfs/dbraw/zinc/48/98/01/942489801.db2.gz CLDMXQVYCFMSCB-UNMCSNQZSA-N 2 0 367.537 3.881 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374099 942525749 /nfs/dbraw/zinc/52/57/49/942525749.db2.gz NKNHUGOLKUHTBC-ZEQRLZLVSA-N 2 0 369.597 3.989 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000501534694 942535071 /nfs/dbraw/zinc/53/50/71/942535071.db2.gz UZBMOHJIFUUSGS-RTBURBONSA-N 2 0 374.573 3.591 20 0 FHADRP O=C(Nc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000414839884 942552877 /nfs/dbraw/zinc/55/28/77/942552877.db2.gz WSKCYCKRAZMSBG-HNNXBMFYSA-N 2 0 357.885 3.682 20 0 FHADRP Cc1cc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)c2cc(Cl)cc(C)c2[nH+]1 ZINC000420265701 942589981 /nfs/dbraw/zinc/58/99/81/942589981.db2.gz FDWCPNPGAQNMPI-HNNXBMFYSA-N 2 0 359.901 3.697 20 0 FHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000893206514 942594349 /nfs/dbraw/zinc/59/43/49/942594349.db2.gz FUOKXPSHCNZBQW-HNWQEHLKSA-N 2 0 358.526 3.527 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295872 942598096 /nfs/dbraw/zinc/59/80/96/942598096.db2.gz BBVZVIWWANSQGQ-LAUBAEHRSA-N 2 0 370.493 3.592 20 0 FHADRP COc1ccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)Cc2ccsc2)cc1OC ZINC000420295231 942598387 /nfs/dbraw/zinc/59/83/87/942598387.db2.gz BYXCONZTMNDHBI-GOSISDBHSA-N 2 0 374.550 3.810 20 0 FHADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000513912865 942604141 /nfs/dbraw/zinc/60/41/41/942604141.db2.gz ITQVADCQVSTTAI-NRFANRHFSA-N 2 0 371.569 3.524 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000420299524 942610125 /nfs/dbraw/zinc/61/01/25/942610125.db2.gz UAUOWDASKQWBCI-KRWDZBQOSA-N 2 0 363.505 3.509 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000420299529 942610314 /nfs/dbraw/zinc/61/03/14/942610314.db2.gz UAUOWDASKQWBCI-QGZVFWFLSA-N 2 0 363.505 3.509 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000420300992 942611124 /nfs/dbraw/zinc/61/11/24/942611124.db2.gz IHPFAQNYCHGSDM-DYESRHJHSA-N 2 0 370.493 3.592 20 0 FHADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305876 942612939 /nfs/dbraw/zinc/61/29/39/942612939.db2.gz GXPBGIDFRVAVPZ-UZLBHIALSA-N 2 0 355.457 3.566 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000420323849 942614233 /nfs/dbraw/zinc/61/42/33/942614233.db2.gz BOZPZIYGBHRGMA-IRLDBZIGSA-N 2 0 352.478 3.807 20 0 FHADRP OCCC[N@H+](CC[C@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309436 942615368 /nfs/dbraw/zinc/61/53/68/942615368.db2.gz TWONMJYDOXUYDJ-HXUWFJFHSA-N 2 0 352.522 3.850 20 0 FHADRP COc1ccc([C@H](C[NH3+])CN(C)Cc2csc(Br)c2)cc1 ZINC000420315344 942618406 /nfs/dbraw/zinc/61/84/06/942618406.db2.gz LSCSXDRFBIXQMR-CQSZACIVSA-N 2 0 369.328 3.694 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321240 942621248 /nfs/dbraw/zinc/62/12/48/942621248.db2.gz QXUUHBKVUWJTMW-ZWKOTPCHSA-N 2 0 359.539 3.690 20 0 FHADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341182 942624691 /nfs/dbraw/zinc/62/46/91/942624691.db2.gz NYDBYYGKHHQIEL-OXJNMPFZSA-N 2 0 351.494 3.631 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346216 942628083 /nfs/dbraw/zinc/62/80/83/942628083.db2.gz XTRHGPYSKCOWSK-JXFKEZNVSA-N 2 0 357.542 3.602 20 0 FHADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327926 942630126 /nfs/dbraw/zinc/63/01/26/942630126.db2.gz LSWXBKUKPFMAQX-FVQBIDKESA-N 2 0 360.889 3.773 20 0 FHADRP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334453 942632043 /nfs/dbraw/zinc/63/20/43/942632043.db2.gz GJXPZVDUKOVJLY-RTBURBONSA-N 2 0 354.498 3.682 20 0 FHADRP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420334025 942632127 /nfs/dbraw/zinc/63/21/27/942632127.db2.gz KUNLASQUMUNJBL-HDICACEKSA-N 2 0 357.542 3.803 20 0 FHADRP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334449 942632166 /nfs/dbraw/zinc/63/21/66/942632166.db2.gz GJXPZVDUKOVJLY-OALUTQOASA-N 2 0 354.498 3.682 20 0 FHADRP CCc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000414452206 942634720 /nfs/dbraw/zinc/63/47/20/942634720.db2.gz MBQFQHYMCFUKHR-UHFFFAOYSA-N 2 0 350.510 3.527 20 0 FHADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647939042 942643349 /nfs/dbraw/zinc/64/33/49/942643349.db2.gz ZOXLGAXLFUIPRV-FXAWDEMLSA-N 2 0 351.494 3.741 20 0 FHADRP Cc1cc(OCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C(C)C ZINC000420380765 942647538 /nfs/dbraw/zinc/64/75/38/942647538.db2.gz CEPURMNDAVFQTP-UGKGYDQZSA-N 2 0 360.542 3.716 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)cc1 ZINC000434424965 942652564 /nfs/dbraw/zinc/65/25/64/942652564.db2.gz LXFKJAUFUGSFRY-OAQYLSRUSA-N 2 0 357.542 3.665 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000420391037 942652793 /nfs/dbraw/zinc/65/27/93/942652793.db2.gz NSJGPIAMLNXTHC-PZJWPPBQSA-N 2 0 358.526 3.533 20 0 FHADRP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000420393194 942653728 /nfs/dbraw/zinc/65/37/28/942653728.db2.gz BUSRVKWBFBSKAE-SNVBAGLBSA-N 2 0 354.317 3.880 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000420396322 942654495 /nfs/dbraw/zinc/65/44/95/942654495.db2.gz VQHGEKIPXGLCHD-JTHBVZDNSA-N 2 0 352.522 3.991 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000420397276 942655018 /nfs/dbraw/zinc/65/50/18/942655018.db2.gz XAKGVRVPUYYEDR-PXNSSMCTSA-N 2 0 366.933 3.846 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405571 942662810 /nfs/dbraw/zinc/66/28/10/942662810.db2.gz TYOAIQHPKYIMKS-IFMALSPDSA-N 2 0 363.505 3.903 20 0 FHADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420407715 942664420 /nfs/dbraw/zinc/66/44/20/942664420.db2.gz OOCOKSFWDAXBOQ-ZWKOTPCHSA-N 2 0 367.493 3.724 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409527 942665199 /nfs/dbraw/zinc/66/51/99/942665199.db2.gz XESHWCGJWBTYSZ-SUMWQHHRSA-N 2 0 370.324 3.786 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647902091 942665620 /nfs/dbraw/zinc/66/56/20/942665620.db2.gz ZWWSJSQCWHCOED-IFMALSPDSA-N 2 0 363.505 3.903 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647902094 942666205 /nfs/dbraw/zinc/66/62/05/942666205.db2.gz ZWWSJSQCWHCOED-UNMCSNQZSA-N 2 0 363.505 3.903 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000502705727 942673080 /nfs/dbraw/zinc/67/30/80/942673080.db2.gz BLGWVPARRQAGAA-SFHVURJKSA-N 2 0 355.526 3.885 20 0 FHADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cc1OC ZINC000502708421 942674338 /nfs/dbraw/zinc/67/43/38/942674338.db2.gz XPRQKJJSZLXFCU-PMACEKPBSA-N 2 0 360.542 3.975 20 0 FHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cccnc2OC)ccc1OC ZINC000182349316 942720427 /nfs/dbraw/zinc/72/04/27/942720427.db2.gz GGGXGQPEMLMJGH-MRXNPFEDSA-N 2 0 357.498 3.791 20 0 FHADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085061 942735556 /nfs/dbraw/zinc/73/55/56/942735556.db2.gz SNHKZDYRIDIXHY-MTQWCTHYSA-N 2 0 361.599 3.984 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3cc(C)ccn3)CC2)c1 ZINC000514087375 942738900 /nfs/dbraw/zinc/73/89/00/942738900.db2.gz GYMGICDMCAAIOJ-NRFANRHFSA-N 2 0 366.553 3.951 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H]4CCC[C@@H]43)cc2)C1 ZINC000514090689 942741371 /nfs/dbraw/zinc/74/13/71/942741371.db2.gz WFJQPIPBNMGCCH-HWHRFOGPSA-N 3 0 355.570 3.881 20 0 FHADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414847497 942764101 /nfs/dbraw/zinc/76/41/01/942764101.db2.gz VWUBWEASRQHGBQ-INIZCTEOSA-N 2 0 354.523 3.605 20 0 FHADRP CN(CC[N@H+](C)C(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000514118819 942767616 /nfs/dbraw/zinc/76/76/16/942767616.db2.gz NMQKVMYUJNLCAI-UHFFFAOYSA-N 2 0 351.538 3.734 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@@H]2CC[NH+](C)C2)c1 ZINC000664428648 942780472 /nfs/dbraw/zinc/78/04/72/942780472.db2.gz NZCNXUQTQNBYQO-OAQYLSRUSA-N 2 0 374.573 3.544 20 0 FHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182883367 942801436 /nfs/dbraw/zinc/80/14/36/942801436.db2.gz WPJGKBHMRLWVFX-RDTXWAMCSA-N 2 0 369.525 3.604 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1Cl ZINC000421823857 942833509 /nfs/dbraw/zinc/83/35/09/942833509.db2.gz FPHCGJJXELNHDT-GOSISDBHSA-N 2 0 372.944 3.988 20 0 FHADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1C[NH+]1CCCCC1 ZINC000378512201 942845744 /nfs/dbraw/zinc/84/57/44/942845744.db2.gz JVFDUYQVRZHCPC-UZLBHIALSA-N 2 0 368.525 3.612 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502919064 942856120 /nfs/dbraw/zinc/85/61/20/942856120.db2.gz OIGFUWGELDSIEI-CEXWTWQISA-N 2 0 374.573 3.535 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000273168941 942901057 /nfs/dbraw/zinc/90/10/57/942901057.db2.gz DQJJBAWCRVNQHP-MRXNPFEDSA-N 2 0 363.571 3.649 20 0 FHADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000503004326 942905561 /nfs/dbraw/zinc/90/55/61/942905561.db2.gz JAGUDDSMKBSPGV-IYBDPMFKSA-N 2 0 369.347 3.737 20 0 FHADRP c1nc(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)n2c1CCCC2 ZINC000434744700 942935955 /nfs/dbraw/zinc/93/59/55/942935955.db2.gz ISGLZDWQNODHDD-UHFFFAOYSA-N 2 0 351.494 3.576 20 0 FHADRP C[NH+](C)CC1(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CCCC1 ZINC000183951682 942944991 /nfs/dbraw/zinc/94/49/91/942944991.db2.gz XJQBWPNAIVNOJS-UHFFFAOYSA-N 2 0 353.551 3.534 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@@H]12 ZINC000503078929 942960814 /nfs/dbraw/zinc/96/08/14/942960814.db2.gz BKKVRRFFGZWNSN-ZWJSTQBLSA-N 2 0 363.590 3.655 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000503137139 943004282 /nfs/dbraw/zinc/00/42/82/943004282.db2.gz HFAWUEYTPKLZFG-LJQANCHMSA-N 2 0 374.573 3.537 20 0 FHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCNCc1cccnc1 ZINC000414856530 943005048 /nfs/dbraw/zinc/00/50/48/943005048.db2.gz AVACHBJCHLVFEY-HNNXBMFYSA-N 2 0 351.416 3.801 20 0 FHADRP Cc1cc(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc(C)n1 ZINC000422218053 943059137 /nfs/dbraw/zinc/05/91/37/943059137.db2.gz XLBICXCAIHVPSQ-UHFFFAOYSA-N 2 0 366.509 3.504 20 0 FHADRP C[C@@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414863022 943090322 /nfs/dbraw/zinc/09/03/22/943090322.db2.gz XUOVDUDGFNJTBT-ZYHUDNBSSA-N 2 0 365.237 3.946 20 0 FHADRP C[NH+](C)[C@H]1CCOc2c(NC3CC[NH+](Cc4ccccn4)CC3)cccc21 ZINC000435025816 943110271 /nfs/dbraw/zinc/11/02/71/943110271.db2.gz XPUYKSVULHEKEB-NRFANRHFSA-N 2 0 366.509 3.543 20 0 FHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655590 943110948 /nfs/dbraw/zinc/11/09/48/943110948.db2.gz DIBXEDFIUQTNRA-ICSRJNTNSA-N 2 0 360.505 3.768 20 0 FHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414654369 943113547 /nfs/dbraw/zinc/11/35/47/943113547.db2.gz JBQAVMDHADOSOH-LBPRGKRZSA-N 2 0 351.313 3.958 20 0 FHADRP C[NH+](C)[C@@H]1CCOc2c(NC3CC[NH+](CCC(F)(F)F)CC3)cccc21 ZINC000435031602 943114625 /nfs/dbraw/zinc/11/46/25/943114625.db2.gz CBUWYWVWVZTKBS-QGZVFWFLSA-N 2 0 371.447 3.901 20 0 FHADRP CCCCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1OC ZINC000435057205 943129025 /nfs/dbraw/zinc/12/90/25/943129025.db2.gz OXIAKWLLOSDTHW-LJQANCHMSA-N 2 0 356.466 3.922 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)c1 ZINC000272523781 943171152 /nfs/dbraw/zinc/17/11/52/943171152.db2.gz IFZHWOVMBWDDAJ-HNNXBMFYSA-N 2 0 351.922 3.687 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674911 943200304 /nfs/dbraw/zinc/20/03/04/943200304.db2.gz SJPYTFYPDHVPQZ-RYGJVYDSSA-N 2 0 358.917 3.702 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSc1cccc(Cl)c1 ZINC000660115998 943209828 /nfs/dbraw/zinc/20/98/28/943209828.db2.gz GCDDGQOIFPHHLS-KBAYOESNSA-N 2 0 354.947 3.616 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OCc1ccccc1 ZINC000414675077 943212458 /nfs/dbraw/zinc/21/24/58/943212458.db2.gz QZEKNDPMFWIVOA-KRWDZBQOSA-N 2 0 354.494 3.833 20 0 FHADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422636174 943215740 /nfs/dbraw/zinc/21/57/40/943215740.db2.gz MOCKVJNSPDNZFR-QWFCFKBJSA-N 2 0 365.521 3.987 20 0 FHADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422701781 943238546 /nfs/dbraw/zinc/23/85/46/943238546.db2.gz CMRRMHRPIDIFCP-DENIHFKCSA-N 2 0 354.469 3.949 20 0 FHADRP [NH3+]CC1CCC([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000422704693 943240336 /nfs/dbraw/zinc/24/03/36/943240336.db2.gz AMAORFKEXZWKFK-UHFFFAOYSA-N 2 0 355.457 3.685 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[NH2+]CC1 ZINC000422708970 943242253 /nfs/dbraw/zinc/24/22/53/943242253.db2.gz CNUATFDDCRWWKW-DNVCBOLYSA-N 2 0 362.489 3.578 20 0 FHADRP COCCSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712931 943244717 /nfs/dbraw/zinc/24/47/17/943244717.db2.gz IYQRRXUJALTBEB-GJZGRUSLSA-N 2 0 359.539 3.999 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(Br)s1 ZINC000422712914 943244814 /nfs/dbraw/zinc/24/48/14/943244814.db2.gz IWTKDLMLNUZLSH-SNVBAGLBSA-N 2 0 354.317 3.566 20 0 FHADRP COc1ccc([C@H](NCCCCC[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422712972 943245000 /nfs/dbraw/zinc/24/50/00/943245000.db2.gz JEQPJDOLSCIUTP-YADHBBJMSA-N 2 0 359.558 3.734 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422694013 943247424 /nfs/dbraw/zinc/24/74/24/943247424.db2.gz NEHMTXBRMYRYCM-SJLPKXTDSA-N 2 0 355.482 3.750 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714474 943254204 /nfs/dbraw/zinc/25/42/04/943254204.db2.gz RBRBGQVWDYDEPT-QFBILLFUSA-N 2 0 369.475 3.777 20 0 FHADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422715575 943254910 /nfs/dbraw/zinc/25/49/10/943254910.db2.gz SGVLOSFGGMNHOA-XPWALMASSA-N 2 0 372.553 3.783 20 0 FHADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422722626 943258910 /nfs/dbraw/zinc/25/89/10/943258910.db2.gz PNHRDASDWDNLRS-FDFHNCONSA-N 2 0 359.533 3.691 20 0 FHADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422723518 943259244 /nfs/dbraw/zinc/25/92/44/943259244.db2.gz RQRSJOYTJFFIEU-USXIJHARSA-N 2 0 352.906 3.758 20 0 FHADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757789 943262462 /nfs/dbraw/zinc/26/24/62/943262462.db2.gz IYZXRTXOKMVNOL-IAAVTCLWSA-N 2 0 369.475 3.818 20 0 FHADRP c1ccc(C(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422758678 943263330 /nfs/dbraw/zinc/26/33/30/943263330.db2.gz OESBWLIDBOPVGU-YTFSRNRJSA-N 2 0 350.506 3.565 20 0 FHADRP CC[C@H]1C[C@H](C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000503581479 943263376 /nfs/dbraw/zinc/26/33/76/943263376.db2.gz OAURJBOMLJXTCT-YADHBBJMSA-N 2 0 374.569 3.853 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000416969631 943263317 /nfs/dbraw/zinc/26/33/17/943263317.db2.gz CDYADCPZYHHTDB-NQIIRXRSSA-N 2 0 374.573 3.576 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737743 943264863 /nfs/dbraw/zinc/26/48/63/943264863.db2.gz XVTKLQBWCOYSIQ-ZTFGCOKTSA-N 2 0 354.897 3.503 20 0 FHADRP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741534 943267308 /nfs/dbraw/zinc/26/73/08/943267308.db2.gz OSJMFKPMCOJNOO-DENIHFKCSA-N 2 0 352.478 3.609 20 0 FHADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422752005 943272074 /nfs/dbraw/zinc/27/20/74/943272074.db2.gz CDYUZEQUNABKKL-VQIMIIECSA-N 2 0 356.489 3.616 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754804 943273826 /nfs/dbraw/zinc/27/38/26/943273826.db2.gz GERFYSQVVPJWHB-UWWQBHOKSA-N 2 0 357.464 3.805 20 0 FHADRP CC[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422769563 943276086 /nfs/dbraw/zinc/27/60/86/943276086.db2.gz VHHQTWQFBDPJHU-MSOLQXFVSA-N 2 0 370.459 3.874 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773411 943278331 /nfs/dbraw/zinc/27/83/31/943278331.db2.gz ZTVVBPFSXCYGLS-YJBOKZPZSA-N 2 0 370.459 3.731 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCCO2)cc1 ZINC000422783191 943281465 /nfs/dbraw/zinc/28/14/65/943281465.db2.gz MVMOHNMXKGNGEE-SWUCNREESA-N 2 0 364.489 3.752 20 0 FHADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783593 943281485 /nfs/dbraw/zinc/28/14/85/943281485.db2.gz OMBVYJRTJCLBRB-AQKFKSFVSA-N 2 0 352.478 3.992 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422784858 943281632 /nfs/dbraw/zinc/28/16/32/943281632.db2.gz MNORYCUEOZPVFC-JOQOYGCGSA-N 2 0 362.420 3.599 20 0 FHADRP Clc1ccc(OCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422786851 943282504 /nfs/dbraw/zinc/28/25/04/943282504.db2.gz SZRKCTKRJMODMN-USXIJHARSA-N 2 0 373.324 3.509 20 0 FHADRP Clc1ccc(OCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422786848 943282541 /nfs/dbraw/zinc/28/25/41/943282541.db2.gz SZRKCTKRJMODMN-BHYGNILZSA-N 2 0 373.324 3.509 20 0 FHADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422786411 943283062 /nfs/dbraw/zinc/28/30/62/943283062.db2.gz OMLBOFOVFKFBPB-DKZVUGQWSA-N 2 0 352.478 3.910 20 0 FHADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCCC2 ZINC000422809084 943291053 /nfs/dbraw/zinc/29/10/53/943291053.db2.gz RGUBBSOOQFXLJS-GFOJFJKKSA-N 2 0 356.510 3.570 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422813096 943292793 /nfs/dbraw/zinc/29/27/93/943292793.db2.gz RLAGHQHQVSHLJY-BZUAXINKSA-N 2 0 354.441 3.697 20 0 FHADRP CCN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422789335 943293023 /nfs/dbraw/zinc/29/30/23/943293023.db2.gz ODTAVIFOKDYPFA-BULFRSBZSA-N 2 0 353.510 3.687 20 0 FHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422813376 943293358 /nfs/dbraw/zinc/29/33/58/943293358.db2.gz YAOXJGGZULUTEW-WVBUVRCRSA-N 2 0 353.510 3.976 20 0 FHADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422792136 943294097 /nfs/dbraw/zinc/29/40/97/943294097.db2.gz QQQLTWUGGABMEU-NQSCKRDGSA-N 2 0 352.478 3.608 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422791592 943294156 /nfs/dbraw/zinc/29/41/56/943294156.db2.gz QJAAGDUNNJJFQB-ILWGZMRPSA-N 2 0 352.526 3.559 20 0 FHADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422792135 943294271 /nfs/dbraw/zinc/29/42/71/943294271.db2.gz QQQLTWUGGABMEU-AGHHOFFYSA-N 2 0 352.478 3.608 20 0 FHADRP Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cnn1-c1ccc(F)cc1 ZINC000422791488 943294333 /nfs/dbraw/zinc/29/43/33/943294333.db2.gz VZVOVMDCJOCGHI-DZGCQCFKSA-N 2 0 367.472 3.894 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422822840 943295686 /nfs/dbraw/zinc/29/56/86/943295686.db2.gz KUNQQDYUEJMVJL-GBESFXJTSA-N 2 0 358.526 3.636 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000422828502 943298237 /nfs/dbraw/zinc/29/82/37/943298237.db2.gz BELXCNCEGXWLCR-NVXWUHKLSA-N 2 0 350.503 3.503 20 0 FHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000422832761 943299614 /nfs/dbraw/zinc/29/96/14/943299614.db2.gz VOFSKAXMJFYJOB-QHAWAJNXSA-N 3 0 361.599 3.861 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832696 943299654 /nfs/dbraw/zinc/29/96/54/943299654.db2.gz VIXSASJHYQGAGW-DWLFOUALSA-N 2 0 359.558 3.588 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837977 943301366 /nfs/dbraw/zinc/30/13/66/943301366.db2.gz NJAMLHAPYUKBNM-TXCZRRACSA-N 2 0 367.331 3.727 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)Oc1ccccc1Br ZINC000422841273 943301682 /nfs/dbraw/zinc/30/16/82/943301682.db2.gz VLNCNJRJDPHPEI-CSMYWGQOSA-N 2 0 361.283 3.951 20 0 FHADRP FC(F)(F)C1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422818132 943303404 /nfs/dbraw/zinc/30/34/04/943303404.db2.gz JHOSFLBQALEZOJ-TXVKYFBMSA-N 2 0 354.416 3.953 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417038798 943304693 /nfs/dbraw/zinc/30/46/93/943304693.db2.gz JENHSUWXDGSXKJ-SVFBPWRDSA-N 2 0 374.573 3.524 20 0 FHADRP CC(C)[C@@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCC(C)CC1 ZINC000422851543 943306219 /nfs/dbraw/zinc/30/62/19/943306219.db2.gz XCASCPVLQPSVHN-QZNHQXDQSA-N 2 0 371.569 3.588 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854211 943306583 /nfs/dbraw/zinc/30/65/83/943306583.db2.gz ZWBXPALGGWNVDZ-DNVJHFABSA-N 2 0 355.570 3.594 20 0 FHADRP C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414701000 943313554 /nfs/dbraw/zinc/31/35/54/943313554.db2.gz JWNQRYVFZSVYJX-PKOBYXMFSA-N 2 0 371.550 3.509 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422880433 943314841 /nfs/dbraw/zinc/31/48/41/943314841.db2.gz LUOMTXWVDRKODX-XLIONFOSSA-N 2 0 357.567 3.955 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422880120 943315131 /nfs/dbraw/zinc/31/51/31/943315131.db2.gz NFVUCAHBEVYLNO-BTHPGYMESA-N 2 0 361.961 3.985 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000422882021 943315761 /nfs/dbraw/zinc/31/57/61/943315761.db2.gz OTTUCERXCLKLMQ-HLLBOEOZSA-N 2 0 350.503 3.674 20 0 FHADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H](C)CCCC[NH3+])c2)cc1 ZINC000422884326 943316149 /nfs/dbraw/zinc/31/61/49/943316149.db2.gz RVFOPVRHDXYERT-GOSISDBHSA-N 2 0 353.510 3.532 20 0 FHADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422891676 943316337 /nfs/dbraw/zinc/31/63/37/943316337.db2.gz LKEKZUWCDOXKIO-YTFSRNRJSA-N 2 0 366.505 3.512 20 0 FHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883115 943316407 /nfs/dbraw/zinc/31/64/07/943316407.db2.gz BOZMRBFBEJUWRG-NNMXDRDESA-N 2 0 350.462 3.528 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422870491 943321481 /nfs/dbraw/zinc/32/14/81/943321481.db2.gz BXKYWLHJFJRQKE-YUMYIRISSA-N 2 0 372.553 3.953 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000422872713 943322173 /nfs/dbraw/zinc/32/21/73/943322173.db2.gz IJMWVSZFJWQGHX-GUDVDZBRSA-N 2 0 350.934 3.655 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422903358 943325234 /nfs/dbraw/zinc/32/52/34/943325234.db2.gz OILUJPXUFSFJGH-YZGWKJHDSA-N 2 0 356.489 3.720 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422903356 943325415 /nfs/dbraw/zinc/32/54/15/943325415.db2.gz OILUJPXUFSFJGH-MISYRCLQSA-N 2 0 356.489 3.720 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905705 943326719 /nfs/dbraw/zinc/32/67/19/943326719.db2.gz ITGVMIDSXJRJHH-PUTINYOFSA-N 2 0 363.549 3.730 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422910091 943327620 /nfs/dbraw/zinc/32/76/20/943327620.db2.gz PRLYKLVEYKBNGM-OKZBNKHCSA-N 2 0 370.459 3.730 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894382 943331329 /nfs/dbraw/zinc/33/13/29/943331329.db2.gz TVJJXKCQICGWAR-PXNSSMCTSA-N 2 0 355.457 3.685 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1Cl ZINC000422921660 943332123 /nfs/dbraw/zinc/33/21/23/943332123.db2.gz ONXZGKWNCAHWAY-YWMUFLPLSA-N 2 0 372.896 3.953 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(Cl)c1 ZINC000422926065 943334072 /nfs/dbraw/zinc/33/40/72/943334072.db2.gz WCOXVFXUXGKWFM-QFIXIFRTSA-N 2 0 372.896 3.953 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422927592 943334615 /nfs/dbraw/zinc/33/46/15/943334615.db2.gz ZEBDJMXXJYUVQE-DNVJHFABSA-N 2 0 366.505 3.609 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422930484 943335847 /nfs/dbraw/zinc/33/58/47/943335847.db2.gz UPCWSGGCDWBQLM-LBPRGKRZSA-N 2 0 361.873 3.514 20 0 FHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422931083 943335917 /nfs/dbraw/zinc/33/59/17/943335917.db2.gz WXMNRYXGQZXPCJ-DNVJHFABSA-N 2 0 350.506 3.909 20 0 FHADRP COc1ccc(C2([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422933927 943336607 /nfs/dbraw/zinc/33/66/07/943336607.db2.gz IWTBFIFKZLNTLH-CTNGQTDRSA-N 2 0 350.462 3.530 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000422936119 943337569 /nfs/dbraw/zinc/33/75/69/943337569.db2.gz IAWBIQKXICHTDS-XLIONFOSSA-N 2 0 358.869 3.694 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000422936754 943338158 /nfs/dbraw/zinc/33/81/58/943338158.db2.gz BSCFHNXYQWJPDG-ZDUSSCGKSA-N 2 0 360.299 3.951 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422939906 943338804 /nfs/dbraw/zinc/33/88/04/943338804.db2.gz GJWOXOYMCKBLCA-NFBKMPQASA-N 2 0 366.505 3.818 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000422943173 943340167 /nfs/dbraw/zinc/34/01/67/943340167.db2.gz QMAMANBQWPMKHG-CHWSQXEVSA-N 2 0 362.315 3.893 20 0 FHADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422963341 943342200 /nfs/dbraw/zinc/34/22/00/943342200.db2.gz FSWKCLJEDGWFNK-YTFSRNRJSA-N 2 0 372.553 3.783 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422947032 943345391 /nfs/dbraw/zinc/34/53/91/943345391.db2.gz POFDVPGHBBQTTM-FAPGHKNJSA-N 2 0 362.517 3.626 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000503704012 943346028 /nfs/dbraw/zinc/34/60/28/943346028.db2.gz MHHNSJFDSRAYQF-ICSRJNTNSA-N 2 0 374.573 3.632 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000422947906 943346061 /nfs/dbraw/zinc/34/60/61/943346061.db2.gz QUDAJEQPRWYHBH-IAGOWNOFSA-N 2 0 355.320 3.634 20 0 FHADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Sc1ccc(Br)cc1 ZINC000422953662 943348283 /nfs/dbraw/zinc/34/82/83/943348283.db2.gz FZNYQRPCGOEDOZ-IOASZLSFSA-N 2 0 357.361 3.907 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000422958384 943349422 /nfs/dbraw/zinc/34/94/22/943349422.db2.gz XMXHPABUVWZNEG-ULQDDVLXSA-N 2 0 368.525 3.631 20 0 FHADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422957656 943350037 /nfs/dbraw/zinc/35/00/37/943350037.db2.gz USUWDLWTOORVKU-NJDAHSKKSA-N 2 0 359.583 3.958 20 0 FHADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000422960730 943350675 /nfs/dbraw/zinc/35/06/75/943350675.db2.gz XPACDCGNXJWXKB-VAMGGRTRSA-N 2 0 368.525 3.742 20 0 FHADRP CCCOc1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995058 943353352 /nfs/dbraw/zinc/35/33/52/943353352.db2.gz WXBWTCUABDJERA-JTHBVZDNSA-N 2 0 366.505 3.863 20 0 FHADRP CCCOc1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995040 943353529 /nfs/dbraw/zinc/35/35/29/943353529.db2.gz WXBWTCUABDJERA-FYYLOGMGSA-N 2 0 366.505 3.863 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981299 943357004 /nfs/dbraw/zinc/35/70/04/943357004.db2.gz NSCCBSDUPXYQJE-AOMKIAJQSA-N 2 0 353.510 3.984 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccccc1 ZINC000422978718 943357355 /nfs/dbraw/zinc/35/73/55/943357355.db2.gz KHLFCWOAZUYYPK-QNWVGRARSA-N 2 0 365.521 3.969 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422980917 943357994 /nfs/dbraw/zinc/35/79/94/943357994.db2.gz MSKCCCAFSKXUJI-PBHICJAKSA-N 2 0 362.905 3.833 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C)C1CCCCC1 ZINC000414710519 943358884 /nfs/dbraw/zinc/35/88/84/943358884.db2.gz LDJQKHLNECKTBV-IBGZPJMESA-N 2 0 360.546 3.946 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)c2)CC1 ZINC000584670891 943359208 /nfs/dbraw/zinc/35/92/08/943359208.db2.gz WUKUGOICKLDSLR-BDTNDASRSA-N 2 0 356.558 3.502 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414711111 943362929 /nfs/dbraw/zinc/36/29/29/943362929.db2.gz LXYNEUKMRITACN-FQEVSTJZSA-N 2 0 370.541 3.809 20 0 FHADRP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008286 943363587 /nfs/dbraw/zinc/36/35/87/943363587.db2.gz ZRLLTYBFUROGNK-PGRDOPGGSA-N 2 0 363.509 3.754 20 0 FHADRP FC(F)Oc1ccc(Cl)cc1CNCCC[NH2+]Cc1cccnc1 ZINC000414868386 943366222 /nfs/dbraw/zinc/36/62/22/943366222.db2.gz AIWRDNPEDFVNNW-UHFFFAOYSA-N 2 0 355.816 3.606 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000435377009 943366470 /nfs/dbraw/zinc/36/64/70/943366470.db2.gz XBAITTCJQYLAAT-RDJZCZTQSA-N 2 0 350.466 3.610 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](c1ccccc1)N(C)C ZINC000423048710 943368833 /nfs/dbraw/zinc/36/88/33/943368833.db2.gz IKXXIAKGCAMVMZ-RMVZNSSTSA-N 2 0 365.521 3.523 20 0 FHADRP CCCCCn1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423029316 943370812 /nfs/dbraw/zinc/37/08/12/943370812.db2.gz UQYCIELTYOJFQU-IFMALSPDSA-N 2 0 368.525 3.727 20 0 FHADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028232 943370928 /nfs/dbraw/zinc/37/09/28/943370928.db2.gz SJWGINZVPYQZMZ-ARKSPBFVSA-N 2 0 351.897 3.568 20 0 FHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036310 943373415 /nfs/dbraw/zinc/37/34/15/943373415.db2.gz TWDIMPGRMSCUJO-KDOFPFPSSA-N 2 0 356.341 3.675 20 0 FHADRP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423038695 943373991 /nfs/dbraw/zinc/37/39/91/943373991.db2.gz ZAPXKMXEEFZTHF-PCCBWWKXSA-N 2 0 363.505 3.541 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000435395004 943381475 /nfs/dbraw/zinc/38/14/75/943381475.db2.gz NJNHOODEJFPPNW-MRXNPFEDSA-N 2 0 370.541 3.873 20 0 FHADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423072675 943382452 /nfs/dbraw/zinc/38/24/52/943382452.db2.gz HMJPJBZVUGNGHB-PFDCGNQRSA-N 2 0 374.544 3.800 20 0 FHADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423072673 943382702 /nfs/dbraw/zinc/38/27/02/943382702.db2.gz HMJPJBZVUGNGHB-GNJRFXKQSA-N 2 0 374.544 3.800 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423076182 943383277 /nfs/dbraw/zinc/38/32/77/943383277.db2.gz YJNUKIRXBSYWCP-DOMZBBRYSA-N 2 0 358.313 3.596 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423076185 943383368 /nfs/dbraw/zinc/38/33/68/943383368.db2.gz YJNUKIRXBSYWCP-WFASDCNBSA-N 2 0 358.313 3.596 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051387 943383809 /nfs/dbraw/zinc/38/38/09/943383809.db2.gz NZBKFTRIOVITLO-JKSUJKDBSA-N 2 0 363.502 3.670 20 0 FHADRP CC[N@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435396260 943390527 /nfs/dbraw/zinc/39/05/27/943390527.db2.gz XGZGCAQFXOVCTD-HXUWFJFHSA-N 2 0 369.509 3.633 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423090470 943391305 /nfs/dbraw/zinc/39/13/05/943391305.db2.gz XRDQLZXJNLJWEW-WSDZMALLSA-N 2 0 361.496 3.692 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423102066 943394374 /nfs/dbraw/zinc/39/43/74/943394374.db2.gz JORVIZHRZGSBPS-ZWKOTPCHSA-N 2 0 374.447 3.517 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423102064 943394764 /nfs/dbraw/zinc/39/47/64/943394764.db2.gz JORVIZHRZGSBPS-QZTJIDSGSA-N 2 0 374.447 3.517 20 0 FHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423101925 943395185 /nfs/dbraw/zinc/39/51/85/943395185.db2.gz WNSDEFHFORNNKV-UARLMTKWSA-N 2 0 352.453 3.917 20 0 FHADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423075999 943395398 /nfs/dbraw/zinc/39/53/98/943395398.db2.gz PWFMPCFUKZVYNW-VOFXCDAESA-N 2 0 364.489 3.610 20 0 FHADRP CC[NH2+]CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000514930754 943400548 /nfs/dbraw/zinc/40/05/48/943400548.db2.gz PYQGMSKIRONIIV-QGZVFWFLSA-N 2 0 355.320 3.506 20 0 FHADRP C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112153 943405070 /nfs/dbraw/zinc/40/50/70/943405070.db2.gz XFPMFRMUAUWKMV-SESVOUGMSA-N 2 0 361.961 3.984 20 0 FHADRP C[C@@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112149 943405155 /nfs/dbraw/zinc/40/51/55/943405155.db2.gz XFPMFRMUAUWKMV-DWYIHVRCSA-N 2 0 361.961 3.984 20 0 FHADRP C[C@@H](CC1CCOCC1)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426617 943405638 /nfs/dbraw/zinc/40/56/38/943405638.db2.gz JAXWXYHMFJPMNL-WMZOPIPTSA-N 2 0 363.571 3.540 20 0 FHADRP CN1CCC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152920 943411812 /nfs/dbraw/zinc/41/18/12/943411812.db2.gz GLKLOYWPUIGIIH-SXWKCWPCSA-N 2 0 363.505 3.803 20 0 FHADRP COc1ccc([C@H](C)C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436947 943415744 /nfs/dbraw/zinc/41/57/44/943415744.db2.gz HOORTFXOGVJAAJ-APWZRJJASA-N 2 0 371.550 3.900 20 0 FHADRP Brc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206076 943430882 /nfs/dbraw/zinc/43/08/82/943430882.db2.gz FSPTVABHYKBLJU-KBXCAEBGSA-N 2 0 367.331 3.506 20 0 FHADRP [NH3+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423187004 943434224 /nfs/dbraw/zinc/43/42/24/943434224.db2.gz KSVIZXIKXKSOQL-CYBMUJFWSA-N 2 0 366.328 3.888 20 0 FHADRP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423215429 943445591 /nfs/dbraw/zinc/44/55/91/943445591.db2.gz NTRKBRYDOHTVOR-VILUFWDLSA-N 2 0 355.707 3.962 20 0 FHADRP COCCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215055 943445741 /nfs/dbraw/zinc/44/57/41/943445741.db2.gz QCDQUUYACSULTI-RHSMWYFYSA-N 2 0 355.320 3.506 20 0 FHADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000515005842 943446280 /nfs/dbraw/zinc/44/62/80/943446280.db2.gz KXFJFDDILLDBOP-DYVFJYSZSA-N 2 0 360.889 3.915 20 0 FHADRP c1cc(CN(Cc2cccc3c2OCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000414725050 943452892 /nfs/dbraw/zinc/45/28/92/943452892.db2.gz UOODEPPQQDUGMQ-SFHVURJKSA-N 2 0 356.491 3.621 20 0 FHADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(Br)o2)cc1 ZINC000423247056 943458809 /nfs/dbraw/zinc/45/88/09/943458809.db2.gz KPKSCYFQBXIHEH-SJKOYZFVSA-N 2 0 367.262 3.860 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000423293466 943465917 /nfs/dbraw/zinc/46/59/17/943465917.db2.gz RKKLDXSSFKFLDK-GJZGRUSLSA-N 2 0 352.482 3.841 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ncc(Br)cc2F)cc1 ZINC000423293129 943466151 /nfs/dbraw/zinc/46/61/51/943466151.db2.gz PWAHKSCHWDUSCD-GHMZBOCLSA-N 2 0 352.251 3.854 20 0 FHADRP Cc1ccc([C@H](Cc2ccccc2Br)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423308693 943471364 /nfs/dbraw/zinc/47/13/64/943471364.db2.gz YDVUNGDPTNGBEP-IBGZPJMESA-N 2 0 359.311 3.850 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293907 943475224 /nfs/dbraw/zinc/47/52/24/943475224.db2.gz SMCQBKWONVNEKL-OALUTQOASA-N 3 0 351.538 3.892 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322743 943475460 /nfs/dbraw/zinc/47/54/60/943475460.db2.gz GTAIHFQSQVJEAI-XPGWFJOJSA-N 2 0 370.493 3.509 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423323610 943480101 /nfs/dbraw/zinc/48/01/01/943480101.db2.gz IGFOMUILMDWZKT-NSHGMRRFSA-N 2 0 359.558 3.587 20 0 FHADRP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414733833 943482247 /nfs/dbraw/zinc/48/22/47/943482247.db2.gz KGSOCUWSMFLBTP-ZIAGYGMSSA-N 2 0 362.905 3.589 20 0 FHADRP CC1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423333612 943482517 /nfs/dbraw/zinc/48/25/17/943482517.db2.gz QCVBECDMVVRBIX-HNNXBMFYSA-N 2 0 353.304 3.642 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423368628 943493154 /nfs/dbraw/zinc/49/31/54/943493154.db2.gz BGCOUPMJYHCLMN-DYESRHJHSA-N 2 0 357.542 3.626 20 0 FHADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515089418 943498485 /nfs/dbraw/zinc/49/84/85/943498485.db2.gz HDUBSMAIXBXHLI-FQEVSTJZSA-N 2 0 372.557 3.521 20 0 FHADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423399320 943503221 /nfs/dbraw/zinc/50/32/21/943503221.db2.gz UOGFBRAWXHDENU-MRXNPFEDSA-N 2 0 355.320 3.506 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(OCC[NH+](C)C)cc1 ZINC000423419931 943504639 /nfs/dbraw/zinc/50/46/39/943504639.db2.gz WQBXWDUBKKMKST-QGZVFWFLSA-N 2 0 353.510 3.836 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423425825 943506430 /nfs/dbraw/zinc/50/64/30/943506430.db2.gz HGTCPESYZSGLOO-MNOVXSKESA-N 2 0 364.246 3.598 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423425827 943506603 /nfs/dbraw/zinc/50/66/03/943506603.db2.gz HGTCPESYZSGLOO-QWRGUYRKSA-N 2 0 364.246 3.598 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000423401047 943506940 /nfs/dbraw/zinc/50/69/40/943506940.db2.gz GAYMYXGVDZZMJI-OAQYLSRUSA-N 2 0 374.475 3.854 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)CC[NH2+]CC1 ZINC000423407014 943508764 /nfs/dbraw/zinc/50/87/64/943508764.db2.gz LMOYQQPXCRNAAG-CQSZACIVSA-N 2 0 358.498 3.711 20 0 FHADRP COCC1(C[NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000423407225 943508776 /nfs/dbraw/zinc/50/87/76/943508776.db2.gz MAVKBQFSWIAXQM-OAQYLSRUSA-N 2 0 356.485 3.829 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423408207 943509306 /nfs/dbraw/zinc/50/93/06/943509306.db2.gz OGCYBDQOWGOXJW-ROUUACIJSA-N 2 0 370.459 3.947 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC000423408187 943509368 /nfs/dbraw/zinc/50/93/68/943509368.db2.gz ODZDNJFIAVJFJV-IBGZPJMESA-N 2 0 368.521 3.932 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423412543 943510401 /nfs/dbraw/zinc/51/04/01/943510401.db2.gz XBOXENWRTLPBFQ-QFIPXVFZSA-N 2 0 368.521 3.585 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317978 943512304 /nfs/dbraw/zinc/51/23/04/943512304.db2.gz XTHAIOVCUCXQNZ-ORYQWCPZSA-N 2 0 370.562 3.987 20 0 FHADRP Clc1ccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423434978 943518763 /nfs/dbraw/zinc/51/87/63/943518763.db2.gz KYXXKAUPXXBKDV-PWRODBHTSA-N 2 0 355.913 3.997 20 0 FHADRP CN(Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435621677 943518887 /nfs/dbraw/zinc/51/88/87/943518887.db2.gz NVYSAGITEMBMAF-INIZCTEOSA-N 2 0 364.287 3.678 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423468988 943524322 /nfs/dbraw/zinc/52/43/22/943524322.db2.gz KCYSBFIJQHKMRT-QBIMZIAESA-N 2 0 351.332 3.877 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000423471469 943525008 /nfs/dbraw/zinc/52/50/08/943525008.db2.gz MCXYUSKGBJOSHQ-GIGYVVOSSA-N 2 0 360.517 3.704 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000423476781 943526506 /nfs/dbraw/zinc/52/65/06/943526506.db2.gz RLCDZFLUKTYQDT-WOSRLPQWSA-N 2 0 353.304 3.770 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423507243 943532168 /nfs/dbraw/zinc/53/21/68/943532168.db2.gz JLMVQXVBHHIGFL-IRZJEQJZSA-N 2 0 366.553 3.660 20 0 FHADRP Cc1ccccc1COc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423507200 943532387 /nfs/dbraw/zinc/53/23/87/943532387.db2.gz HUDCBXVJYSIYHD-AVRDEDQJSA-N 2 0 354.494 3.603 20 0 FHADRP c1ccc(C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423508569 943532415 /nfs/dbraw/zinc/53/24/15/943532415.db2.gz KUTSCXGRDMSKQD-VHYCJAOWSA-N 2 0 363.549 3.776 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000423483089 943532795 /nfs/dbraw/zinc/53/27/95/943532795.db2.gz YEWJSIVRXCZPLV-VBCWZRPASA-N 2 0 360.517 3.704 20 0 FHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423486667 943533584 /nfs/dbraw/zinc/53/35/84/943533584.db2.gz BUZHSSGFEYQAIH-FGTMMUONSA-N 2 0 356.432 3.700 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423494072 943536997 /nfs/dbraw/zinc/53/69/97/943536997.db2.gz CTEZVHUEFVTQSB-DDFXLWFNSA-N 2 0 355.345 3.949 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533638 943540068 /nfs/dbraw/zinc/54/00/68/943540068.db2.gz YBUYCZVIUXPDJT-OPAUWTDSSA-N 2 0 367.581 3.640 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000423512594 943541331 /nfs/dbraw/zinc/54/13/31/943541331.db2.gz OUBGHERASWOQAD-IPJUCJBFSA-N 2 0 370.566 3.677 20 0 FHADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414748806 943542189 /nfs/dbraw/zinc/54/21/89/943542189.db2.gz XEQNJSVKUJJZIN-UONOGXRCSA-N 2 0 367.896 3.518 20 0 FHADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)c1 ZINC000423517369 943543301 /nfs/dbraw/zinc/54/33/01/943543301.db2.gz YEFJMPOXCLRQCA-MAKTXDPSSA-N 2 0 361.961 3.782 20 0 FHADRP Clc1cccc([C@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)c1 ZINC000423517368 943543491 /nfs/dbraw/zinc/54/34/91/943543491.db2.gz YEFJMPOXCLRQCA-AFVILVPDSA-N 2 0 361.961 3.782 20 0 FHADRP C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423519775 943544134 /nfs/dbraw/zinc/54/41/34/943544134.db2.gz DPQOPBBOGVEXSY-HUXGSGHJSA-N 2 0 367.581 3.640 20 0 FHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1OC(F)F ZINC000423520573 943544883 /nfs/dbraw/zinc/54/48/83/943544883.db2.gz RMOKFXQGPJPQNS-HTWSVDAQSA-N 2 0 367.484 3.545 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423524503 943546434 /nfs/dbraw/zinc/54/64/34/943546434.db2.gz JOPZQCGKMUHXTN-VJBMBRPKSA-N 2 0 363.549 3.762 20 0 FHADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423525781 943546616 /nfs/dbraw/zinc/54/66/16/943546616.db2.gz KQZASZNDMCRPQG-LUBYCAEISA-N 2 0 354.538 3.930 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000423557428 943548054 /nfs/dbraw/zinc/54/80/54/943548054.db2.gz ZRHQIOBRUZDAST-IJXRJRJASA-N 2 0 352.526 3.836 20 0 FHADRP C[NH+](C)CCc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000515180154 943552443 /nfs/dbraw/zinc/55/24/43/943552443.db2.gz YXSNVDJHSVCKPM-UHFFFAOYSA-N 2 0 365.521 3.681 20 0 FHADRP CCC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423541320 943552813 /nfs/dbraw/zinc/55/28/13/943552813.db2.gz AQDWTICPWLAMLA-OAQYLSRUSA-N 2 0 352.526 3.506 20 0 FHADRP O=C(CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435691234 943559481 /nfs/dbraw/zinc/55/94/81/943559481.db2.gz FTVCRCJSYQBPCR-LJQANCHMSA-N 2 0 369.534 3.721 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417376555 943565243 /nfs/dbraw/zinc/56/52/43/943565243.db2.gz DOVMJIBMLMJGCK-UHFFFAOYSA-N 2 0 374.569 3.587 20 0 FHADRP Cc1ncc(CN2CCC[N@H+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000435768665 943600208 /nfs/dbraw/zinc/60/02/08/943600208.db2.gz RKZVLTIAPIUQTN-UHFFFAOYSA-N 2 0 360.505 3.889 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423751175 943609209 /nfs/dbraw/zinc/60/92/09/943609209.db2.gz YJQFAQPWPYYXCE-OAQYLSRUSA-N 2 0 367.537 3.823 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)CCC3CC[NH2+]CC3)c2)CC1 ZINC000423846885 943628034 /nfs/dbraw/zinc/62/80/34/943628034.db2.gz OIZXCXYSYBHFQB-UHFFFAOYSA-N 2 0 357.542 3.679 20 0 FHADRP CC(C)c1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000424042113 943701185 /nfs/dbraw/zinc/70/11/85/943701185.db2.gz VZUZMBKWKABXHZ-UHFFFAOYSA-N 2 0 365.521 3.533 20 0 FHADRP CC1(C)C[N@H+](Cc2cnccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584825252 943706682 /nfs/dbraw/zinc/70/66/82/943706682.db2.gz WGWJRBUGWSLHRH-NRFANRHFSA-N 2 0 350.510 3.599 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000414775451 943736991 /nfs/dbraw/zinc/73/69/91/943736991.db2.gz CRZNGPXPMFSFGN-LILXYRQWSA-N 2 0 354.538 3.959 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000424136670 943748238 /nfs/dbraw/zinc/74/82/38/943748238.db2.gz NYTNWFKZGFLRKE-DLBZAZTESA-N 2 0 351.560 3.545 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417628101 943777866 /nfs/dbraw/zinc/77/78/66/943777866.db2.gz UMGLRWNZPHTFOW-NRFANRHFSA-N 2 0 374.573 3.577 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778000 943779332 /nfs/dbraw/zinc/77/93/32/943779332.db2.gz IUOPXOXIZRHQGC-HOTGVXAUSA-N 2 0 352.906 3.569 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(C(=O)Nc3ccccc3)c1)CC[NH2+]CC2 ZINC000424286672 943819712 /nfs/dbraw/zinc/81/97/12/943819712.db2.gz HRHJOPDUSSGORK-GOSISDBHSA-N 2 0 363.505 3.903 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000424274758 943831603 /nfs/dbraw/zinc/83/16/03/943831603.db2.gz ZJRYYLAIEPOIFO-FBIZOPLVSA-N 2 0 358.526 3.596 20 0 FHADRP C[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000414782366 943845195 /nfs/dbraw/zinc/84/51/95/943845195.db2.gz XKIGXXOKPJWBTA-XWIAVFTESA-N 2 0 356.432 3.637 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478069 943846673 /nfs/dbraw/zinc/84/66/73/943846673.db2.gz OUKXTYJRDRTHPS-JRGCBEDISA-N 2 0 365.512 3.953 20 0 FHADRP CC[NH+](CC)CCOc1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1 ZINC000424349428 943856935 /nfs/dbraw/zinc/85/69/35/943856935.db2.gz WCSHPNBCDPHSMF-UHFFFAOYSA-N 2 0 358.486 3.575 20 0 FHADRP c1c(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414907971 943889235 /nfs/dbraw/zinc/88/92/35/943889235.db2.gz CHVYRRPUGQULAQ-JOCHJYFZSA-N 2 0 360.505 3.830 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000424447594 943919662 /nfs/dbraw/zinc/91/96/62/943919662.db2.gz VTAJMYRISZBGAV-UHFFFAOYSA-N 2 0 366.509 3.548 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000417878747 943920100 /nfs/dbraw/zinc/92/01/00/943920100.db2.gz PCERUGYDDXFDCE-FPOVZHCZSA-N 2 0 374.573 3.625 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417886732 943924106 /nfs/dbraw/zinc/92/41/06/943924106.db2.gz ZDQOUURMLSFFNV-DBXWQHBBSA-N 2 0 374.573 3.521 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305245 943930394 /nfs/dbraw/zinc/93/03/94/943930394.db2.gz JQRRMIPWKZYDQZ-YJBOKZPZSA-N 2 0 372.525 3.784 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517164 943949103 /nfs/dbraw/zinc/94/91/03/943949103.db2.gz LQFKZDGAQLGDPU-DOTOQJQBSA-N 2 0 363.552 3.590 20 0 FHADRP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000515518103 943950299 /nfs/dbraw/zinc/95/02/99/943950299.db2.gz PVEPLHAHEBPQAP-QYZOEREBSA-N 2 0 359.558 3.701 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000414796105 943965455 /nfs/dbraw/zinc/96/54/55/943965455.db2.gz XFEGITIKXYXSPP-QUCCMNQESA-N 2 0 360.498 3.882 20 0 FHADRP CC(C)[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1CCCCC1 ZINC000505126073 944072624 /nfs/dbraw/zinc/07/26/24/944072624.db2.gz YAESDCOSDDKAOM-XVAXZDLZSA-N 2 0 363.590 3.656 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000517217956 944111922 /nfs/dbraw/zinc/11/19/22/944111922.db2.gz GDILQBPCBKCTKP-SJLPKXTDSA-N 2 0 354.479 3.647 20 0 FHADRP Cc1cc(Br)cn2c(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cnc12 ZINC000414814436 944118168 /nfs/dbraw/zinc/11/81/68/944118168.db2.gz VOUZZZHZTMFLKU-CYBMUJFWSA-N 2 0 373.298 3.715 20 0 FHADRP C[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923967 944189608 /nfs/dbraw/zinc/18/96/08/944189608.db2.gz OXWJHQWQMQUHEV-KDOFPFPSSA-N 2 0 369.347 3.704 20 0 FHADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414919116 944240735 /nfs/dbraw/zinc/24/07/35/944240735.db2.gz WBKISCCHJABXNH-QFIPXVFZSA-N 2 0 354.494 3.850 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000925660411 944283692 /nfs/dbraw/zinc/28/36/92/944283692.db2.gz MTKKNAHEFXZXCL-ROUUACIJSA-N 2 0 363.299 3.552 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000517429039 944289026 /nfs/dbraw/zinc/28/90/26/944289026.db2.gz LINMPYZUCKBCRC-PZJWPPBQSA-N 2 0 353.510 3.523 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000550161449 944305889 /nfs/dbraw/zinc/30/58/89/944305889.db2.gz LTBIMNMEVQKJRQ-RBUKOAKNSA-N 2 0 357.542 3.593 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000439083493 944322860 /nfs/dbraw/zinc/32/28/60/944322860.db2.gz GWITXZDKGKLLIN-DLBZAZTESA-N 2 0 361.530 3.816 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108194 944346813 /nfs/dbraw/zinc/34/68/13/944346813.db2.gz XZRWKZXGROVBGO-RPWUZVMVSA-N 2 0 369.597 3.987 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426285652 944356424 /nfs/dbraw/zinc/35/64/24/944356424.db2.gz CIFCJCAMKWEUSV-JBACZVJFSA-N 2 0 367.512 3.905 20 0 FHADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)C[NH+](C)C ZINC000425951324 944363629 /nfs/dbraw/zinc/36/36/29/944363629.db2.gz MMFVNYMAGLXDJZ-MSOLQXFVSA-N 2 0 366.509 3.762 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccccc3F)CC2)c1 ZINC000517541156 944371383 /nfs/dbraw/zinc/37/13/83/944371383.db2.gz UHEKVYXGGJIJBS-UHFFFAOYSA-N 2 0 355.501 3.826 20 0 FHADRP COc1cc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC(F)F ZINC000518447427 944383841 /nfs/dbraw/zinc/38/38/41/944383841.db2.gz XNUWULUVRIWHJJ-ZDUSSCGKSA-N 2 0 374.497 3.775 20 0 FHADRP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1CCOCC1 ZINC000187900474 944389900 /nfs/dbraw/zinc/38/99/00/944389900.db2.gz JOKWIECUVXIPJS-JOCHJYFZSA-N 2 0 360.542 3.594 20 0 FHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)C2)CC1 ZINC000550200263 944418625 /nfs/dbraw/zinc/41/86/25/944418625.db2.gz CPAPNBNOEJKZJR-KRWDZBQOSA-N 2 0 356.432 3.791 20 0 FHADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000314394863 944423265 /nfs/dbraw/zinc/42/32/65/944423265.db2.gz STZYNQRJQXYDNY-QGZVFWFLSA-N 2 0 368.363 3.516 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1)C1CC1 ZINC000150738189 944445632 /nfs/dbraw/zinc/44/56/32/944445632.db2.gz ZCLMBYHURZKUEA-OAQYLSRUSA-N 2 0 369.553 3.761 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)(N2CCCCC2)CC1 ZINC000506204058 944485714 /nfs/dbraw/zinc/48/57/14/944485714.db2.gz NOVXKRZLRBZPCL-HXUWFJFHSA-N 2 0 361.961 3.867 20 0 FHADRP CC(C)[NH+]1CCC([NH2+]C2(Cc3ccccc3Br)CC2)CC1 ZINC000426339610 944490949 /nfs/dbraw/zinc/49/09/49/944490949.db2.gz MKBFHKBPTVJYKA-UHFFFAOYSA-N 2 0 351.332 3.987 20 0 FHADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)Oc1ccc(F)cc1 ZINC000608066068 944583759 /nfs/dbraw/zinc/58/37/59/944583759.db2.gz XVPYUMKPXNVYCL-GOSISDBHSA-N 2 0 372.484 3.857 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000418461768 944634139 /nfs/dbraw/zinc/63/41/39/944634139.db2.gz MIZANBUHKHXFPO-UYAOXDASSA-N 2 0 372.557 3.504 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727229 944656815 /nfs/dbraw/zinc/65/68/15/944656815.db2.gz AQRIBAXHUIQWSN-IRXDYDNUSA-N 2 0 363.552 3.590 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000500374486 944668164 /nfs/dbraw/zinc/66/81/64/944668164.db2.gz VEFRERCVKPSJRM-FOWTUZBSSA-N 2 0 370.459 3.934 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000506861775 944691103 /nfs/dbraw/zinc/69/11/03/944691103.db2.gz NQPJOERBMIDFAC-UHFFFAOYSA-N 2 0 364.555 3.734 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc(F)c3F)CC2)c1 ZINC000518769550 944721224 /nfs/dbraw/zinc/72/12/24/944721224.db2.gz CKBRWHZNGUJMIJ-UHFFFAOYSA-N 2 0 373.491 3.965 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414933790 944725329 /nfs/dbraw/zinc/72/53/29/944725329.db2.gz UUFOZZDTZOUTMD-BBRMVZONSA-N 2 0 371.447 3.790 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438568386 944803342 /nfs/dbraw/zinc/80/33/42/944803342.db2.gz JFYRTSFEQJIXQE-NRFANRHFSA-N 2 0 357.542 3.552 20 0 FHADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000293798826 944911163 /nfs/dbraw/zinc/91/11/63/944911163.db2.gz UWSGDQDSCBAWRP-HNNXBMFYSA-N 2 0 374.497 3.600 20 0 FHADRP Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000426896258 944924429 /nfs/dbraw/zinc/92/44/29/944924429.db2.gz APMJMQONPXQFEE-INIZCTEOSA-N 2 0 359.901 3.664 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@H]3CCCO3)CC2)CC1 ZINC000439784254 944968852 /nfs/dbraw/zinc/96/88/52/944968852.db2.gz VYGGYVZSGQYWFT-HSZRJFAPSA-N 2 0 371.569 3.610 20 0 FHADRP C(CCC[N@@H+]1CCOCC2(CCC2)C1)CC[NH+]1CCOCC2(CCC2)C1 ZINC000759916235 944980106 /nfs/dbraw/zinc/98/01/06/944980106.db2.gz WTMPJXJHFHFOCQ-UHFFFAOYSA-N 2 0 364.574 3.552 20 0 FHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415004902 944991932 /nfs/dbraw/zinc/99/19/32/944991932.db2.gz AIPZWEUJFGXVLX-FRRDWIJNSA-N 2 0 351.288 3.695 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CSC)c2)[C@@H](C)C1 ZINC000437070120 945003928 /nfs/dbraw/zinc/00/39/28/945003928.db2.gz ALVIHMUPKQSCOD-FXAWDEMLSA-N 2 0 350.572 3.776 20 0 FHADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000439844813 945023992 /nfs/dbraw/zinc/02/39/92/945023992.db2.gz WJPYWYGSOKGQJB-FPOVZHCZSA-N 2 0 361.574 3.508 20 0 FHADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000437106076 945027891 /nfs/dbraw/zinc/02/78/91/945027891.db2.gz FYSDLBPTDYHICM-RBUKOAKNSA-N 2 0 367.537 3.586 20 0 FHADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414898533 945038325 /nfs/dbraw/zinc/03/83/25/945038325.db2.gz ARUJICHOIUBFOL-LJQANCHMSA-N 2 0 366.534 3.892 20 0 FHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496383 945041284 /nfs/dbraw/zinc/04/12/84/945041284.db2.gz GXFLMYNNCYLCBR-KRWDZBQOSA-N 2 0 354.523 3.887 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000414955805 945048039 /nfs/dbraw/zinc/04/80/39/945048039.db2.gz UQQCPVJQOKTGFK-QKCSRTOESA-N 2 0 370.337 3.789 20 0 FHADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440280469 945373107 /nfs/dbraw/zinc/37/31/07/945373107.db2.gz IQRRJAKXKJZCHV-CBQOVEMMSA-N 2 0 369.553 3.563 20 0 FHADRP CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473879883 945574522 /nfs/dbraw/zinc/57/45/22/945574522.db2.gz URBJOUYRIGDGGV-PZJWPPBQSA-N 2 0 374.573 3.585 20 0 FHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CCOCC1 ZINC000187772547 945590669 /nfs/dbraw/zinc/59/06/69/945590669.db2.gz QZYBSFPPHIMQQG-GCJKJVERSA-N 2 0 360.542 3.592 20 0 FHADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CCOCC1 ZINC000187772567 945591199 /nfs/dbraw/zinc/59/11/99/945591199.db2.gz QZYBSFPPHIMQQG-AVRDEDQJSA-N 2 0 360.542 3.592 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1OCC ZINC000549524625 945610251 /nfs/dbraw/zinc/61/02/51/945610251.db2.gz LREOGCHGQZSBQN-KRWDZBQOSA-N 2 0 369.509 3.954 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654535 945622416 /nfs/dbraw/zinc/62/24/16/945622416.db2.gz SRACPBTWHCIMTB-ZWKOTPCHSA-N 2 0 370.928 3.927 20 0 FHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000281455900 945640397 /nfs/dbraw/zinc/64/03/97/945640397.db2.gz DNNFIIBBNOGQQV-NIKGAXFTSA-N 2 0 370.459 3.604 20 0 FHADRP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416427 945684258 /nfs/dbraw/zinc/68/42/58/945684258.db2.gz IZHMLZBZKOACCQ-JNXWUCBASA-N 2 0 363.496 3.703 20 0 FHADRP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)o1 ZINC001167987978 945694904 /nfs/dbraw/zinc/69/49/04/945694904.db2.gz OBVOZXSFJHBJLU-YMDLQSSNSA-N 2 0 369.553 3.642 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000519767742 945723790 /nfs/dbraw/zinc/72/37/90/945723790.db2.gz IODGWZHYZXTKMG-UTKZUKDTSA-N 2 0 361.599 3.649 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000192617023 945748208 /nfs/dbraw/zinc/74/82/08/945748208.db2.gz SKHLQELRQAMHTE-GOSISDBHSA-N 2 0 370.493 3.994 20 0 FHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)CC1 ZINC000519782252 945758536 /nfs/dbraw/zinc/75/85/36/945758536.db2.gz BTMOFKCUNPNBRG-NRFANRHFSA-N 2 0 365.521 3.824 20 0 FHADRP [NH3+]CCN(C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167970407 945777650 /nfs/dbraw/zinc/77/76/50/945777650.db2.gz JVQPNBNGNODWON-BMWZMXGFSA-N 2 0 357.586 3.621 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120023964 945788229 /nfs/dbraw/zinc/78/82/29/945788229.db2.gz SLJRQDKNTZRHPB-CYBMUJFWSA-N 2 0 351.922 3.956 20 0 FHADRP C[NH2+]CCC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000519828902 945792148 /nfs/dbraw/zinc/79/21/48/945792148.db2.gz YZNQHTLQCSGMED-NRFANRHFSA-N 2 0 369.484 3.827 20 0 FHADRP CCC(CC)(CNC(=O)c1cc(C(C)(C)[NH3+])no1)[NH2+][C@@H](C)c1ccccc1 ZINC000662730947 945831238 /nfs/dbraw/zinc/83/12/38/945831238.db2.gz VXIHOMMRSADZIO-HNNXBMFYSA-N 2 0 372.513 3.508 20 0 FHADRP Cc1csc(N2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)n1 ZINC000164618706 945925929 /nfs/dbraw/zinc/92/59/29/945925929.db2.gz ANWJWUKLYUBGOS-UHFFFAOYSA-N 2 0 350.576 3.666 20 0 FHADRP CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974303 945958452 /nfs/dbraw/zinc/95/84/52/945958452.db2.gz VEIRWBIJQSZZTD-AYHJJNSGSA-N 2 0 365.562 3.675 20 0 FHADRP CC(C)C(=O)NC1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050982 945973335 /nfs/dbraw/zinc/97/33/35/945973335.db2.gz DZHLVHFHPYXJHO-HATOLVCRSA-N 2 0 371.569 3.665 20 0 FHADRP c1csc(C[NH+]2CCC(CNc3cc(NCC4CC4)ncn3)CC2)c1 ZINC000301817295 945983315 /nfs/dbraw/zinc/98/33/15/945983315.db2.gz HXOUMONLFWMDGR-UHFFFAOYSA-N 2 0 357.527 3.684 20 0 FHADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CCCCCC1 ZINC000522851348 946005216 /nfs/dbraw/zinc/00/52/16/946005216.db2.gz YRCNKCUWPFQJSP-FQEVSTJZSA-N 2 0 371.569 3.943 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825200 946075277 /nfs/dbraw/zinc/07/52/77/946075277.db2.gz FJCBFQKSRBRKSG-XMSQKQJNSA-N 2 0 369.553 3.724 20 0 FHADRP CC1CC[NH+]([C@H](CNC(=O)CCCCCC[NH3+])c2cccs2)CC1 ZINC000236726404 946221363 /nfs/dbraw/zinc/22/13/63/946221363.db2.gz UCBZUWXWQHEAON-QGZVFWFLSA-N 2 0 351.560 3.547 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103174139 946229956 /nfs/dbraw/zinc/22/99/56/946229956.db2.gz WTIVINZJADGCJQ-KRWDZBQOSA-N 2 0 368.525 3.999 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185843 946306876 /nfs/dbraw/zinc/30/68/76/946306876.db2.gz BLSTXHCXIPNDKU-FCEUIQTBSA-N 2 0 374.569 3.937 20 0 FHADRP C[C@@H]1CC([N@@H+]2CC[C@@H](Oc3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056012 946320832 /nfs/dbraw/zinc/32/08/32/946320832.db2.gz ZWTQOSCBSVSWOA-DNVFCKCGSA-N 2 0 365.521 3.976 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc(O)cc2)CC1 ZINC000520289247 946354178 /nfs/dbraw/zinc/35/41/78/946354178.db2.gz BAXCQUDPHVESCM-UHFFFAOYSA-N 2 0 353.510 3.556 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000520290343 946366031 /nfs/dbraw/zinc/36/60/31/946366031.db2.gz GNPBNBJYXWXTJH-UYAOXDASSA-N 2 0 357.542 3.641 20 0 FHADRP Cc1ccccc1-c1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000441330261 946461089 /nfs/dbraw/zinc/46/10/89/946461089.db2.gz LKDWAHXSQNREBK-UHFFFAOYSA-N 2 0 351.538 3.778 20 0 FHADRP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132642 946468276 /nfs/dbraw/zinc/46/82/76/946468276.db2.gz AQFUZMQOZBPUHM-WOJBJXKFSA-N 2 0 373.928 3.800 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000441350160 946503106 /nfs/dbraw/zinc/50/31/06/946503106.db2.gz QKBTUFPTNWDHIE-UHFFFAOYSA-N 2 0 359.489 3.510 20 0 FHADRP C[C@H](OC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363694 946510193 /nfs/dbraw/zinc/51/01/93/946510193.db2.gz KBPDXUVWWCEBHP-VDGAXYAQSA-N 2 0 368.949 3.585 20 0 FHADRP CC[N@H+](CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000652236929 946514881 /nfs/dbraw/zinc/51/48/81/946514881.db2.gz CYOXVUHJCVHLCL-UHFFFAOYSA-N 2 0 350.469 3.857 20 0 FHADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410305 946563713 /nfs/dbraw/zinc/56/37/13/946563713.db2.gz LBGFVPSCOQJEAM-XMSQKQJNSA-N 2 0 358.526 3.803 20 0 FHADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410294 946564296 /nfs/dbraw/zinc/56/42/96/946564296.db2.gz LBGFVPSCOQJEAM-AVRDEDQJSA-N 2 0 358.526 3.803 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417357717 946569889 /nfs/dbraw/zinc/56/98/89/946569889.db2.gz HDQSCSCTOBMUQI-YSIASYRMSA-N 2 0 370.562 3.857 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000652278532 946571817 /nfs/dbraw/zinc/57/18/17/946571817.db2.gz RYPHMPBHUZOVJE-ZNLUXHQJSA-N 2 0 369.509 3.593 20 0 FHADRP C[C@@H]1C[C@@H](n2cncc2C2CC[NH2+]CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058075 946595572 /nfs/dbraw/zinc/59/55/72/946595572.db2.gz AVBDVVYCJPAPCI-RMFSNUHRSA-N 2 0 352.526 3.964 20 0 FHADRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545897 946656386 /nfs/dbraw/zinc/65/63/86/946656386.db2.gz OBNMWGTVDLGRPQ-FCHUYYIVSA-N 2 0 365.521 3.625 20 0 FHADRP C[C@H]([NH2+][C@H]1CCCc2occc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192831554 946699986 /nfs/dbraw/zinc/69/99/86/946699986.db2.gz PPCAQZYFTUPYMR-KXBFYZLASA-N 2 0 357.473 3.899 20 0 FHADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000164525841 946700128 /nfs/dbraw/zinc/70/01/28/946700128.db2.gz UQIIWTHWSPNSIT-OAQYLSRUSA-N 2 0 364.493 3.812 20 0 FHADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001167991040 946709739 /nfs/dbraw/zinc/70/97/39/946709739.db2.gz FFWQONRYUPQLMB-OAHLLOKOSA-N 2 0 366.444 3.522 20 0 FHADRP C[NH+](C)Cc1cc(-c2cnc3c(cnn3C3CC[NH+](C)CC3)c2)ccc1F ZINC000623169938 946716021 /nfs/dbraw/zinc/71/60/21/946716021.db2.gz SJYBSXQASSMZBF-UHFFFAOYSA-N 2 0 367.472 3.566 20 0 FHADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000475225876 946734899 /nfs/dbraw/zinc/73/48/99/946734899.db2.gz VLHLBQYDGVZYRD-FPOVZHCZSA-N 2 0 350.506 3.664 20 0 FHADRP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000475224251 946746827 /nfs/dbraw/zinc/74/68/27/946746827.db2.gz MWDXNQXPFJEGCU-OAQYLSRUSA-N 2 0 352.526 3.538 20 0 FHADRP Clc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000475280314 946801269 /nfs/dbraw/zinc/80/12/69/946801269.db2.gz PUFWVILDMZQNFB-KRWDZBQOSA-N 2 0 354.885 3.599 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179103285 946822038 /nfs/dbraw/zinc/82/20/38/946822038.db2.gz OGXWGHPMXWEBSE-SFHVURJKSA-N 2 0 372.944 3.594 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179103298 946822190 /nfs/dbraw/zinc/82/21/90/946822190.db2.gz OGXWGHPMXWEBSE-GOSISDBHSA-N 2 0 372.944 3.594 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284925 946823569 /nfs/dbraw/zinc/82/35/69/946823569.db2.gz KTMSXHYHCJRXAK-NVXWUHKLSA-N 2 0 355.448 3.601 20 0 FHADRP c1cn(-c2csc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)cn1 ZINC000475285813 946824632 /nfs/dbraw/zinc/82/46/32/946824632.db2.gz HRXJJQUCPGRSAL-SFHVURJKSA-N 2 0 352.507 3.546 20 0 FHADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824585330 946835045 /nfs/dbraw/zinc/83/50/45/946835045.db2.gz PXJRKTNFKJSXEA-KRWDZBQOSA-N 2 0 356.518 3.564 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348639 946886476 /nfs/dbraw/zinc/88/64/76/946886476.db2.gz LRBCQKUDLMBHTN-MQSCRBSSSA-N 2 0 368.521 3.827 20 0 FHADRP C[C@H]1CC([NH+]2CCC(n3ccnc3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061369 946889257 /nfs/dbraw/zinc/88/92/57/946889257.db2.gz IBNWWSPKTKUBMN-OALUTQOASA-N 2 0 352.526 3.962 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349622 946890858 /nfs/dbraw/zinc/89/08/58/946890858.db2.gz VWEGSEIOUWECAQ-QXCFHYIPSA-N 2 0 355.482 3.621 20 0 FHADRP CC(C)(C)c1cccc(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348334 946891481 /nfs/dbraw/zinc/89/14/81/946891481.db2.gz AKINCVYAMWZISW-CZTZKLFOSA-N 2 0 374.569 3.971 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)C1 ZINC000652348592 946893733 /nfs/dbraw/zinc/89/37/33/946893733.db2.gz JIFXUOVZGFREPS-MQSCRBSSSA-N 2 0 352.522 3.991 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360706 946927796 /nfs/dbraw/zinc/92/77/96/946927796.db2.gz OGUJMXUNENAKCN-XOKHGSTOSA-N 2 0 373.324 3.733 20 0 FHADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000511918486 946975095 /nfs/dbraw/zinc/97/50/95/946975095.db2.gz FIZKVAGGGQTZQF-NRFANRHFSA-N 2 0 372.557 3.711 20 0 FHADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978839 947023369 /nfs/dbraw/zinc/02/33/69/947023369.db2.gz ZCYFWNWTTIOVGO-SJORKVTESA-N 2 0 374.916 3.644 20 0 FHADRP C[C@@H]1CC(N2CC[N@H+](C)CC23CCCC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064009 947030132 /nfs/dbraw/zinc/03/01/32/947030132.db2.gz GUSPQQNDGWPTDD-WOJBJXKFSA-N 2 0 355.570 3.988 20 0 FHADRP C[C@@H]1C[C@@H](N2CC([NH+]3CCC(F)CC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064601 947065181 /nfs/dbraw/zinc/06/51/81/947065181.db2.gz QNMYDIKOZQEAOE-RMFSNUHRSA-N 2 0 359.533 3.546 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192918519 947105433 /nfs/dbraw/zinc/10/54/33/947105433.db2.gz IICMEETVRSXQCO-AZUAARDMSA-N 2 0 351.494 3.515 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192918495 947106099 /nfs/dbraw/zinc/10/60/99/947106099.db2.gz IICMEETVRSXQCO-ICSRJNTNSA-N 2 0 351.494 3.515 20 0 FHADRP Brc1sccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000388568914 947258264 /nfs/dbraw/zinc/25/82/64/947258264.db2.gz YFNBYUBPURWIAX-UHFFFAOYSA-N 2 0 352.301 3.664 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)c2ncc(C)s2)CC1 ZINC000544617568 947270735 /nfs/dbraw/zinc/27/07/35/947270735.db2.gz SMANJINXZRJXEM-QGZVFWFLSA-N 2 0 372.582 3.877 20 0 FHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000248519136 947291532 /nfs/dbraw/zinc/29/15/32/947291532.db2.gz QITITJXGYQPUJJ-KGLIPLIRSA-N 2 0 355.320 3.926 20 0 FHADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000252198993 947356027 /nfs/dbraw/zinc/35/60/27/947356027.db2.gz SWIPYEFOGIEWFS-DENIHFKCSA-N 2 0 371.569 3.940 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000520451874 947504707 /nfs/dbraw/zinc/50/47/07/947504707.db2.gz ALWHVJICXIHSRB-XOKHGSTOSA-N 2 0 371.447 3.885 20 0 FHADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274755 947698537 /nfs/dbraw/zinc/69/85/37/947698537.db2.gz WROCSANSXBNTON-ZWKOTPCHSA-N 2 0 355.482 3.562 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290230 947712526 /nfs/dbraw/zinc/71/25/26/947712526.db2.gz BKJFFRAGZWMLIZ-NVXWUHKLSA-N 2 0 363.933 3.687 20 0 FHADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)o2)cc1 ZINC000662291580 947713476 /nfs/dbraw/zinc/71/34/76/947713476.db2.gz IPSUYONGBNZQND-SFHVURJKSA-N 2 0 355.482 3.562 20 0 FHADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662297593 947719372 /nfs/dbraw/zinc/71/93/72/947719372.db2.gz RIZRQTBSYLNHBR-LJQANCHMSA-N 2 0 354.498 3.511 20 0 FHADRP C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313248 947738674 /nfs/dbraw/zinc/73/86/74/947738674.db2.gz HVBHRCQEHJHSNZ-MDZRGWNJSA-N 2 0 365.587 3.791 20 0 FHADRP Cc1ccc(C)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327253 947752391 /nfs/dbraw/zinc/75/23/91/947752391.db2.gz HINDJZJCTLGDDJ-UHFFFAOYSA-N 2 0 352.526 3.873 20 0 FHADRP COc1cccc([C@@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662326951 947758252 /nfs/dbraw/zinc/75/82/52/947758252.db2.gz HTHKPPJOIRIENK-MRXNPFEDSA-N 2 0 368.525 3.826 20 0 FHADRP CCc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326894 947758396 /nfs/dbraw/zinc/75/83/96/947758396.db2.gz GQWIZMYJSMDQMD-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344123 947807232 /nfs/dbraw/zinc/80/72/32/947807232.db2.gz OMPOBLVEGVBEJG-GOSISDBHSA-N 2 0 356.489 3.531 20 0 FHADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cccc2c1C[NH2+]C2 ZINC000662460413 947831019 /nfs/dbraw/zinc/83/10/19/947831019.db2.gz ISHDSXSHROFSNJ-UHFFFAOYSA-N 2 0 363.505 3.596 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000662467807 947833036 /nfs/dbraw/zinc/83/30/36/947833036.db2.gz GTTAFJLOLKQITI-HLAWJBBLSA-N 2 0 359.558 3.509 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662526928 947895850 /nfs/dbraw/zinc/89/58/50/947895850.db2.gz NKDXBQRTCOLNNL-HRQSHJORSA-N 2 0 369.553 3.543 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000511978007 947973102 /nfs/dbraw/zinc/97/31/02/947973102.db2.gz ROLANFLVRBBGBV-IBGZPJMESA-N 2 0 359.558 3.769 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc4c3CC[NH2+]C4)cc2)C1 ZINC000662675622 947974133 /nfs/dbraw/zinc/97/41/33/947974133.db2.gz NUCYRNIZNDFCKW-QGZVFWFLSA-N 2 0 363.505 3.817 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675355 947976332 /nfs/dbraw/zinc/97/63/32/947976332.db2.gz LXTQXOMZSMUNGI-KSSFIOAISA-N 2 0 369.431 3.542 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466157 948050730 /nfs/dbraw/zinc/05/07/30/948050730.db2.gz ORJSBZIRQRZNBY-REWPJTCUSA-N 2 0 369.597 3.794 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466778 948058297 /nfs/dbraw/zinc/05/82/97/948058297.db2.gz ACFHXXORCUQQTB-ICSRJNTNSA-N 2 0 357.542 3.732 20 0 FHADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000511988342 948071063 /nfs/dbraw/zinc/07/10/63/948071063.db2.gz IONLBTHQWQZHFO-CYBMUJFWSA-N 2 0 363.365 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001167821184 948075509 /nfs/dbraw/zinc/07/55/09/948075509.db2.gz CKAIDTQGCYMLJM-CEWLAPEOSA-N 2 0 357.542 3.767 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821585 948080125 /nfs/dbraw/zinc/08/01/25/948080125.db2.gz DWCPVVOIBQMVEK-GGAORHGYSA-N 2 0 373.585 3.868 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001167825591 948119937 /nfs/dbraw/zinc/11/99/37/948119937.db2.gz KHXXADHKEFYSOY-QGZVFWFLSA-N 2 0 355.567 3.876 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001167825372 948120246 /nfs/dbraw/zinc/12/02/46/948120246.db2.gz JYAPBBAKEGAXAM-KRWDZBQOSA-N 2 0 372.513 3.517 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000663506540 948125216 /nfs/dbraw/zinc/12/52/16/948125216.db2.gz ULJMGYRVIWNZLR-IRLDBZIGSA-N 2 0 371.569 3.683 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000663506096 948126699 /nfs/dbraw/zinc/12/66/99/948126699.db2.gz PTLMPUAUNOHMFF-KAGYGMCKSA-N 2 0 371.569 3.539 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825727 948126887 /nfs/dbraw/zinc/12/68/87/948126887.db2.gz SRIZNBIDYLSIIK-RBUKOAKNSA-N 3 0 353.595 3.509 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC001167826190 948128566 /nfs/dbraw/zinc/12/85/66/948128566.db2.gz OMXRXBNLRQSIHJ-LJQANCHMSA-N 2 0 351.579 3.612 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+]2C[C@@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826735 948135969 /nfs/dbraw/zinc/13/59/69/948135969.db2.gz QXEQXGBMKHCLQP-FUDKSRODSA-N 2 0 373.585 3.643 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001167827527 948151779 /nfs/dbraw/zinc/15/17/79/948151779.db2.gz TYICLLNECZSNTG-GOSISDBHSA-N 2 0 362.562 3.526 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001167827683 948156361 /nfs/dbraw/zinc/15/63/61/948156361.db2.gz UTBBEEOTWWJOAV-FPOVZHCZSA-N 2 0 371.569 3.635 20 0 FHADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1Oc1cccnc1 ZINC000432349726 948189712 /nfs/dbraw/zinc/18/97/12/948189712.db2.gz AMBIPDCWKHWEFF-LJQANCHMSA-N 2 0 369.509 3.773 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000432352168 948198133 /nfs/dbraw/zinc/19/81/33/948198133.db2.gz WDMRJAZZXOXDBY-ZDUSSCGKSA-N 2 0 364.839 3.949 20 0 FHADRP COc1ccccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432368254 948236719 /nfs/dbraw/zinc/23/67/19/948236719.db2.gz PCPSVMGGBCIMEG-IBGZPJMESA-N 2 0 368.521 3.953 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001167833911 948240577 /nfs/dbraw/zinc/24/05/77/948240577.db2.gz FSFXLZXWVMLUNI-IBGZPJMESA-N 2 0 359.558 3.734 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001167833923 948241148 /nfs/dbraw/zinc/24/11/48/948241148.db2.gz FWYMPXAUZIOIBS-KRWDZBQOSA-N 2 0 363.521 3.530 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045626 948297037 /nfs/dbraw/zinc/29/70/37/948297037.db2.gz NUMPEZXBHRXQRQ-IEBWSBKVSA-N 2 0 372.582 3.595 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC[C@H](COC(C)=O)C2)CC1 ZINC001167839874 948320701 /nfs/dbraw/zinc/32/07/01/948320701.db2.gz CJOLTKVRVSSQKU-ICSRJNTNSA-N 2 0 352.563 3.942 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367457 948386810 /nfs/dbraw/zinc/38/68/10/948386810.db2.gz WLXXRQMITUKXHR-DLBZAZTESA-N 2 0 358.530 3.695 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000512089818 948393029 /nfs/dbraw/zinc/39/30/29/948393029.db2.gz SYTMSTSZWFQTDQ-UHFFFAOYSA-N 2 0 363.505 3.860 20 0 FHADRP CC[NH+](CC)CCOCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432428841 948394308 /nfs/dbraw/zinc/39/43/08/948394308.db2.gz NJAOLZRBUAWWAU-UHFFFAOYSA-N 2 0 369.347 3.643 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374751 948422574 /nfs/dbraw/zinc/42/25/74/948422574.db2.gz YRFSCSKDHLRIMY-MJGOQNOKSA-N 2 0 352.526 3.932 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184234918 948545349 /nfs/dbraw/zinc/54/53/49/948545349.db2.gz XYNOZNHJDNXWRW-GOSISDBHSA-N 2 0 357.542 3.628 20 0 FHADRP COc1cccc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000500450429 948663122 /nfs/dbraw/zinc/66/31/22/948663122.db2.gz GMUANSJPMBJOBA-UHFFFAOYSA-N 2 0 373.928 3.651 20 0 FHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3nc(C)c(C)o3)CC1)CC2 ZINC000162739868 948763094 /nfs/dbraw/zinc/76/30/94/948763094.db2.gz AWEUAKHWDYGOOX-NRFANRHFSA-N 2 0 369.509 3.789 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000067452849 948791617 /nfs/dbraw/zinc/79/16/17/948791617.db2.gz UGXJZZPHBBIXED-GASCZTMLSA-N 2 0 360.420 3.564 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000067453143 948795647 /nfs/dbraw/zinc/79/56/47/948795647.db2.gz VRIPEOWWORJUEM-ZIAGYGMSSA-N 2 0 373.310 3.567 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1)C1CC[NH+](C)CC1 ZINC000428402884 948812341 /nfs/dbraw/zinc/81/23/41/948812341.db2.gz PNPQABJUGBGJSC-JOCHJYFZSA-N 2 0 371.569 3.608 20 0 FHADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194441 567949483 /nfs/dbraw/zinc/94/94/83/567949483.db2.gz IJKVLPVHYGWFQX-NRFANRHFSA-N 2 0 369.553 3.633 20 0 FHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104494 567963799 /nfs/dbraw/zinc/96/37/99/567963799.db2.gz XCRUKAUTFWWNRA-MOPGFXCFSA-N 2 0 360.542 3.978 20 0 FHADRP C[C@]12CC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]1C2(F)F ZINC000644835201 568010114 /nfs/dbraw/zinc/01/01/14/568010114.db2.gz XGDGVGIIEQLLON-MOPGFXCFSA-N 2 0 350.453 3.638 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000303238640 568261984 /nfs/dbraw/zinc/26/19/84/568261984.db2.gz HXQAFSDDONQOKR-SJBKTWHCSA-N 2 0 373.585 3.944 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135879 568274418 /nfs/dbraw/zinc/27/44/18/568274418.db2.gz VLNCUCRQCLVIJF-SJORKVTESA-N 2 0 357.523 3.640 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000604418434 568276201 /nfs/dbraw/zinc/27/62/01/568276201.db2.gz YWXZXTYDTWURMD-YJBOKZPZSA-N 2 0 369.347 3.676 20 0 FHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000317206214 568501744 /nfs/dbraw/zinc/50/17/44/568501744.db2.gz ZLCMNLFCQBPJQM-AWEZNQCLSA-N 2 0 362.315 3.817 20 0 FHADRP CC1(C)C[NH+](Cc2ccccc2C[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999108 568512498 /nfs/dbraw/zinc/51/24/98/568512498.db2.gz NCUSLOOOXBMKRC-UHFFFAOYSA-N 2 0 360.542 3.688 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820437846 599367613 /nfs/dbraw/zinc/36/76/13/599367613.db2.gz DVTOZXLCONAAGQ-INIZCTEOSA-N 2 0 364.497 3.558 20 0 FHADRP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001164837000 720716227 /nfs/dbraw/zinc/71/62/27/720716227.db2.gz CPEVTTFQELDBRT-OAQYLSRUSA-N 2 0 365.521 3.958 20 0 FHADRP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026116 721811116 /nfs/dbraw/zinc/81/11/16/721811116.db2.gz PGAAMVMZFWNBRV-DZFGPLHGSA-N 2 0 366.509 3.612 20 0 FHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164940171 721931938 /nfs/dbraw/zinc/93/19/38/721931938.db2.gz RBJMCSKEUAOVMF-UHFFFAOYSA-N 2 0 365.521 3.878 20 0 FHADRP [NH3+][C@H](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000237856790 936313287 /nfs/dbraw/zinc/31/32/87/936313287.db2.gz STWBCABIGOOZJL-WOJBJXKFSA-N 2 0 371.912 3.683 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000583025056 936376583 /nfs/dbraw/zinc/37/65/83/936376583.db2.gz OVPJOZHHHIFQJP-GOSISDBHSA-N 2 0 370.468 3.805 20 0 FHADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1CCCCC1 ZINC000044715220 927289989 /nfs/dbraw/zinc/28/99/89/927289989.db2.gz QXSXWVZOQQSDQB-IBGZPJMESA-N 2 0 371.569 3.668 20 0 FHADRP Brc1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546184 927423612 /nfs/dbraw/zinc/42/36/12/927423612.db2.gz KBQSWVNGLLYROV-HOCLYGCPSA-N 2 0 365.315 3.927 20 0 FHADRP Fc1cccc(Cl)c1CCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000278112485 937202119 /nfs/dbraw/zinc/20/21/19/937202119.db2.gz BQVMLKJYXMLXFW-OAHLLOKOSA-N 2 0 354.897 3.502 20 0 FHADRP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591501 927966776 /nfs/dbraw/zinc/96/67/76/927966776.db2.gz NHCGRHMKTYPHDM-VQIMIIECSA-N 2 0 369.475 3.521 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000583225796 937255554 /nfs/dbraw/zinc/25/55/54/937255554.db2.gz BZUBLMCDWHHSGA-IFMALSPDSA-N 2 0 367.537 3.913 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000246896008 928721983 /nfs/dbraw/zinc/72/19/83/928721983.db2.gz FQCJFLXNMHYZRC-RTBURBONSA-N 2 0 357.542 3.976 20 0 FHADRP C[C@@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000262697251 937280848 /nfs/dbraw/zinc/28/08/48/937280848.db2.gz XWWWXAJSCKUMTI-TZIWHRDSSA-N 2 0 371.569 3.797 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000154498602 928862624 /nfs/dbraw/zinc/86/26/24/928862624.db2.gz UZFVNINZBWGJMS-INIZCTEOSA-N 2 0 357.464 3.774 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000533449924 928933907 /nfs/dbraw/zinc/93/39/07/928933907.db2.gz XBNYKHGJYJCHSO-FCHUYYIVSA-N 2 0 371.569 3.525 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119246 929380074 /nfs/dbraw/zinc/38/00/74/929380074.db2.gz UDJSIRIIMLTSRF-NZQKXSOJSA-N 2 0 351.538 3.700 20 0 FHADRP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515801 929536449 /nfs/dbraw/zinc/53/64/49/929536449.db2.gz ZLIKQRUXNRFXNK-FYYLOGMGSA-N 2 0 368.521 3.611 20 0 FHADRP Cn1cc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000180534627 929543453 /nfs/dbraw/zinc/54/34/53/929543453.db2.gz VCWMHLDZAWDDHG-NRFANRHFSA-N 2 0 358.505 3.894 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180711937 929625147 /nfs/dbraw/zinc/62/51/47/929625147.db2.gz IRRJCKHLVURKNQ-UHFFFAOYSA-N 2 0 373.491 3.670 20 0 FHADRP CCCC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123170631 929886026 /nfs/dbraw/zinc/88/60/26/929886026.db2.gz FXQZJKVTEABBOQ-KRWDZBQOSA-N 2 0 355.526 3.888 20 0 FHADRP COc1cc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)ccc1SC ZINC000092674254 937379646 /nfs/dbraw/zinc/37/96/46/937379646.db2.gz UMANSMFJMLATPK-UHFFFAOYSA-N 2 0 374.550 3.990 20 0 FHADRP COc1ccc([C@H](CC(C)C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000647288392 937386229 /nfs/dbraw/zinc/38/62/29/937386229.db2.gz BKRXTSLSEXWMRS-UGKGYDQZSA-N 2 0 359.558 3.541 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683765737 930085245 /nfs/dbraw/zinc/08/52/45/930085245.db2.gz BYQIHBBUEVRNGA-UHFFFAOYSA-N 2 0 374.532 3.662 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000583375508 937392047 /nfs/dbraw/zinc/39/20/47/937392047.db2.gz QVZSBHHEKDRYPX-HRCADAONSA-N 2 0 354.441 3.697 20 0 FHADRP CN(c1ccccc1C[NH2+]CCCNc1ccccc1)C1CC[NH+](C)CC1 ZINC000150942764 937386575 /nfs/dbraw/zinc/38/65/75/937386575.db2.gz NRMHUXHEAUDAOL-UHFFFAOYSA-N 2 0 366.553 3.809 20 0 FHADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371348 930173726 /nfs/dbraw/zinc/17/37/26/930173726.db2.gz JHFVXZFMPVJNSC-FXAWDEMLSA-N 2 0 351.485 3.516 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000580067798 930208706 /nfs/dbraw/zinc/20/87/06/930208706.db2.gz JSDUGHRBYKQORC-QFBILLFUSA-N 2 0 371.550 3.971 20 0 FHADRP Cc1ccc(NC(=O)[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2)cc1 ZINC000656127313 930303606 /nfs/dbraw/zinc/30/36/06/930303606.db2.gz XXAAZUZEEVTVDG-JRGCBEDISA-N 2 0 351.494 3.605 20 0 FHADRP C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000580378690 930594836 /nfs/dbraw/zinc/59/48/36/930594836.db2.gz YHMLAJSTQKZLMB-MOXWOTFGSA-N 2 0 371.569 3.570 20 0 FHADRP CC1(C)CC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000580395453 930623501 /nfs/dbraw/zinc/62/35/01/930623501.db2.gz JZWJOHSZVWDULI-MRXNPFEDSA-N 2 0 358.448 3.508 20 0 FHADRP c1c2ccccc2[nH]c1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000683928279 930640050 /nfs/dbraw/zinc/64/00/50/930640050.db2.gz ZICNEHFFCLGBLH-UHFFFAOYSA-N 2 0 362.521 3.860 20 0 FHADRP CC(C)(C)[N@@H+]1C[C@@H](c2nc(C3([NH3+])CCCCC3)no2)[C@H](C(F)(F)F)C1 ZINC000580421974 930663008 /nfs/dbraw/zinc/66/30/08/930663008.db2.gz PJWKEEBJYDRQKG-VXGBXAGGSA-N 2 0 360.424 3.564 20 0 FHADRP Cc1nccn1CCCCN1CCc2cc(Br)cc(F)c2C1 ZINC000580444642 930685856 /nfs/dbraw/zinc/68/58/56/930685856.db2.gz OMLHAUICEKTLDG-UHFFFAOYSA-N 2 0 366.278 3.932 20 0 FHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000580550858 930840622 /nfs/dbraw/zinc/84/06/22/930840622.db2.gz AETMGCNPNKZVMZ-QOEFQVSFSA-N 2 0 369.484 3.828 20 0 FHADRP c1ccc(CC[NH+]2CCC([NH2+]CCc3nc4c(s3)CCCC4)CC2)cc1 ZINC000089667503 931001653 /nfs/dbraw/zinc/00/16/53/931001653.db2.gz WUFNARRPYFBJAC-UHFFFAOYSA-N 2 0 369.578 3.861 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)o1 ZINC000684089676 931240483 /nfs/dbraw/zinc/24/04/83/931240483.db2.gz PRGWUCJBCHGGOF-GOSISDBHSA-N 2 0 371.481 3.759 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000580836774 931249674 /nfs/dbraw/zinc/24/96/74/931249674.db2.gz KETKJVATPBMOKQ-ROUUACIJSA-N 2 0 357.542 3.823 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOc2ccccc2)cc1 ZINC000656406684 931603219 /nfs/dbraw/zinc/60/32/19/931603219.db2.gz VXAODDJTKGHXQT-RBVMOCNTSA-N 2 0 362.517 3.908 20 0 FHADRP CC[N@H+](C[C@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2ccccn2)CC1 ZINC000581134722 931606080 /nfs/dbraw/zinc/60/60/80/931606080.db2.gz YKMHDTWYZSSKJY-FQEVSTJZSA-N 2 0 370.516 3.502 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000564444624 931636070 /nfs/dbraw/zinc/63/60/70/931636070.db2.gz QNGWQFQYWDWDRG-UHFFFAOYSA-N 2 0 358.530 3.618 20 0 FHADRP COc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c(OC)c1OC ZINC000065976614 931672276 /nfs/dbraw/zinc/67/22/76/931672276.db2.gz SEWIIGAHDIQBHU-UHFFFAOYSA-N 2 0 372.509 3.842 20 0 FHADRP C[N@H+](CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCCCC1 ZINC000684163245 931692814 /nfs/dbraw/zinc/69/28/14/931692814.db2.gz INGRKOVJDSWDBA-UHFFFAOYSA-N 2 0 363.590 3.756 20 0 FHADRP Cc1ncncc1[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000581320717 931827250 /nfs/dbraw/zinc/82/72/50/931827250.db2.gz MBZCSYBOFPVLHZ-SFHVURJKSA-N 2 0 368.525 3.507 20 0 FHADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000581362702 931898122 /nfs/dbraw/zinc/89/81/22/931898122.db2.gz BRCSEOMRTWUDOU-MDZRGWNJSA-N 2 0 354.922 3.507 20 0 FHADRP CCC[NH+]1CCC(N(C)Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000510421288 932012329 /nfs/dbraw/zinc/01/23/29/932012329.db2.gz JWQZGLKCWOMQFK-UHFFFAOYSA-N 2 0 353.510 3.967 20 0 FHADRP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n(-c2ccccn2)n1 ZINC000647169075 932339591 /nfs/dbraw/zinc/33/95/91/932339591.db2.gz XYUJDYAJQJFIGG-UHFFFAOYSA-N 2 0 361.493 3.543 20 0 FHADRP c1cncc(COc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc2)c1 ZINC000656784344 932419252 /nfs/dbraw/zinc/41/92/52/932419252.db2.gz ARQHZTOKNDMFKQ-QFIPXVFZSA-N 2 0 365.521 3.872 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689568 932507315 /nfs/dbraw/zinc/50/73/15/932507315.db2.gz XMKORRXDFPTDBN-UONOGXRCSA-N 2 0 357.311 3.839 20 0 FHADRP CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](C)C(=O)OC)C2 ZINC001279517701 932621807 /nfs/dbraw/zinc/62/18/07/932621807.db2.gz OJAIHBIXCWXABO-IRFCIJBXSA-N 2 0 352.563 3.800 20 0 FHADRP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000891492559 932648811 /nfs/dbraw/zinc/64/88/11/932648811.db2.gz XBXYEYRJAQSMCD-UHFFFAOYSA-N 2 0 362.905 3.543 20 0 FHADRP CCC[NH+]1CCC(N(C)Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000510468586 932760984 /nfs/dbraw/zinc/76/09/84/932760984.db2.gz FLSCCKYMROEOPH-UHFFFAOYSA-N 2 0 372.601 3.525 20 0 FHADRP Cc1ccccc1-n1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000647198584 932977412 /nfs/dbraw/zinc/97/74/12/932977412.db2.gz NVYMIRAUXOAMHB-UHFFFAOYSA-N 2 0 361.493 3.582 20 0 FHADRP CSC1(C[NH2+][C@@H](COCc2ccccc2)C(C)C)CC[NH+](C)CC1 ZINC000581913886 933012962 /nfs/dbraw/zinc/01/29/62/933012962.db2.gz DNMISFZHBFCDDJ-IBGZPJMESA-N 2 0 350.572 3.645 20 0 FHADRP CCN1CCC([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000430741752 933192914 /nfs/dbraw/zinc/19/29/14/933192914.db2.gz DULHASOMUAHDLA-CTYIDZIISA-N 2 0 355.295 3.908 20 0 FHADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[C@H]1c1cccs1 ZINC000430812228 933247126 /nfs/dbraw/zinc/24/71/26/933247126.db2.gz VCFBTMRXMWLFKC-MTNOOBJLSA-N 2 0 363.571 3.545 20 0 FHADRP CC1CC[NH+](C2CCC(NC(=O)CC[N@H+](C)C3CCCCC3)CC2)CC1 ZINC000548392085 933311817 /nfs/dbraw/zinc/31/18/17/933311817.db2.gz WQWSXRQDVMHVRN-UHFFFAOYSA-N 2 0 363.590 3.800 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510674980 933397827 /nfs/dbraw/zinc/39/78/27/933397827.db2.gz LMGSLRXVWKAVTQ-BRWVUGGUSA-N 2 0 354.485 3.765 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430913204 933398216 /nfs/dbraw/zinc/39/82/16/933398216.db2.gz SNFSFBSQVXKWRC-UHFFFAOYSA-N 2 0 372.944 3.777 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2c1 ZINC000430921922 933420468 /nfs/dbraw/zinc/42/04/68/933420468.db2.gz VVAGKBABYKXIBO-UHFFFAOYSA-N 2 0 364.537 3.801 20 0 FHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000510684653 933421418 /nfs/dbraw/zinc/42/14/18/933421418.db2.gz JBKOEHZWCZXTER-QFBILLFUSA-N 2 0 372.475 3.709 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430924036 933421464 /nfs/dbraw/zinc/42/14/64/933421464.db2.gz HOMAWKLVYNIDPZ-AGIUHOORSA-N 2 0 372.340 3.618 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000430931446 933426994 /nfs/dbraw/zinc/42/69/94/933426994.db2.gz DBENARUCVZQQES-UHFFFAOYSA-N 2 0 360.505 3.971 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000430937908 933436017 /nfs/dbraw/zinc/43/60/17/933436017.db2.gz GCXKSACWVUQPKA-UHFFFAOYSA-N 2 0 364.287 3.536 20 0 FHADRP Cc1cccc(OCC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430944405 933458090 /nfs/dbraw/zinc/45/80/90/933458090.db2.gz LZKYAZUSVBLWPN-UHFFFAOYSA-N 2 0 373.585 3.502 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000430944365 933458566 /nfs/dbraw/zinc/45/85/66/933458566.db2.gz SZTRZGKNTOOGNJ-GFCCVEGCSA-N 2 0 364.287 3.663 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430956984 933486680 /nfs/dbraw/zinc/48/66/80/933486680.db2.gz MWXIOVNCMREQPH-KRWDZBQOSA-N 2 0 351.494 3.741 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000430967218 933517744 /nfs/dbraw/zinc/51/77/44/933517744.db2.gz RWBUEELCRURUFC-GFCCVEGCSA-N 2 0 364.287 3.663 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796543 933735774 /nfs/dbraw/zinc/73/57/74/933735774.db2.gz JIZINIFDLYLPLX-ZWKOTPCHSA-N 2 0 357.542 3.521 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092567694 934089864 /nfs/dbraw/zinc/08/98/64/934089864.db2.gz SSUZVNFLVFOFPV-LMDPOFIKSA-N 2 0 352.563 3.845 20 0 FHADRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799770 934426287 /nfs/dbraw/zinc/42/62/87/934426287.db2.gz QCTKCWSUHCNFKE-CZUORRHYSA-N 2 0 372.294 3.674 20 0 FHADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610812006 934471107 /nfs/dbraw/zinc/47/11/07/934471107.db2.gz HJCWJUAEVRESGC-INIZCTEOSA-N 2 0 372.294 3.674 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535898984 934732331 /nfs/dbraw/zinc/73/23/31/934732331.db2.gz QOSJAJFUQRKPKZ-QFIPXVFZSA-N 2 0 371.569 3.722 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000236630012 934755242 /nfs/dbraw/zinc/75/52/42/934755242.db2.gz JFNCQZWYBLTUFV-PMACEKPBSA-N 2 0 371.569 3.561 20 0 FHADRP C[C@@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236651548 934758029 /nfs/dbraw/zinc/75/80/29/934758029.db2.gz CESYIYUUCABCRS-UGKGYDQZSA-N 2 0 371.569 3.602 20 0 FHADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C1 ZINC000236721597 934768124 /nfs/dbraw/zinc/76/81/24/934768124.db2.gz REVRIPSJCUHGCX-JLYLLQBASA-N 2 0 355.526 3.908 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000236727870 934768519 /nfs/dbraw/zinc/76/85/19/934768519.db2.gz KXWHHNPBGYHBHH-UHFFFAOYSA-N 2 0 353.510 3.697 20 0 FHADRP Clc1cnc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000472036998 934869093 /nfs/dbraw/zinc/86/90/93/934869093.db2.gz GYIUSBGWNZTLIF-UHFFFAOYSA-N 2 0 365.930 3.603 20 0 FHADRP Cc1ccsc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000102781518 934892523 /nfs/dbraw/zinc/89/25/23/934892523.db2.gz PSRGRLHXJCYOAM-UHFFFAOYSA-N 2 0 374.550 3.836 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000236886565 934990851 /nfs/dbraw/zinc/99/08/51/934990851.db2.gz JYDBNYLCRCNGKJ-UTKZUKDTSA-N 2 0 369.509 3.682 20 0 FHADRP COc1ccsc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000472128073 935101261 /nfs/dbraw/zinc/10/12/61/935101261.db2.gz LWGQNILKFWCFOC-PKOBYXMFSA-N 2 0 373.566 3.786 20 0 FHADRP C[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000472143201 935175460 /nfs/dbraw/zinc/17/54/60/935175460.db2.gz YMOPZHYMUAARED-UXHICEINSA-N 2 0 359.602 3.778 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000472147859 935200824 /nfs/dbraw/zinc/20/08/24/935200824.db2.gz RULFOANDGRBUEF-HXUWFJFHSA-N 2 0 373.585 3.761 20 0 FHADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262049688 935203398 /nfs/dbraw/zinc/20/33/98/935203398.db2.gz QCUWWLGQNUAXCI-UHFFFAOYSA-N 2 0 352.526 3.745 20 0 FHADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000157849367 935211889 /nfs/dbraw/zinc/21/18/89/935211889.db2.gz ITJSYMJLOSVNNC-HOTGVXAUSA-N 2 0 366.937 3.696 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000157857391 935212835 /nfs/dbraw/zinc/21/28/35/935212835.db2.gz PWYSEVHMPFZGRT-ROUUACIJSA-N 2 0 359.514 3.948 20 0 FHADRP C[C@@H]1CSCCC[NH+]1Cc1cncc(C[N@H+]2CCCSC[C@H]2C)c1 ZINC000934297139 935286824 /nfs/dbraw/zinc/28/68/24/935286824.db2.gz AKFSMFMTYBKUDZ-IAGOWNOFSA-N 2 0 365.612 3.736 20 0 FHADRP c1nn2c(c1C[NH2+]CCCC[NH+]1CCC(Cc3ccccc3)CC1)CCC2 ZINC000657358271 935341709 /nfs/dbraw/zinc/34/17/09/935341709.db2.gz JPAKNFUDMBOTKG-UHFFFAOYSA-N 2 0 366.553 3.654 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000657362726 935372452 /nfs/dbraw/zinc/37/24/52/935372452.db2.gz GNBZTVHYPQRUMI-UHFFFAOYSA-N 2 0 366.278 3.643 20 0 FHADRP Cc1cccc2[nH]c(C[NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)cc21 ZINC000657376423 935452475 /nfs/dbraw/zinc/45/24/75/935452475.db2.gz GHGYMTDDZDZCSO-UHFFFAOYSA-N 2 0 354.542 3.516 20 0 FHADRP CC(C)n1ccnc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000657386754 935494799 /nfs/dbraw/zinc/49/47/99/935494799.db2.gz LTXYWZARJBVQMF-UHFFFAOYSA-N 2 0 370.541 3.625 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707969275 935538226 /nfs/dbraw/zinc/53/82/26/935538226.db2.gz ZPCCKGBCUNYKCP-OKYOBFRVSA-N 2 0 367.578 3.875 20 0 FHADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399450 935562167 /nfs/dbraw/zinc/56/21/67/935562167.db2.gz JBBFYAPMDBXRTA-WOJBJXKFSA-N 2 0 356.535 3.883 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000582414395 935670850 /nfs/dbraw/zinc/67/08/50/935670850.db2.gz GQMIQXUEYMJIOS-QVKFZJNVSA-N 2 0 372.944 3.990 20 0 FHADRP Fc1ccc(OC(F)F)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000657425079 935678789 /nfs/dbraw/zinc/67/87/89/935678789.db2.gz BYQBGPWXLPNHNG-UHFFFAOYSA-N 2 0 365.399 3.828 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000159137177 935801416 /nfs/dbraw/zinc/80/14/16/935801416.db2.gz CKKFURGDZJINCO-CVEARBPZSA-N 2 0 361.555 3.879 20 0 FHADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159144687 935802360 /nfs/dbraw/zinc/80/23/60/935802360.db2.gz JXIGPVUVZFRSFL-QGZVFWFLSA-N 2 0 364.493 3.739 20 0 FHADRP COCc1csc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000657459878 935817689 /nfs/dbraw/zinc/81/76/89/935817689.db2.gz JWBZANISNFXMHC-UHFFFAOYSA-N 2 0 360.523 3.657 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000564492879 935861130 /nfs/dbraw/zinc/86/11/30/935861130.db2.gz YBIRMVXCLGMGMS-FQEVSTJZSA-N 2 0 359.901 3.916 20 0 FHADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000657500466 935879161 /nfs/dbraw/zinc/87/91/61/935879161.db2.gz OLEAAUBINCOBHN-AAIMPIBUSA-N 2 0 368.521 3.535 20 0 FHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000626062163 935886806 /nfs/dbraw/zinc/88/68/06/935886806.db2.gz JXGHGLCEPYARAN-GOSISDBHSA-N 2 0 353.510 3.622 20 0 FHADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684960330 935907234 /nfs/dbraw/zinc/90/72/34/935907234.db2.gz OSYGOKIBVPHIGA-JOCHJYFZSA-N 2 0 365.521 3.766 20 0 FHADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000657535474 935971782 /nfs/dbraw/zinc/97/17/82/935971782.db2.gz NHMQMWKVKBBGGQ-GOSISDBHSA-N 2 0 352.526 3.505 20 0 FHADRP Clc1cccc2c1C[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000657537409 935975955 /nfs/dbraw/zinc/97/59/55/935975955.db2.gz JXLBPZLBXKVHRD-SFHVURJKSA-N 2 0 362.945 3.678 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1)c1ccccc1 ZINC000237412748 935977351 /nfs/dbraw/zinc/97/73/51/935977351.db2.gz DKRWHRNVIQVYHV-GAUHOVIDSA-N 2 0 369.553 3.687 20 0 FHADRP C[C@@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC[NH2+]CC1 ZINC000237412229 935979083 /nfs/dbraw/zinc/97/90/83/935979083.db2.gz GNQUFBZTDSEBJO-OALUTQOASA-N 2 0 371.569 3.792 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594294 936073997 /nfs/dbraw/zinc/07/39/97/936073997.db2.gz IDTAIWDEPVGNQE-LJQANCHMSA-N 2 0 364.411 3.562 20 0 FHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596230 936076215 /nfs/dbraw/zinc/07/62/15/936076215.db2.gz MPWLQCDJIDHQBM-HRAATJIYSA-N 2 0 358.913 3.627 20 0 FHADRP CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000657613888 936100583 /nfs/dbraw/zinc/10/05/83/936100583.db2.gz VUSKQZCWZIADGI-UHFFFAOYSA-N 2 0 353.510 3.791 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1)c1ccccc1 ZINC000237534540 936118295 /nfs/dbraw/zinc/11/82/95/936118295.db2.gz DKRWHRNVIQVYHV-XAJVHEMHSA-N 2 0 369.553 3.687 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CCN(Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000472266028 936174104 /nfs/dbraw/zinc/17/41/04/936174104.db2.gz ZZPCWCMRDHMQRV-KRWDZBQOSA-N 2 0 363.527 3.644 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C)C1CCCCC1 ZINC000582833130 936184898 /nfs/dbraw/zinc/18/48/98/936184898.db2.gz QUAXXLWTFGMIIP-IBGZPJMESA-N 2 0 358.530 3.713 20 0 FHADRP C[C@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000237677186 936204982 /nfs/dbraw/zinc/20/49/82/936204982.db2.gz VWQMVXUEFANYCW-KNQAVFIVSA-N 2 0 371.569 3.705 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000657669061 936208292 /nfs/dbraw/zinc/20/82/92/936208292.db2.gz BSAHFOPVXPJGKF-QGZVFWFLSA-N 2 0 357.876 3.617 20 0 FHADRP Cc1ccc(-c2ccc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)o2)cc1 ZINC000582873247 936243480 /nfs/dbraw/zinc/24/34/80/936243480.db2.gz OWSVAVJJYHZOKW-UHFFFAOYSA-N 2 0 367.537 3.714 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000120935306 936272636 /nfs/dbraw/zinc/27/26/36/936272636.db2.gz PCTBTDFVLMCGHK-LSDHHAIUSA-N 2 0 371.447 3.744 20 0 FHADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000150982859 938251579 /nfs/dbraw/zinc/25/15/79/938251579.db2.gz WOORGMSSCNQLSL-FQEVSTJZSA-N 2 0 365.565 3.823 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cncs2)CC1 ZINC000127237940 938260274 /nfs/dbraw/zinc/26/02/74/938260274.db2.gz QUZIGPFPVRINLF-CABCVRRESA-N 2 0 362.518 3.836 20 0 FHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000150996393 938261553 /nfs/dbraw/zinc/26/15/53/938261553.db2.gz XGPDAKGVXZPJLC-YADHBBJMSA-N 2 0 371.569 3.654 20 0 FHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000150996300 938261556 /nfs/dbraw/zinc/26/15/56/938261556.db2.gz XGPDAKGVXZPJLC-VXKWHMMOSA-N 2 0 371.569 3.654 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000583472443 938269325 /nfs/dbraw/zinc/26/93/25/938269325.db2.gz IRXZFFLOSQLRSE-FCHUYYIVSA-N 2 0 371.569 3.608 20 0 FHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705327 938282933 /nfs/dbraw/zinc/28/29/33/938282933.db2.gz DLZLWELYHIFQMA-SVMVAKDDSA-N 2 0 354.494 3.567 20 0 FHADRP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705482 938283064 /nfs/dbraw/zinc/28/30/64/938283064.db2.gz JFEORRLQTSGXOM-ONTIZHBOSA-N 2 0 360.542 3.830 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000650719366 938307485 /nfs/dbraw/zinc/30/74/85/938307485.db2.gz NUUDLVHPDWENRT-MRXNPFEDSA-N 2 0 373.928 3.586 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299425 938307972 /nfs/dbraw/zinc/30/79/72/938307972.db2.gz GJIZDGCCBSMKTC-GOTSBHOMSA-N 2 0 367.537 3.915 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cs2)cc1 ZINC000650722980 938310141 /nfs/dbraw/zinc/31/01/41/938310141.db2.gz FPFPQNFAYLLHKY-RLLQIKCJSA-N 2 0 371.550 3.979 20 0 FHADRP COc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2c1 ZINC000650721755 938310376 /nfs/dbraw/zinc/31/03/76/938310376.db2.gz AIIVTDKQQKEXIJ-FCEUIQTBSA-N 2 0 354.494 3.709 20 0 FHADRP Cn1nc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773901 938319323 /nfs/dbraw/zinc/31/93/23/938319323.db2.gz VTLUXBKEDPPFEZ-FQEVSTJZSA-N 2 0 374.532 3.965 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692865 938363239 /nfs/dbraw/zinc/36/32/39/938363239.db2.gz JYSYCSMCEYVALB-JJEXOMBSSA-N 2 0 374.594 3.853 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692866 938363311 /nfs/dbraw/zinc/36/33/11/938363311.db2.gz JYSYCSMCEYVALB-MAUQACMESA-N 2 0 374.594 3.853 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CCCn1ccnc1 ZINC000151126892 938388003 /nfs/dbraw/zinc/38/80/03/938388003.db2.gz XVMCAIIEDRCVAO-OAHLLOKOSA-N 2 0 350.260 3.539 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)c(F)c1 ZINC000650754343 938407991 /nfs/dbraw/zinc/40/79/91/938407991.db2.gz GVTXKQLBZIXAGX-MRXNPFEDSA-N 2 0 353.363 3.865 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762832 938447435 /nfs/dbraw/zinc/44/74/35/938447435.db2.gz LJRYARVWVCMSDU-INIZCTEOSA-N 2 0 353.304 3.642 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCCO2 ZINC000650763063 938448119 /nfs/dbraw/zinc/44/81/19/938448119.db2.gz PWZQFHSVHPXJPE-MRXNPFEDSA-N 2 0 353.304 3.642 20 0 FHADRP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000583908965 938481776 /nfs/dbraw/zinc/48/17/76/938481776.db2.gz XTVJPPMWXGCHRM-HUUCEWRRSA-N 2 0 371.447 3.596 20 0 FHADRP COc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1OC(F)F ZINC000657811490 938503901 /nfs/dbraw/zinc/50/39/01/938503901.db2.gz DLPTWSXTEBHRTP-UHFFFAOYSA-N 2 0 354.441 3.508 20 0 FHADRP Fc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1Br ZINC000657815853 938531858 /nfs/dbraw/zinc/53/18/58/938531858.db2.gz QPTOFISNQZAMIT-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(Br)ncc1F ZINC000278566997 938538230 /nfs/dbraw/zinc/53/82/30/938538230.db2.gz XBZQQQDFEXWCPR-NSHDSACASA-N 2 0 356.283 3.508 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000151595757 938595029 /nfs/dbraw/zinc/59/50/29/938595029.db2.gz QBCQTBGBAGQZAZ-UHFFFAOYSA-N 2 0 372.601 3.571 20 0 FHADRP OCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000647322409 938600128 /nfs/dbraw/zinc/60/01/28/938600128.db2.gz UQQQRJWODSKZNO-RJGXRXQPSA-N 2 0 350.506 3.569 20 0 FHADRP CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000657833541 938627653 /nfs/dbraw/zinc/62/76/53/938627653.db2.gz AQLGNUVULCIYDP-LEWJYISDSA-N 2 0 359.602 3.994 20 0 FHADRP C[NH+](C)CCc1ccc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC000584242102 938653688 /nfs/dbraw/zinc/65/36/88/938653688.db2.gz GVPDRRWTBTWFLK-UHFFFAOYSA-N 2 0 350.466 3.569 20 0 FHADRP Cn1cnc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC000584323269 938686713 /nfs/dbraw/zinc/68/67/13/938686713.db2.gz GLBRIUHNRZSIQB-NHCUHLMSSA-N 2 0 360.505 3.527 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000151819529 938687729 /nfs/dbraw/zinc/68/77/29/938687729.db2.gz AGCFAIPXJSGWLH-HNNXBMFYSA-N 2 0 362.514 3.909 20 0 FHADRP COc1ccccc1C1([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000647329385 938691107 /nfs/dbraw/zinc/69/11/07/938691107.db2.gz NRETUXREFHUSKW-KRWDZBQOSA-N 2 0 354.494 3.976 20 0 FHADRP CN(c1ccccc1CNc1cc2c(c[nH+]1)CCC2)C1CC[NH+](C)CC1 ZINC000584364286 938709058 /nfs/dbraw/zinc/70/90/58/938709058.db2.gz WWACLMXXLLCIPN-UHFFFAOYSA-N 2 0 350.510 3.713 20 0 FHADRP Cc1cc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)cc(C(F)(F)F)c1 ZINC001143454592 938789137 /nfs/dbraw/zinc/78/91/37/938789137.db2.gz JNXZSZAQYSABJO-UHFFFAOYSA-N 2 0 355.404 3.644 20 0 FHADRP CCc1ncc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000084013756 938817644 /nfs/dbraw/zinc/81/76/44/938817644.db2.gz PIXJWNMQKBARTI-UHFFFAOYSA-N 2 0 372.582 3.706 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000545589785 945206481 /nfs/dbraw/zinc/20/64/81/945206481.db2.gz DBRTWWXEGNDRSJ-PKOBYXMFSA-N 2 0 350.522 3.971 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)CC1 ZINC000090775411 938882691 /nfs/dbraw/zinc/88/26/91/938882691.db2.gz SWUBTTNNLBCYFL-UHFFFAOYSA-N 2 0 362.587 3.745 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285540 938899562 /nfs/dbraw/zinc/89/95/62/938899562.db2.gz FOODWWFBWMGZSF-DNVCBOLYSA-N 2 0 369.475 3.772 20 0 FHADRP CC(C)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091333425 938900144 /nfs/dbraw/zinc/90/01/44/938900144.db2.gz IVGWPHGNKRMPKX-MAUKXSAKSA-N 2 0 357.464 3.628 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091367510 938900534 /nfs/dbraw/zinc/90/05/34/938900534.db2.gz MNBKDLQPVBDBAD-LJQANCHMSA-N 2 0 369.475 3.772 20 0 FHADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C2CC2)cc1 ZINC000091368218 938900617 /nfs/dbraw/zinc/90/06/17/938900617.db2.gz IDCJOXHJMLXFHF-QFIPXVFZSA-N 2 0 371.569 3.662 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000708545989 938913893 /nfs/dbraw/zinc/91/38/93/938913893.db2.gz WFVKGCKFHPQVAU-XLIONFOSSA-N 2 0 354.494 3.562 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000519226297 945218024 /nfs/dbraw/zinc/21/80/24/945218024.db2.gz YIZSBMAFSVQCRF-SFHVURJKSA-N 2 0 351.579 3.515 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000657877758 938965803 /nfs/dbraw/zinc/96/58/03/938965803.db2.gz DFOKBYHQOMGHIA-UWBMWYGXSA-N 2 0 372.553 3.603 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000647344799 938979158 /nfs/dbraw/zinc/97/91/58/938979158.db2.gz ZMSUDVKJAWAFPE-ZEYPLWLESA-N 2 0 360.505 3.868 20 0 FHADRP C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457627 938987939 /nfs/dbraw/zinc/98/79/39/938987939.db2.gz HKFVPWMMNJJCRM-GOSISDBHSA-N 2 0 356.341 3.594 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000685459570 938989239 /nfs/dbraw/zinc/98/92/39/938989239.db2.gz KNQGEOGEWXBIEU-UHFFFAOYSA-N 2 0 370.541 3.516 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657890945 938990178 /nfs/dbraw/zinc/99/01/78/938990178.db2.gz XTFSAKHTMBIIKE-MOPGFXCFSA-N 2 0 368.521 3.934 20 0 FHADRP CN(C)C(=O)Sc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000176914857 938995190 /nfs/dbraw/zinc/99/51/90/938995190.db2.gz QGVFOEUZEOQAFA-UHFFFAOYSA-N 2 0 361.555 3.768 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000657907601 938996378 /nfs/dbraw/zinc/99/63/78/938996378.db2.gz PPUQWRVOLIHDSF-IPJJNNNSSA-N 2 0 374.569 3.564 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657930183 939009012 /nfs/dbraw/zinc/00/90/12/939009012.db2.gz BJXKRMULAPBJQI-OIBXWCBGSA-N 2 0 374.569 3.708 20 0 FHADRP c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657970839 939013691 /nfs/dbraw/zinc/01/36/91/939013691.db2.gz HXGMJNNQLOATLP-TUFLPTIASA-N 2 0 350.510 3.608 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019640 939018984 /nfs/dbraw/zinc/01/89/84/939018984.db2.gz UAADBRZXUIOVBU-XZOQPEGZSA-N 2 0 374.569 3.710 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067934 939021571 /nfs/dbraw/zinc/02/15/71/939021571.db2.gz SJXVOPKUQMBXFK-MSOLQXFVSA-N 2 0 360.542 3.668 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cnn(C2CCCC2)c1 ZINC000658069490 939021762 /nfs/dbraw/zinc/02/17/62/939021762.db2.gz FQGIQBRTRDHTIJ-KRWDZBQOSA-N 2 0 360.546 3.540 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069029 939021810 /nfs/dbraw/zinc/02/18/10/939021810.db2.gz JQXLAPXHEHNJQL-QFIPXVFZSA-N 2 0 358.526 3.553 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C(F)F)nc1 ZINC000658069536 939021826 /nfs/dbraw/zinc/02/18/26/939021826.db2.gz GVUNWLPXMBMQOO-CQSZACIVSA-N 2 0 353.457 3.561 20 0 FHADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070865 939021840 /nfs/dbraw/zinc/02/18/40/939021840.db2.gz SNLFATSUKUQMTE-HXUWFJFHSA-N 2 0 362.489 3.520 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136421 939030302 /nfs/dbraw/zinc/03/03/02/939030302.db2.gz IIIIOQKLBXFGOG-UZUQRXQVSA-N 2 0 350.506 3.981 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137070 939030719 /nfs/dbraw/zinc/03/07/19/939030719.db2.gz IRGAHCLZNWBNDF-RBBKRZOGSA-N 2 0 354.469 3.560 20 0 FHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc(C)c1F ZINC000658143120 939035917 /nfs/dbraw/zinc/03/59/17/939035917.db2.gz WRKQNIRXRDPZKT-LAUBAEHRSA-N 2 0 356.485 3.860 20 0 FHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc(C)c1F ZINC000658143121 939036250 /nfs/dbraw/zinc/03/62/50/939036250.db2.gz WRKQNIRXRDPZKT-UTKZUKDTSA-N 2 0 356.485 3.860 20 0 FHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143487 939036446 /nfs/dbraw/zinc/03/64/46/939036446.db2.gz YYLWTVSPXYRHBA-BVZALQNUSA-N 2 0 368.496 3.806 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143561 939036701 /nfs/dbraw/zinc/03/67/01/939036701.db2.gz ZIHJFUMDWVEVHB-DNVCBOLYSA-N 2 0 374.912 3.766 20 0 FHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137190 939040318 /nfs/dbraw/zinc/04/03/18/939040318.db2.gz JROHRFZNJFSHKS-DYESRHJHSA-N 2 0 370.562 3.696 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138054 939040388 /nfs/dbraw/zinc/04/03/88/939040388.db2.gz MJIFFCCTMWSULA-SZOBAZRNSA-N 2 0 350.506 3.535 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)cc2)C1 ZINC000658137693 939040792 /nfs/dbraw/zinc/04/07/92/939040792.db2.gz IALICVXZVYEYBU-XPWALMASSA-N 2 0 350.506 3.679 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000658162228 939051921 /nfs/dbraw/zinc/05/19/21/939051921.db2.gz CRJFYTLSPAHEOV-SFHVURJKSA-N 2 0 353.510 3.961 20 0 FHADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000658164357 939053191 /nfs/dbraw/zinc/05/31/91/939053191.db2.gz CRVDATYGWBMDME-QGZVFWFLSA-N 2 0 369.509 3.662 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C(F)F)nc1 ZINC000658165591 939053236 /nfs/dbraw/zinc/05/32/36/939053236.db2.gz SADVVBGFTVXLQE-OAHLLOKOSA-N 2 0 360.452 3.977 20 0 FHADRP COc1ncc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000658166087 939053273 /nfs/dbraw/zinc/05/32/73/939053273.db2.gz MHTZFDPQJRRBEP-HNNXBMFYSA-N 2 0 374.916 3.701 20 0 FHADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000658168003 939054127 /nfs/dbraw/zinc/05/41/27/939054127.db2.gz UZAXUPDVVCOUCT-SFHVURJKSA-N 2 0 370.566 3.980 20 0 FHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658166235 939054458 /nfs/dbraw/zinc/05/44/58/939054458.db2.gz NFSDYZMLMFITQG-KRWDZBQOSA-N 2 0 366.509 3.603 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000506439140 945227270 /nfs/dbraw/zinc/22/72/70/945227270.db2.gz MRGNRZWJFKHJQL-UHFFFAOYSA-N 2 0 369.475 3.993 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319725 939110377 /nfs/dbraw/zinc/11/03/77/939110377.db2.gz HJCWHZQCMWOAHE-KNQAVFIVSA-N 3 0 355.570 3.609 20 0 FHADRP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319421 939111615 /nfs/dbraw/zinc/11/16/15/939111615.db2.gz AMWIAQGYTZQBQP-WIYYLYMNSA-N 2 0 352.526 3.856 20 0 FHADRP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320433 939112028 /nfs/dbraw/zinc/11/20/28/939112028.db2.gz XUNGJNDJXBQMFS-TZIWHRDSSA-N 2 0 352.526 3.554 20 0 FHADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338592 939117098 /nfs/dbraw/zinc/11/70/98/939117098.db2.gz FQIWGUBGVYPRPK-KCDSLRJUSA-N 2 0 364.533 3.936 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658353010 939123563 /nfs/dbraw/zinc/12/35/63/939123563.db2.gz BCGROCRIBPETAP-AUSIDOKSSA-N 3 0 355.570 3.609 20 0 FHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357148 939125543 /nfs/dbraw/zinc/12/55/43/939125543.db2.gz RQSARBYQEUPSFV-KRWDZBQOSA-N 2 0 352.526 3.953 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225169 945231290 /nfs/dbraw/zinc/23/12/90/945231290.db2.gz WULDRDIGNRKCMV-UYAOXDASSA-N 2 0 351.579 3.610 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000519224242 945232944 /nfs/dbraw/zinc/23/29/44/945232944.db2.gz YTESSEWTZVINNF-UHFFFAOYSA-N 2 0 362.514 3.628 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000519228273 945233708 /nfs/dbraw/zinc/23/37/08/945233708.db2.gz CZSGVNBAXCGGJV-IBGZPJMESA-N 2 0 371.569 3.798 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(Cn4ccnc4)cn3)CC2)C1 ZINC000519231047 945236607 /nfs/dbraw/zinc/23/66/07/945236607.db2.gz ZDSMJOQLGLTMNO-XLIONFOSSA-N 2 0 353.514 3.781 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000427317066 945267637 /nfs/dbraw/zinc/26/76/37/945267637.db2.gz UAIRWYKULWAVNY-VQIMIIECSA-N 2 0 365.949 3.619 20 0 FHADRP OCC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507516762 945280117 /nfs/dbraw/zinc/28/01/17/945280117.db2.gz WTAMVSVSRMOMCC-MYDTUXCISA-N 2 0 350.506 3.610 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000431629315 939901693 /nfs/dbraw/zinc/90/16/93/939901693.db2.gz WDTOWFNPTBXZCH-QFIPXVFZSA-N 2 0 365.521 3.592 20 0 FHADRP CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000030664217 939932997 /nfs/dbraw/zinc/93/29/97/939932997.db2.gz XZUCQIUODPVYKO-UHFFFAOYSA-N 2 0 366.553 3.570 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000507511156 945290501 /nfs/dbraw/zinc/29/05/01/945290501.db2.gz NZPZCHMODKQRGH-AEFFLSMTSA-N 2 0 363.512 3.893 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCC4(CCCO4)CC3)CC2)cc1 ZINC000570019204 940090301 /nfs/dbraw/zinc/09/03/01/940090301.db2.gz MTGYNYWGMDITBR-UHFFFAOYSA-N 2 0 372.553 3.989 20 0 FHADRP CN(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000570023858 940092184 /nfs/dbraw/zinc/09/21/84/940092184.db2.gz UZOJZLZBHPFHIZ-HXUWFJFHSA-N 2 0 358.917 3.596 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c1 ZINC000065976470 940134263 /nfs/dbraw/zinc/13/42/63/940134263.db2.gz FKEOCOVJWAHBNQ-UHFFFAOYSA-N 2 0 363.509 3.612 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000507521554 945299751 /nfs/dbraw/zinc/29/97/51/945299751.db2.gz YYQXOGVEFYFAMV-SFHVURJKSA-N 2 0 353.510 3.969 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C)nc3C3CC3)cc2)CC1 ZINC000892506693 940176706 /nfs/dbraw/zinc/17/67/06/940176706.db2.gz JCZGBQIUMCFWJF-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP C[S@@](=O)Cc1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000376112457 940325592 /nfs/dbraw/zinc/32/55/92/940325592.db2.gz HYWWSZGJJWXXIT-RUZDIDTESA-N 2 0 362.583 3.699 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000376164790 940398101 /nfs/dbraw/zinc/39/81/01/940398101.db2.gz WTZLAVBFTYCEDU-XUEUYAKLSA-N 2 0 351.494 3.989 20 0 FHADRP Cc1cccc2oc(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)nc21 ZINC000570624451 940417656 /nfs/dbraw/zinc/41/76/56/940417656.db2.gz UXTUCYIUFUBYJE-JTSKRJEESA-N 2 0 363.461 3.524 20 0 FHADRP Fc1ccc(C2=CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000376178932 940427348 /nfs/dbraw/zinc/42/73/48/940427348.db2.gz VUDYOPBEGSLNNF-LAUBAEHRSA-N 2 0 358.501 3.852 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414099146 940505116 /nfs/dbraw/zinc/50/51/16/940505116.db2.gz JJQNTJDGKTZREH-ICSRJNTNSA-N 2 0 363.977 3.982 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414111601 940591262 /nfs/dbraw/zinc/59/12/62/940591262.db2.gz MOTUDUUKHUYOLM-QUCCMNQESA-N 2 0 363.977 3.982 20 0 FHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000414132680 940641403 /nfs/dbraw/zinc/64/14/03/940641403.db2.gz ZNDRYNHWHAIBHQ-LEWJYISDSA-N 2 0 374.569 3.715 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000414131479 940645007 /nfs/dbraw/zinc/64/50/07/940645007.db2.gz XZIRZQYSVNBKMB-IRFPFTSISA-N 2 0 365.521 3.806 20 0 FHADRP Clc1ccccc1C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCO1 ZINC000414194878 940742348 /nfs/dbraw/zinc/74/23/48/940742348.db2.gz WCFLRZBOQYQAIA-WOJBJXKFSA-N 2 0 355.869 3.868 20 0 FHADRP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H](CC)c1ccncc1 ZINC000414266860 940865104 /nfs/dbraw/zinc/86/51/04/940865104.db2.gz MNKQGBGRWGAQIC-BHIFYINESA-N 2 0 353.510 3.659 20 0 FHADRP OC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290871 940901255 /nfs/dbraw/zinc/90/12/55/940901255.db2.gz NYDWXHBDISVRHW-XBYSBRQOSA-N 2 0 368.496 3.687 20 0 FHADRP OC1(C[NH2+][C@H]2CCCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414292276 940910309 /nfs/dbraw/zinc/91/03/09/940910309.db2.gz AMHLNZMNUSVIJS-NRFANRHFSA-N 2 0 366.505 3.517 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000414296972 940913189 /nfs/dbraw/zinc/91/31/89/940913189.db2.gz FZYIFCCOGWNYHD-KRWDZBQOSA-N 2 0 366.496 3.817 20 0 FHADRP Cc1cccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000414300899 940916771 /nfs/dbraw/zinc/91/67/71/940916771.db2.gz JEBPZIJQOKEGGR-HXUWFJFHSA-N 2 0 352.522 3.981 20 0 FHADRP C[C@@H]1[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000414307635 940934533 /nfs/dbraw/zinc/93/45/33/940934533.db2.gz PLHXJHBWBXJRCJ-WWPVKYPJSA-N 2 0 364.533 3.795 20 0 FHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414312444 940949194 /nfs/dbraw/zinc/94/91/94/940949194.db2.gz WJLMYOLSSRYVMK-PMACEKPBSA-N 2 0 352.522 3.795 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582187 940949234 /nfs/dbraw/zinc/94/92/34/940949234.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 2 0 355.570 3.849 20 0 FHADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)n1C ZINC000414323108 940970382 /nfs/dbraw/zinc/97/03/82/940970382.db2.gz VUCVMQBBIIJPAK-UHFFFAOYSA-N 2 0 369.557 3.540 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414333617 940993732 /nfs/dbraw/zinc/99/37/32/940993732.db2.gz ATHFXTMRZUJWLW-RCZSKKKRSA-N 2 0 367.512 3.905 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414349233 941019606 /nfs/dbraw/zinc/01/96/06/941019606.db2.gz YDLMAGZOPILQEY-HXUWFJFHSA-N 2 0 371.550 3.686 20 0 FHADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665146 945368421 /nfs/dbraw/zinc/36/84/21/945368421.db2.gz UXEDPMQVJCJMBQ-QFIPXVFZSA-N 2 0 351.494 3.578 20 0 FHADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000580113810 941059883 /nfs/dbraw/zinc/05/98/83/941059883.db2.gz YCGLPOZPVDSECX-RTBURBONSA-N 2 0 361.549 3.543 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC(F)F ZINC000647542997 941062838 /nfs/dbraw/zinc/06/28/38/941062838.db2.gz GFFDRRJYCNTUEZ-CVEARBPZSA-N 2 0 354.441 3.508 20 0 FHADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C(C)C ZINC000057888856 941066630 /nfs/dbraw/zinc/06/66/30/941066630.db2.gz XNBFJSFTCFKPDI-LJQANCHMSA-N 2 0 351.579 3.608 20 0 FHADRP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889337 941067667 /nfs/dbraw/zinc/06/76/67/941067667.db2.gz CZOSWPWXEWSXGC-LJQANCHMSA-N 2 0 363.590 3.754 20 0 FHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553151 941074076 /nfs/dbraw/zinc/07/40/76/941074076.db2.gz CWNKDZMJOAWXNQ-GFCCVEGCSA-N 2 0 351.263 3.768 20 0 FHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423357776 941091052 /nfs/dbraw/zinc/09/10/52/941091052.db2.gz AREAFVZLXFYUMC-FGTMMUONSA-N 2 0 367.331 3.776 20 0 FHADRP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000177356626 941118740 /nfs/dbraw/zinc/11/87/40/941118740.db2.gz QXTGSLSDLYFIKC-CEXWTWQISA-N 2 0 365.562 3.630 20 0 FHADRP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000236589632 941128525 /nfs/dbraw/zinc/12/85/25/941128525.db2.gz WWPRPUJZLWGPCO-KDURUIRLSA-N 2 0 367.578 3.591 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000163579320 941130000 /nfs/dbraw/zinc/13/00/00/941130000.db2.gz IWGRTJAFSQYOAU-SFHVURJKSA-N 2 0 363.509 3.960 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000163589670 941139572 /nfs/dbraw/zinc/13/95/72/941139572.db2.gz UWMQXQBICAATQH-BXKMTCNYSA-N 2 0 350.572 3.833 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000163589793 941139573 /nfs/dbraw/zinc/13/95/73/941139573.db2.gz UWMQXQBICAATQH-MZNJEOGPSA-N 2 0 350.572 3.833 20 0 FHADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000589217563 941245209 /nfs/dbraw/zinc/24/52/09/941245209.db2.gz GSQUFBTWDMWKAM-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121019 941252915 /nfs/dbraw/zinc/25/29/15/941252915.db2.gz LTHDDHGSBGDLQD-HIFRSBDPSA-N 2 0 357.311 3.841 20 0 FHADRP Brc1ccc2nccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549142969 941521319 /nfs/dbraw/zinc/52/13/19/941521319.db2.gz RCHYDMVVXGDAKR-AWEZNQCLSA-N 2 0 360.299 3.919 20 0 FHADRP Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000472671407 941540522 /nfs/dbraw/zinc/54/05/22/941540522.db2.gz USFWGMSRNDRKMO-HNNXBMFYSA-N 2 0 360.933 3.943 20 0 FHADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415026546 941549757 /nfs/dbraw/zinc/54/97/57/941549757.db2.gz ULGOBTSQPYZOEQ-QGZVFWFLSA-N 2 0 364.493 3.765 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000415032722 941556512 /nfs/dbraw/zinc/55/65/12/941556512.db2.gz IELSDHWKOKKFMW-RISCZKNCSA-N 2 0 366.328 3.790 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415034290 941557274 /nfs/dbraw/zinc/55/72/74/941557274.db2.gz CPNFQFNHAIKSNO-OXQOHEQNSA-N 2 0 358.917 3.798 20 0 FHADRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCc1ccccc1 ZINC000415050371 941566213 /nfs/dbraw/zinc/56/62/13/941566213.db2.gz CBNFVMVJHBBVQZ-VGOFRKELSA-N 2 0 354.494 3.691 20 0 FHADRP c1ccc(CC[C@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415052877 941568097 /nfs/dbraw/zinc/56/80/97/941568097.db2.gz LWFHTVXRBVCIRP-PLYUQDFWSA-N 2 0 355.570 3.594 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000415045875 941569411 /nfs/dbraw/zinc/56/94/11/941569411.db2.gz BXNVQDKQKORFCR-QGZVFWFLSA-N 2 0 373.298 3.667 20 0 FHADRP O=C1[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078822 941590961 /nfs/dbraw/zinc/59/09/61/941590961.db2.gz HBJROFOLQQNBCU-UHOSZYNNSA-N 2 0 369.896 3.528 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)ccc1OCc1ccncc1 ZINC000415092012 941601768 /nfs/dbraw/zinc/60/17/68/941601768.db2.gz RUJCBWFAYPPYDX-FUHIMQAGSA-N 2 0 369.509 3.850 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000415104016 941606250 /nfs/dbraw/zinc/60/62/50/941606250.db2.gz GHFSHXJATAXNBL-RBUKOAKNSA-N 2 0 354.897 3.630 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000415105894 941608128 /nfs/dbraw/zinc/60/81/28/941608128.db2.gz IPFQXBNVSNNZCU-ZWKOTPCHSA-N 2 0 356.432 3.732 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415106712 941609382 /nfs/dbraw/zinc/60/93/82/941609382.db2.gz JUCKNXQOJBWQMC-AZUAARDMSA-N 2 0 359.901 3.607 20 0 FHADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000415108855 941610198 /nfs/dbraw/zinc/61/01/98/941610198.db2.gz PHNBUYWMMDOGHW-HOTGVXAUSA-N 2 0 369.475 3.648 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC000415123175 941618663 /nfs/dbraw/zinc/61/86/63/941618663.db2.gz AFEAOKQOORXSKD-VQTJNVASSA-N 2 0 351.538 3.762 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc12 ZINC000415122863 941619108 /nfs/dbraw/zinc/61/91/08/941619108.db2.gz IUSJPEBEFFYKGY-IFMALSPDSA-N 2 0 354.494 3.567 20 0 FHADRP CCCCCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415124778 941620575 /nfs/dbraw/zinc/62/05/75/941620575.db2.gz NHHHVMSNCZVIJT-UNMCSNQZSA-N 2 0 360.542 3.974 20 0 FHADRP Cc1ccc(CC[C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415134255 941620941 /nfs/dbraw/zinc/62/09/41/941620941.db2.gz OGWTWFAODYSABD-OAQYLSRUSA-N 2 0 365.565 3.899 20 0 FHADRP C[C@H](CCc1ccsc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415135195 941621471 /nfs/dbraw/zinc/62/14/71/941621471.db2.gz PWMFIFFTYVXCDF-GOSISDBHSA-N 2 0 357.567 3.652 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415129338 941622985 /nfs/dbraw/zinc/62/29/85/941622985.db2.gz PGRDCMLWVXJSHN-WMZOPIPTSA-N 2 0 370.541 3.730 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131529 941624091 /nfs/dbraw/zinc/62/40/91/941624091.db2.gz SOGHNSGPUSURCF-YLJYHZDGSA-N 2 0 354.494 3.691 20 0 FHADRP Fc1cc(-c2ccccc2)ccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136970 941626109 /nfs/dbraw/zinc/62/61/09/941626109.db2.gz IJDIWHLUYSPOFO-IRLDBZIGSA-N 2 0 366.480 3.693 20 0 FHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137833 941626356 /nfs/dbraw/zinc/62/63/56/941626356.db2.gz UGGBXIYKAQWYBS-IBGZPJMESA-N 2 0 369.528 3.730 20 0 FHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000178312960 941628762 /nfs/dbraw/zinc/62/87/62/941628762.db2.gz WSGBEDBBDXWCKI-RXVVDRJESA-N 2 0 355.551 3.815 20 0 FHADRP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231108 941788511 /nfs/dbraw/zinc/78/85/11/941788511.db2.gz BTSXYFXVKUEYKU-FPOVZHCZSA-N 2 0 373.585 3.519 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000513223810 941795644 /nfs/dbraw/zinc/79/56/44/941795644.db2.gz YIBYXGBTQSXDEF-IBGZPJMESA-N 2 0 359.558 3.770 20 0 FHADRP C[C@@H](CCCC[NH3+])NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415398506 941800118 /nfs/dbraw/zinc/80/01/18/941800118.db2.gz WZCBYWVRZMIFOX-SFHVURJKSA-N 2 0 360.546 3.600 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695275330 941812726 /nfs/dbraw/zinc/81/27/26/941812726.db2.gz STEFAIJSFLOKAI-GOSISDBHSA-N 2 0 367.578 3.878 20 0 FHADRP CN(Cc1ccccc1)[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644625901 941865736 /nfs/dbraw/zinc/86/57/36/941865736.db2.gz WKKUINRQKMIUEW-OAQYLSRUSA-N 2 0 369.484 3.655 20 0 FHADRP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709265 941917454 /nfs/dbraw/zinc/91/74/54/941917454.db2.gz UVQZQXGUMUBYTQ-UHFFFAOYSA-N 2 0 365.456 3.507 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000513510738 941982609 /nfs/dbraw/zinc/98/26/09/941982609.db2.gz FWCSFWCQHZEDIV-FUHWJXTLSA-N 2 0 358.555 3.599 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000509932082 941990748 /nfs/dbraw/zinc/99/07/48/941990748.db2.gz SAPHSWVRNOLBNM-KDURUIRLSA-N 2 0 354.542 3.935 20 0 FHADRP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1O ZINC000513546738 942006291 /nfs/dbraw/zinc/00/62/91/942006291.db2.gz ZMLJNISPGPYCFK-PXNSSMCTSA-N 2 0 354.494 3.791 20 0 FHADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415782967 942049783 /nfs/dbraw/zinc/04/97/83/942049783.db2.gz FLWREAULMSQWKA-RTWAWAEBSA-N 2 0 366.509 3.837 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)ccc21 ZINC000415790936 942050227 /nfs/dbraw/zinc/05/02/27/942050227.db2.gz QAYHHODVIUZGNO-DUXKGJEZSA-N 2 0 370.541 3.622 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513656721 942059122 /nfs/dbraw/zinc/05/91/22/942059122.db2.gz WVLBEKCVTXJXKA-COXVUDFISA-N 2 0 355.295 3.593 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000501849661 942076887 /nfs/dbraw/zinc/07/68/87/942076887.db2.gz KDTNCCYBCLFBGF-UHFFFAOYSA-N 2 0 361.961 3.845 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000415908483 942127836 /nfs/dbraw/zinc/12/78/36/942127836.db2.gz PPWGMBPYWPOSID-NRFANRHFSA-N 2 0 366.509 3.582 20 0 FHADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513691105 942140897 /nfs/dbraw/zinc/14/08/97/942140897.db2.gz QZBDVTVZGFHHPJ-OTWHNJEPSA-N 2 0 353.510 3.850 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000415927681 942164771 /nfs/dbraw/zinc/16/47/71/942164771.db2.gz DMMPQGUOPJNWSR-YLJYHZDGSA-N 2 0 366.509 3.581 20 0 FHADRP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000502008365 942166431 /nfs/dbraw/zinc/16/64/31/942166431.db2.gz OEPXBWJFQBCWNL-PKTZIBPZSA-N 2 0 373.585 3.691 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000415937841 942169919 /nfs/dbraw/zinc/16/99/19/942169919.db2.gz XHWPRQZGQUSDPX-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CO[C@]1(C)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000280392881 942174414 /nfs/dbraw/zinc/17/44/14/942174414.db2.gz XCRJFLUNOHMBPY-JOCHJYFZSA-N 2 0 359.558 3.608 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415954031 942195683 /nfs/dbraw/zinc/19/56/83/942195683.db2.gz LVTBRJPUKJQTNX-FXAWDEMLSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415956222 942197963 /nfs/dbraw/zinc/19/79/63/942197963.db2.gz NTNFTJZBNFUKGH-HXUWFJFHSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000415964544 942205048 /nfs/dbraw/zinc/20/50/48/942205048.db2.gz ZXEBXBYURVWBBW-UHFFFAOYSA-N 2 0 358.530 3.524 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000415967681 942213261 /nfs/dbraw/zinc/21/32/61/942213261.db2.gz BTHMIKKWZHUVKB-HKUYNNGSSA-N 2 0 358.530 3.524 20 0 FHADRP CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(C[NH3+])cc3)c2)CC1 ZINC000415969273 942213429 /nfs/dbraw/zinc/21/34/29/942213429.db2.gz DMQZBCRLRMWDBO-UHFFFAOYSA-N 2 0 366.509 3.699 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000415968485 942214666 /nfs/dbraw/zinc/21/46/66/942214666.db2.gz DFELFBHAFWAZHU-HXUWFJFHSA-N 2 0 358.530 3.572 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000415969616 942215219 /nfs/dbraw/zinc/21/52/19/942215219.db2.gz GRLONHQYOYTEBT-SFHVURJKSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000415976499 942219482 /nfs/dbraw/zinc/21/94/82/942219482.db2.gz AJEGGTIQRVSSLI-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977446 942220202 /nfs/dbraw/zinc/22/02/02/942220202.db2.gz YHOGFQDYLGCPHB-SFHVURJKSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415982311 942225992 /nfs/dbraw/zinc/22/59/92/942225992.db2.gz KUGIOCGRCYFUFT-QZTJIDSGSA-N 2 0 366.509 3.533 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000415986633 942228823 /nfs/dbraw/zinc/22/88/23/942228823.db2.gz VCXYHUQCGHPFLW-IBGZPJMESA-N 2 0 372.538 3.552 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000500988216 942248618 /nfs/dbraw/zinc/24/86/18/942248618.db2.gz HOPVZDAPBKKEPW-UHFFFAOYSA-N 2 0 369.475 3.700 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000416010731 942252170 /nfs/dbraw/zinc/25/21/70/942252170.db2.gz OOEKDNOKBROPJR-UHFFFAOYSA-N 2 0 358.530 3.656 20 0 FHADRP C[N@H+](CCCOCCc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501062303 942284710 /nfs/dbraw/zinc/28/47/10/942284710.db2.gz JBHPBHSYUWPSGT-UHFFFAOYSA-N 2 0 367.537 3.879 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977083 942287788 /nfs/dbraw/zinc/28/77/88/942287788.db2.gz HQXGIUAIFITDPS-OAQYLSRUSA-N 2 0 361.961 3.819 20 0 FHADRP CCn1c(C)cc(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501071137 942294712 /nfs/dbraw/zinc/29/47/12/942294712.db2.gz VJCDGQOAZZKBNR-UHFFFAOYSA-N 2 0 368.525 3.551 20 0 FHADRP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501074122 942295968 /nfs/dbraw/zinc/29/59/68/942295968.db2.gz BTGPCZUTZJCCGG-GOSISDBHSA-N 2 0 366.509 3.565 20 0 FHADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000501110292 942302760 /nfs/dbraw/zinc/30/27/60/942302760.db2.gz JYEDXFZDKITMPX-PMACEKPBSA-N 2 0 351.538 3.830 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000502285297 942332940 /nfs/dbraw/zinc/33/29/40/942332940.db2.gz IQOCUBSUVMTTPS-KRWDZBQOSA-N 2 0 360.542 3.940 20 0 FHADRP Cc1ncc(CN2CC[C@@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)[C@@H](C)C2)s1 ZINC000378184169 942364645 /nfs/dbraw/zinc/36/46/45/942364645.db2.gz MEVYBSMFVYSSOT-HNAYVOBHSA-N 2 0 364.603 3.514 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134956 942379686 /nfs/dbraw/zinc/37/96/86/942379686.db2.gz QBFWOCRZPKSZPW-STZQEDGTSA-N 2 0 365.521 3.631 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC000378207877 942388706 /nfs/dbraw/zinc/38/87/06/942388706.db2.gz SQHNQBQMANGBPV-GOSISDBHSA-N 2 0 357.542 3.617 20 0 FHADRP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CC(F)(F)F ZINC000419810399 942403735 /nfs/dbraw/zinc/40/37/35/942403735.db2.gz FBKVBJBNZXBJRF-CYBMUJFWSA-N 2 0 363.855 3.770 20 0 FHADRP C[NH+](C)CCCOc1cccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000416154854 942414286 /nfs/dbraw/zinc/41/42/86/942414286.db2.gz BSKGOZHJSJJFDA-NRFANRHFSA-N 2 0 369.509 3.649 20 0 FHADRP C[NH+](C)CCCOc1cccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000416154857 942414466 /nfs/dbraw/zinc/41/44/66/942414466.db2.gz BSKGOZHJSJJFDA-OAQYLSRUSA-N 2 0 369.509 3.649 20 0 FHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)oc1C ZINC000502428262 942441243 /nfs/dbraw/zinc/44/12/43/942441243.db2.gz DDYVGWACUZCCQH-QGZVFWFLSA-N 2 0 369.509 3.573 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000414828289 942468054 /nfs/dbraw/zinc/46/80/54/942468054.db2.gz ZHDIQXLWTFBBCX-MNOVXSKESA-N 2 0 365.237 3.946 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501422692 942469399 /nfs/dbraw/zinc/46/93/99/942469399.db2.gz NVGSNUFTXMANOG-NOCRFKNCSA-N 2 0 369.475 3.724 20 0 FHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829963 942480255 /nfs/dbraw/zinc/48/02/55/942480255.db2.gz BSCXFFRAUKXJEU-GHMZBOCLSA-N 2 0 365.827 3.521 20 0 FHADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000647938306 942486891 /nfs/dbraw/zinc/48/68/91/942486891.db2.gz JIQAMJOFJZEDHC-MJGOQNOKSA-N 2 0 367.493 3.867 20 0 FHADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000501461271 942495639 /nfs/dbraw/zinc/49/56/39/942495639.db2.gz JYHXIIDQBSXQJW-UHFFFAOYSA-N 2 0 368.521 3.504 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414832764 942506819 /nfs/dbraw/zinc/50/68/19/942506819.db2.gz OTRJVRUSJSBUAZ-LJQANCHMSA-N 2 0 360.505 3.937 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000421363606 942515252 /nfs/dbraw/zinc/51/52/52/942515252.db2.gz QGIFDCPHJHNBCU-NVXWUHKLSA-N 2 0 370.497 3.518 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421368520 942519182 /nfs/dbraw/zinc/51/91/82/942519182.db2.gz GJHITHCPZVLDKA-FAEJEUNOSA-N 2 0 365.949 3.539 20 0 FHADRP C[NH+](C)Cc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425050795 942522891 /nfs/dbraw/zinc/52/28/91/942522891.db2.gz ZEIHMXSCNAXHQO-UHFFFAOYSA-N 2 0 372.538 3.614 20 0 FHADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000468655426 942527824 /nfs/dbraw/zinc/52/78/24/942527824.db2.gz KVIFMNDEZOFVBH-OALUTQOASA-N 2 0 357.542 3.552 20 0 FHADRP Cn1c(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)nc2cc(Cl)ccc21 ZINC000378290680 942539301 /nfs/dbraw/zinc/53/93/01/942539301.db2.gz GSZFSYYCSWALCI-UHFFFAOYSA-N 2 0 369.900 3.723 20 0 FHADRP c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000414839463 942550615 /nfs/dbraw/zinc/55/06/15/942550615.db2.gz XNWQVUSWVGEUQO-WCRBZPEASA-N 2 0 358.489 3.912 20 0 FHADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414840234 942554947 /nfs/dbraw/zinc/55/49/47/942554947.db2.gz MVEBNSSKIAZZKW-SFHVURJKSA-N 2 0 354.494 3.754 20 0 FHADRP Cc1occc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000414448905 942607975 /nfs/dbraw/zinc/60/79/75/942607975.db2.gz ABJONXTUOAADRR-OAQYLSRUSA-N 2 0 354.494 3.606 20 0 FHADRP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420300080 942611214 /nfs/dbraw/zinc/61/12/14/942611214.db2.gz HBBFRHQSQKXZOW-HXOBKFHXSA-N 2 0 366.505 3.651 20 0 FHADRP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420319494 942620399 /nfs/dbraw/zinc/62/03/99/942620399.db2.gz AEYGZMPYGPSBOD-KGLIPLIRSA-N 2 0 363.477 3.910 20 0 FHADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1-c1ccccc1 ZINC000420340473 942624019 /nfs/dbraw/zinc/62/40/19/942624019.db2.gz PLFOSQCDYQSXTB-BGYRXZFFSA-N 2 0 363.505 3.614 20 0 FHADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341184 942624897 /nfs/dbraw/zinc/62/48/97/942624897.db2.gz NYDBYYGKHHQIEL-OXQOHEQNSA-N 2 0 351.494 3.631 20 0 FHADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000420343422 942625662 /nfs/dbraw/zinc/62/56/62/942625662.db2.gz YXDZPJHAPSFWAY-GOSISDBHSA-N 2 0 357.523 3.783 20 0 FHADRP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346355 942626528 /nfs/dbraw/zinc/62/65/28/942626528.db2.gz WNKKTUPHTSGUMR-IYBDPMFKSA-N 2 0 356.432 3.796 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334400 942632454 /nfs/dbraw/zinc/63/24/54/942632454.db2.gz GIELLBQYIAXKFH-VXKWHMMOSA-N 2 0 363.505 3.830 20 0 FHADRP CC(C)(C)c1cnc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414527121 942639780 /nfs/dbraw/zinc/63/97/80/942639780.db2.gz QOUAGFFDRCVWSL-UHFFFAOYSA-N 2 0 373.566 3.557 20 0 FHADRP COc1cccc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)c1OCc1ccccc1F ZINC000420363713 942640168 /nfs/dbraw/zinc/64/01/68/942640168.db2.gz CBRNLEXUUIMBEP-KRWDZBQOSA-N 2 0 372.484 3.845 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000420373361 942644134 /nfs/dbraw/zinc/64/41/34/942644134.db2.gz GIVUVJMRWNYIEX-SJLPKXTDSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000420372319 942644542 /nfs/dbraw/zinc/64/45/42/942644542.db2.gz FCGSGJCVJKWLRL-JTHBVZDNSA-N 2 0 368.521 3.827 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000420376559 942645589 /nfs/dbraw/zinc/64/55/89/942645589.db2.gz JYVWRULERKZGCR-QUCCMNQESA-N 2 0 366.933 3.846 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383423 942648268 /nfs/dbraw/zinc/64/82/68/942648268.db2.gz ZRKYQUYPEIVGPA-DOTOQJQBSA-N 2 0 356.432 3.792 20 0 FHADRP CC(C)(C)c1cccc(OCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420384896 942648720 /nfs/dbraw/zinc/64/87/20/942648720.db2.gz HENNXZQJNOZZGV-CTNGQTDRSA-N 2 0 360.542 3.581 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCOc3cccc4ccccc43)CC2)C1 ZINC000420392376 942652711 /nfs/dbraw/zinc/65/27/11/942652711.db2.gz PLGAMTINZPNYBM-REWPJTCUSA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000420396320 942654239 /nfs/dbraw/zinc/65/42/39/942654239.db2.gz VQHGEKIPXGLCHD-GGAORHGYSA-N 2 0 352.522 3.991 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000420397275 942655203 /nfs/dbraw/zinc/65/52/03/942655203.db2.gz XAKGVRVPUYYEDR-FXAWDEMLSA-N 2 0 366.933 3.846 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420396921 942655271 /nfs/dbraw/zinc/65/52/71/942655271.db2.gz WSWUJNUQBQDVAY-XWIAVFTESA-N 2 0 356.432 3.985 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000414532298 942661948 /nfs/dbraw/zinc/66/19/48/942661948.db2.gz UOZCWZLCWUTLAC-OAHLLOKOSA-N 2 0 357.464 3.895 20 0 FHADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000502708590 942674135 /nfs/dbraw/zinc/67/41/35/942674135.db2.gz QREIZWAZJQTQFD-JTHBVZDNSA-N 2 0 373.585 3.692 20 0 FHADRP CC(C)[C@H](CNC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501792151 942674243 /nfs/dbraw/zinc/67/42/43/942674243.db2.gz RVNABIVTDCBTKY-QFIPXVFZSA-N 2 0 373.585 3.596 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000514082727 942733996 /nfs/dbraw/zinc/73/39/96/942733996.db2.gz IDXDXDLNQDXRFM-SLFFLAALSA-N 2 0 355.457 3.975 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)c1 ZINC000514105769 942749114 /nfs/dbraw/zinc/74/91/14/942749114.db2.gz UBRLRXWUGJAVJY-GOSISDBHSA-N 2 0 363.509 3.960 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCSC(C)C)CC1 ZINC000514138961 942776531 /nfs/dbraw/zinc/77/65/31/942776531.db2.gz VLEZUEIEKFTAKL-INIZCTEOSA-N 2 0 353.551 3.760 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000514211159 942820544 /nfs/dbraw/zinc/82/05/44/942820544.db2.gz OHJJVEMCHZZVKQ-FFZOFVMBSA-N 2 0 368.949 3.754 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)ccc1OC ZINC000183095033 942827098 /nfs/dbraw/zinc/82/70/98/942827098.db2.gz MTAWZAQTHOGQKG-ZWOKBUDYSA-N 2 0 359.558 3.813 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1Cl ZINC000421818394 942845571 /nfs/dbraw/zinc/84/55/71/942845571.db2.gz AQLKLLJVSRAAJE-LAUBAEHRSA-N 2 0 372.944 3.764 20 0 FHADRP C/C(=C/c1ccccc1)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414556255 942846786 /nfs/dbraw/zinc/84/67/86/942846786.db2.gz YBQMQBCVMPDOCQ-SILNSSARSA-N 2 0 350.506 3.707 20 0 FHADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502921647 942857442 /nfs/dbraw/zinc/85/74/42/942857442.db2.gz WXFQIVVGQOCHPC-QFIPXVFZSA-N 2 0 369.553 3.763 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000421849016 942859226 /nfs/dbraw/zinc/85/92/26/942859226.db2.gz BFFRWIQEQQTDGR-CQSZACIVSA-N 2 0 365.880 3.535 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cccc(OC)c3F)CC2)cc1 ZINC000192675391 942873081 /nfs/dbraw/zinc/87/30/81/942873081.db2.gz NBPYKEJGGNDOBV-UHFFFAOYSA-N 2 0 372.484 3.845 20 0 FHADRP C[C@@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414559178 942882670 /nfs/dbraw/zinc/88/26/70/942882670.db2.gz PHGVHSRUHBDCQT-NUDGRNCOSA-N 2 0 368.565 3.674 20 0 FHADRP C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000378556422 942887072 /nfs/dbraw/zinc/88/70/72/942887072.db2.gz ZZJQPJPZMHTNNF-OALUTQOASA-N 2 0 369.475 3.611 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378569170 942902145 /nfs/dbraw/zinc/90/21/45/942902145.db2.gz PQBFSIWDCPLLSK-YSIASYRMSA-N 2 0 363.505 3.613 20 0 FHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510003895 942902283 /nfs/dbraw/zinc/90/22/83/942902283.db2.gz WXHSEOJWHQEJPZ-FQEVSTJZSA-N 2 0 367.537 3.515 20 0 FHADRP C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363886963 942962902 /nfs/dbraw/zinc/96/29/02/942962902.db2.gz JZYWONYCMLUOPC-LJQANCHMSA-N 2 0 372.538 3.738 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000503122647 942989405 /nfs/dbraw/zinc/98/94/05/942989405.db2.gz ZXBVIWDXDITVEC-MOPGFXCFSA-N 2 0 374.573 3.680 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271709300 943038299 /nfs/dbraw/zinc/03/82/99/943038299.db2.gz MNMIAOSCLIHLNY-GOPGUHFVSA-N 2 0 372.340 3.604 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414859213 943061203 /nfs/dbraw/zinc/06/12/03/943061203.db2.gz SZHZQKGCRSNFRU-CMPLNLGQSA-N 2 0 363.246 3.528 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000414651763 943102640 /nfs/dbraw/zinc/10/26/40/943102640.db2.gz GDXVOIMVAWRJOR-LJQANCHMSA-N 2 0 360.505 3.937 20 0 FHADRP CC1(c2nc(-c3ccc(C[NH3+])cc3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000414655278 943110246 /nfs/dbraw/zinc/11/02/46/943110246.db2.gz ZOAHXDUVOSCXDI-UHFFFAOYSA-N 2 0 362.477 3.749 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc2)c1 ZINC000414654726 943115575 /nfs/dbraw/zinc/11/55/75/943115575.db2.gz GMAOSIVRISXIRA-VFNWGFHPSA-N 2 0 356.466 3.665 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661876 943132810 /nfs/dbraw/zinc/13/28/10/943132810.db2.gz QOUCWSZIEINVNB-DOTOQJQBSA-N 2 0 360.523 3.895 20 0 FHADRP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272392765 943149280 /nfs/dbraw/zinc/14/92/80/943149280.db2.gz YFIASHPIRTXXAX-IEBWSBKVSA-N 2 0 370.566 3.612 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665891 943165280 /nfs/dbraw/zinc/16/52/80/943165280.db2.gz VSJUZYOBYBZQDI-FUHWJXTLSA-N 2 0 354.494 3.930 20 0 FHADRP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272648844 943192551 /nfs/dbraw/zinc/19/25/51/943192551.db2.gz JTUFACAGJOHEBD-FPOVZHCZSA-N 2 0 371.569 3.524 20 0 FHADRP CCCCC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673004 943202269 /nfs/dbraw/zinc/20/22/69/943202269.db2.gz BJWJEOKOOWDZQG-SFHVURJKSA-N 2 0 365.949 3.530 20 0 FHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000422638934 943207023 /nfs/dbraw/zinc/20/70/23/943207023.db2.gz RUWDMSMEGKDSJZ-UWVAXJGDSA-N 2 0 351.494 3.744 20 0 FHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000514687646 943215829 /nfs/dbraw/zinc/21/58/29/943215829.db2.gz UDQSCVDDHPUBHV-QWHCGFSZSA-N 2 0 368.294 3.950 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272881263 943237970 /nfs/dbraw/zinc/23/79/70/943237970.db2.gz QPHPRADNJZAOAI-IBGZPJMESA-N 2 0 361.549 3.637 20 0 FHADRP COc1ccc([C@@H](NCCCCC[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422712970 943244832 /nfs/dbraw/zinc/24/48/32/943244832.db2.gz JEQPJDOLSCIUTP-FGZHOGPDSA-N 2 0 359.558 3.734 20 0 FHADRP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422712259 943244941 /nfs/dbraw/zinc/24/49/41/943244941.db2.gz IDARVNJIHIKUID-XQXKNUKBSA-N 2 0 354.469 3.991 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422716013 943254900 /nfs/dbraw/zinc/25/49/00/943254900.db2.gz SXOSMJPIYZXDBR-RXVVDRJESA-N 2 0 360.542 3.783 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422718728 943256476 /nfs/dbraw/zinc/25/64/76/943256476.db2.gz XLBLTLUYBKDWNQ-PXNSSMCTSA-N 2 0 355.482 3.880 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720521 943257427 /nfs/dbraw/zinc/25/74/27/943257427.db2.gz SPGJQFPUMJLTON-QFBILLFUSA-N 2 0 355.482 3.932 20 0 FHADRP c1ccc(C(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422758670 943263045 /nfs/dbraw/zinc/26/30/45/943263045.db2.gz OESBWLIDBOPVGU-DNVJHFABSA-N 2 0 350.506 3.565 20 0 FHADRP c1ccc(C[NH+]2CCC(OC3CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC3)CC2)cc1 ZINC001167948023 943263597 /nfs/dbraw/zinc/26/35/97/943263597.db2.gz JTPCCWMZLCHDIE-AERCQKQUSA-N 2 0 354.538 3.931 20 0 FHADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000503569313 943266671 /nfs/dbraw/zinc/26/66/71/943266671.db2.gz QBHVJUDVMAZBMH-PSHVLCQKSA-N 2 0 360.542 3.591 20 0 FHADRP c1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422741381 943267200 /nfs/dbraw/zinc/26/72/00/943267200.db2.gz DJTMHMFTXFTERI-AVCGJXAMSA-N 2 0 363.505 3.501 20 0 FHADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(Br)c1 ZINC000422750832 943271312 /nfs/dbraw/zinc/27/13/12/943271312.db2.gz DPRUQXXAOYDXFY-BXEVVDMOSA-N 2 0 351.332 3.890 20 0 FHADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000503577237 943272030 /nfs/dbraw/zinc/27/20/30/943272030.db2.gz KWVBIFXNBYCZHE-IBGZPJMESA-N 2 0 353.510 3.607 20 0 FHADRP CC[C@H]1C[C@@H](C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000503576982 943272925 /nfs/dbraw/zinc/27/29/25/943272925.db2.gz SYOPSABAZKMSPS-GMAHTHKFSA-N 2 0 373.585 3.692 20 0 FHADRP CC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753779 943272934 /nfs/dbraw/zinc/27/29/34/943272934.db2.gz DEVAYKQWFLASBL-ONTIZHBOSA-N 2 0 352.478 3.992 20 0 FHADRP c1cn(CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000422753796 943273142 /nfs/dbraw/zinc/27/31/42/943273142.db2.gz GKLXHNXEQCUGHK-NFBKMPQASA-N 2 0 361.489 3.877 20 0 FHADRP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422755474 943274143 /nfs/dbraw/zinc/27/41/43/943274143.db2.gz HYQFOJZAWSAELO-ODAXIHTASA-N 2 0 371.569 3.733 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754793 943274162 /nfs/dbraw/zinc/27/41/62/943274162.db2.gz GERFYSQVVPJWHB-HFTRVMKXSA-N 2 0 357.464 3.805 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422766790 943274489 /nfs/dbraw/zinc/27/44/89/943274489.db2.gz RIZZUPRTZBEECG-DYESRHJHSA-N 2 0 372.940 3.936 20 0 FHADRP c1ccc2cc(CC[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2c1 ZINC000511596304 943279940 /nfs/dbraw/zinc/27/99/40/943279940.db2.gz UPECNAYSGKCXCZ-UHFFFAOYSA-N 2 0 352.522 3.817 20 0 FHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422783328 943281784 /nfs/dbraw/zinc/28/17/84/943281784.db2.gz HGNLUVANULOJGG-LZNRXBQRSA-N 2 0 352.478 3.608 20 0 FHADRP CCOc1cccc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783596 943281816 /nfs/dbraw/zinc/28/18/16/943281816.db2.gz OMBVYJRTJCLBRB-BUKVSMQUSA-N 2 0 352.478 3.992 20 0 FHADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766154 943285433 /nfs/dbraw/zinc/28/54/33/943285433.db2.gz LLZTXADZYIPKIH-VQPPSCEASA-N 2 0 368.477 3.610 20 0 FHADRP Cc1ccc(SCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422766180 943285845 /nfs/dbraw/zinc/28/58/45/943285845.db2.gz LNVRSXQRVVFVRC-FPOVZHCZSA-N 2 0 354.519 3.933 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797155 943286395 /nfs/dbraw/zinc/28/63/95/943286395.db2.gz LEPZGNRPKQKWLY-FDFHNCONSA-N 2 0 353.510 3.813 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000422800258 943288150 /nfs/dbraw/zinc/28/81/50/943288150.db2.gz AYQVUKZVBUOUEX-KBPBESRZSA-N 2 0 372.431 3.677 20 0 FHADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCCC2 ZINC000422809086 943290738 /nfs/dbraw/zinc/29/07/38/943290738.db2.gz RGUBBSOOQFXLJS-PMXSJFBMSA-N 2 0 356.510 3.570 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)C[C@@H](C)O1 ZINC000422813973 943292229 /nfs/dbraw/zinc/29/22/29/943292229.db2.gz SRUXQKINGFJVAB-ROEJJBDBSA-N 3 0 365.521 3.530 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422791546 943294037 /nfs/dbraw/zinc/29/40/37/943294037.db2.gz QHSMYNOPSPMNOG-HNNXBMFYSA-N 2 0 363.509 3.561 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822906 943295872 /nfs/dbraw/zinc/29/58/72/943295872.db2.gz BURJVAVMFVILML-IRLDBZIGSA-N 2 0 352.478 3.819 20 0 FHADRP Fc1ccc(OCCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422831851 943298763 /nfs/dbraw/zinc/29/87/63/943298763.db2.gz KAGCFTKIEPRKFR-IRLDBZIGSA-N 2 0 370.468 3.830 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832695 943299571 /nfs/dbraw/zinc/29/95/71/943299571.db2.gz VIXSASJHYQGAGW-CZTZKLFOSA-N 2 0 359.558 3.588 20 0 FHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000422832759 943299634 /nfs/dbraw/zinc/29/96/34/943299634.db2.gz VOFSKAXMJFYJOB-PWRODBHTSA-N 3 0 361.599 3.861 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422818663 943303129 /nfs/dbraw/zinc/30/31/29/943303129.db2.gz GVBMVHAHAPJXSZ-WMLDXEAASA-N 2 0 352.906 3.702 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)s2)cc1 ZINC000422818731 943303250 /nfs/dbraw/zinc/30/32/50/943303250.db2.gz HAZXREQCJOJVDT-XUVXKRRUSA-N 2 0 372.534 3.670 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000422864106 943309675 /nfs/dbraw/zinc/30/96/75/943309675.db2.gz TXQBGMASHKUODZ-ZYSHUDEJSA-N 2 0 350.934 3.884 20 0 FHADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422864528 943310023 /nfs/dbraw/zinc/31/00/23/943310023.db2.gz NIAHALZUXSASDK-QHAWAJNXSA-N 2 0 360.542 3.811 20 0 FHADRP CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422864587 943310057 /nfs/dbraw/zinc/31/00/57/943310057.db2.gz VNZYUGQTRXNIPW-WIYYLYMNSA-N 2 0 356.441 3.570 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422867968 943310694 /nfs/dbraw/zinc/31/06/94/943310694.db2.gz UBFACOUYDBRAJM-WSWWRLHASA-N 2 0 372.553 3.811 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)n1 ZINC000422868302 943311030 /nfs/dbraw/zinc/31/10/30/943311030.db2.gz UVEPZBNEQQJBDS-WMZHIEFXSA-N 2 0 362.521 3.580 20 0 FHADRP Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)co2)cc1 ZINC000422875690 943313601 /nfs/dbraw/zinc/31/36/01/943313601.db2.gz CUSGLITVJBELCB-HNNXBMFYSA-N 2 0 350.466 3.705 20 0 FHADRP c1cc2c(s1)CCN([C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)c1ccccc1)C2 ZINC000422880007 943315013 /nfs/dbraw/zinc/31/50/13/943315013.db2.gz LIABITBXZUKHQR-JKWVGCSGSA-N 2 0 367.562 3.720 20 0 FHADRP CC[C@H](C)[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422883124 943316558 /nfs/dbraw/zinc/31/65/58/943316558.db2.gz BPZRDYCTVWZDTE-CNNODRBYSA-N 2 0 373.585 3.599 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883523 943317145 /nfs/dbraw/zinc/31/71/45/943317145.db2.gz QOXMLXDNDWHCGU-UIFIKXQLSA-N 2 0 369.578 3.825 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422886106 943317777 /nfs/dbraw/zinc/31/77/77/943317777.db2.gz WCMMUJNDGDRNHQ-JKSUJKDBSA-N 2 0 357.473 3.785 20 0 FHADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422890368 943319739 /nfs/dbraw/zinc/31/97/39/943319739.db2.gz RTFCCJMLSMBUTN-QHAWAJNXSA-N 2 0 352.526 3.890 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)CC[NH2+]CC1 ZINC000422869854 943320638 /nfs/dbraw/zinc/32/06/38/943320638.db2.gz ASMMNURWMMVWBQ-RDTXWAMCSA-N 2 0 368.468 3.573 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873486 943322453 /nfs/dbraw/zinc/32/24/53/943322453.db2.gz AOUGGPHQKLMXTE-MHXAIHSWSA-N 3 0 371.569 3.590 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873647 943322475 /nfs/dbraw/zinc/32/24/75/943322475.db2.gz AWLLWZATLOGUCF-KBPBESRZSA-N 2 0 367.497 3.544 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422901301 943324384 /nfs/dbraw/zinc/32/43/84/943324384.db2.gz RWMATJKTZYUFGI-CVDCTZTESA-N 2 0 351.538 3.508 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422901322 943324572 /nfs/dbraw/zinc/32/45/72/943324572.db2.gz RXQUKEYBTNOSOX-ZTFGCOKTSA-N 2 0 366.347 3.525 20 0 FHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422902078 943325199 /nfs/dbraw/zinc/32/51/99/943325199.db2.gz CWCQMNHDOAFLDU-RXVVDRJESA-N 2 0 357.542 3.500 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905703 943326528 /nfs/dbraw/zinc/32/65/28/943326528.db2.gz ITGVMIDSXJRJHH-CTSMQSTOSA-N 2 0 363.549 3.730 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906958 943326678 /nfs/dbraw/zinc/32/66/78/943326678.db2.gz ANTFAZQWVMYKBW-RHSMWYFYSA-N 2 0 358.436 3.522 20 0 FHADRP CC(C)c1nc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422904782 943326738 /nfs/dbraw/zinc/32/67/38/943326738.db2.gz QPSOZNKMEOYTQO-XLIONFOSSA-N 2 0 357.523 3.655 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422907787 943327051 /nfs/dbraw/zinc/32/70/51/943327051.db2.gz XNWBLQZBPKJGNZ-FDFHNCONSA-N 2 0 372.553 3.644 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906627 943327195 /nfs/dbraw/zinc/32/71/95/943327195.db2.gz VPPFTAIITCXJRF-VXGBXAGGSA-N 2 0 354.420 3.723 20 0 FHADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915413 943329670 /nfs/dbraw/zinc/32/96/70/943329670.db2.gz YCPDWDQIYGWDLV-BZUAXINKSA-N 2 0 362.468 3.874 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(Cl)c1 ZINC000422926064 943334169 /nfs/dbraw/zinc/33/41/69/943334169.db2.gz WCOXVFXUXGKWFM-MFMILTCTSA-N 2 0 372.896 3.953 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422927595 943334565 /nfs/dbraw/zinc/33/45/65/943334565.db2.gz ZEBDJMXXJYUVQE-YTFSRNRJSA-N 2 0 366.505 3.609 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422927594 943334774 /nfs/dbraw/zinc/33/47/74/943334774.db2.gz ZEBDJMXXJYUVQE-XPWALMASSA-N 2 0 366.505 3.609 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422933846 943336413 /nfs/dbraw/zinc/33/64/13/943336413.db2.gz FABGJNKXFWVRCV-CYFNAFFESA-N 2 0 362.876 3.988 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422933849 943336547 /nfs/dbraw/zinc/33/65/47/943336547.db2.gz FABGJNKXFWVRCV-YHJVDBJQSA-N 2 0 362.876 3.988 20 0 FHADRP Clc1cccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935749 943337652 /nfs/dbraw/zinc/33/76/52/943337652.db2.gz DNGYXISCDZPICL-ICSRJNTNSA-N 2 0 358.869 3.564 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCCC1=CC[NH2+]CC1)C1CCCCC1 ZINC000414705542 943339630 /nfs/dbraw/zinc/33/96/30/943339630.db2.gz FLGPWYXYEPSEBA-UHFFFAOYSA-N 2 0 370.541 3.882 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000422943174 943340003 /nfs/dbraw/zinc/34/00/03/943340003.db2.gz QMAMANBQWPMKHG-OLZOCXBDSA-N 2 0 362.315 3.893 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000414707259 943342673 /nfs/dbraw/zinc/34/26/73/943342673.db2.gz HLRHGXUWFMKGDP-IEBWSBKVSA-N 2 0 370.541 3.524 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000503701858 943344743 /nfs/dbraw/zinc/34/47/43/943344743.db2.gz NJFPMILIVITJDW-RBUKOAKNSA-N 2 0 374.573 3.632 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000422947908 943346074 /nfs/dbraw/zinc/34/60/74/943346074.db2.gz QUDAJEQPRWYHBH-SJORKVTESA-N 2 0 355.320 3.634 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952428 943347358 /nfs/dbraw/zinc/34/73/58/943347358.db2.gz BEYISDIIAPDUOP-CQSZACIVSA-N 2 0 367.522 3.651 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422950456 943347398 /nfs/dbraw/zinc/34/73/98/943347398.db2.gz VYEXZDDFRDDBOE-ZDUSSCGKSA-N 2 0 354.429 3.536 20 0 FHADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccc(Br)cc1 ZINC000422953341 943348346 /nfs/dbraw/zinc/34/83/46/943348346.db2.gz FHRAELSYCRNWKI-YXQSOJMXSA-N 2 0 355.345 3.802 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Sc1ccc(Br)cc1 ZINC000422953663 943348914 /nfs/dbraw/zinc/34/89/14/943348914.db2.gz FZNYQRPCGOEDOZ-WOSRLPQWSA-N 2 0 357.361 3.907 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000422958385 943349268 /nfs/dbraw/zinc/34/92/68/943349268.db2.gz XMXHPABUVWZNEG-ZACQAIPSSA-N 2 0 368.525 3.631 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Br ZINC000422958104 943349644 /nfs/dbraw/zinc/34/96/44/943349644.db2.gz OOQUNBJSKHZFDA-XIKOKIGWSA-N 2 0 360.299 3.949 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422970834 943354526 /nfs/dbraw/zinc/35/45/26/943354526.db2.gz XDEOZRAAEUTOGC-NQIIRXRSSA-N 2 0 360.542 3.783 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374274 943355771 /nfs/dbraw/zinc/35/57/71/943355771.db2.gz PXIZCIMUQPTWSY-JKSUJKDBSA-N 2 0 352.507 3.770 20 0 FHADRP CCOc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OCC(F)(F)F ZINC000435375730 943356770 /nfs/dbraw/zinc/35/67/70/943356770.db2.gz ODSMFYILEDEORO-ZDUSSCGKSA-N 2 0 360.420 3.586 20 0 FHADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000422979840 943357184 /nfs/dbraw/zinc/35/71/84/943357184.db2.gz KMJDRERBEWERDL-YTFSRNRJSA-N 2 0 371.569 3.614 20 0 FHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000511604198 943357875 /nfs/dbraw/zinc/35/78/75/943357875.db2.gz DGYBFJPIMZFSCU-PJADXMEBSA-N 2 0 362.945 3.944 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000422982537 943358001 /nfs/dbraw/zinc/35/80/01/943358001.db2.gz RALVDBBVDFHYER-CZUORRHYSA-N 2 0 363.527 3.532 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCOC2)cc1 ZINC000422986184 943358892 /nfs/dbraw/zinc/35/88/92/943358892.db2.gz GQCPXOAYNXIRKU-SQMBMXPBSA-N 2 0 364.489 3.610 20 0 FHADRP CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H](C[NH3+])C1CC1 ZINC000414711105 943362868 /nfs/dbraw/zinc/36/28/68/943362868.db2.gz LWLRQGNXYFDYTO-HXUWFJFHSA-N 2 0 358.530 3.652 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012483 943363926 /nfs/dbraw/zinc/36/39/26/943363926.db2.gz DEIBXOVLVUNLQB-PNHOKKKMSA-N 2 0 360.498 3.819 20 0 FHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423010498 943364329 /nfs/dbraw/zinc/36/43/29/943364329.db2.gz GPSFWGOQGULKPR-UONOGXRCSA-N 2 0 365.827 3.772 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014459 943364930 /nfs/dbraw/zinc/36/49/30/943364930.db2.gz PDNZXZMEYKCDLS-BXUZGUMPSA-N 2 0 365.827 3.630 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000435377010 943366426 /nfs/dbraw/zinc/36/64/26/943366426.db2.gz XBAITTCJQYLAAT-WBVHZDCISA-N 2 0 350.466 3.610 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000435378263 943366851 /nfs/dbraw/zinc/36/68/51/943366851.db2.gz HTLFLEPOHMKKBW-UHFFFAOYSA-N 2 0 359.539 3.852 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@H]12 ZINC000435379149 943367941 /nfs/dbraw/zinc/36/79/41/943367941.db2.gz LFCJNUUZOLSUQW-MOXGXCLJSA-N 2 0 369.896 3.761 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])c2)CC1 ZINC000423026093 943370361 /nfs/dbraw/zinc/37/03/61/943370361.db2.gz NAZSIGACYREDEP-XXBNENTESA-N 2 0 366.553 3.587 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423027093 943370397 /nfs/dbraw/zinc/37/03/97/943370397.db2.gz CWZDDBNVKIVICJ-AUUYWEPGSA-N 2 0 370.368 3.936 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028595 943370955 /nfs/dbraw/zinc/37/09/55/943370955.db2.gz GWHNBBMXYDNSAV-MSOLQXFVSA-N 2 0 352.413 3.543 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423032685 943372702 /nfs/dbraw/zinc/37/27/02/943372702.db2.gz YJBNGUGCDMIRNV-QMTHXVAHSA-N 2 0 365.237 3.946 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036954 943373195 /nfs/dbraw/zinc/37/31/95/943373195.db2.gz AYIYOAOXBJVPPP-DKICVRJWSA-N 2 0 361.892 3.606 20 0 FHADRP [NH3+]C1CCC([NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000423057518 943376702 /nfs/dbraw/zinc/37/67/02/943376702.db2.gz ZKLKOIJAVNEMHB-UHFFFAOYSA-N 2 0 362.109 3.571 20 0 FHADRP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCO2)cc1 ZINC000423056611 943376720 /nfs/dbraw/zinc/37/67/20/943376720.db2.gz YSKYNDOKMYCALW-SQMBMXPBSA-N 2 0 364.489 3.752 20 0 FHADRP CSCc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060650 943378283 /nfs/dbraw/zinc/37/82/83/943378283.db2.gz OUUDENHBUPMXFG-TZIWHRDSSA-N 2 0 354.519 3.895 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)c2)cc1 ZINC000435394127 943380478 /nfs/dbraw/zinc/38/04/78/943380478.db2.gz MDOWDBQRAFPXFU-MRXNPFEDSA-N 2 0 367.493 3.507 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071771 943381862 /nfs/dbraw/zinc/38/18/62/943381862.db2.gz OULGHYKGPCLNIW-KDOFPFPSSA-N 2 0 362.315 3.845 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071772 943382011 /nfs/dbraw/zinc/38/20/11/943382011.db2.gz OULGHYKGPCLNIW-KSSFIOAISA-N 2 0 362.315 3.845 20 0 FHADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049579 943383946 /nfs/dbraw/zinc/38/39/46/943383946.db2.gz KGUIJDUFKNLBGU-INDMIFKZSA-N 2 0 369.475 3.818 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000423051672 943384220 /nfs/dbraw/zinc/38/42/20/943384220.db2.gz NXWVMJJCVNABEJ-JTQLQIEISA-N 2 0 364.125 3.819 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423097724 943393222 /nfs/dbraw/zinc/39/32/22/943393222.db2.gz BFGPBBKHJDEHLU-QWHCGFSZSA-N 2 0 357.361 3.910 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423127861 943399603 /nfs/dbraw/zinc/39/96/03/943399603.db2.gz PTAADZFSTOYVEQ-TZYHBYERSA-N 2 0 369.553 3.625 20 0 FHADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423106409 943401921 /nfs/dbraw/zinc/40/19/21/943401921.db2.gz ZWFMWDUDJCTACI-KZNAEPCWSA-N 2 0 356.432 3.681 20 0 FHADRP C[C@@H](Cc1ccccc1)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421148 943402010 /nfs/dbraw/zinc/40/20/10/943402010.db2.gz IAAANJPFEUKBJX-PKOBYXMFSA-N 2 0 355.551 3.966 20 0 FHADRP C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112152 943405310 /nfs/dbraw/zinc/40/53/10/943405310.db2.gz XFPMFRMUAUWKMV-RMGXSAEISA-N 2 0 361.961 3.984 20 0 FHADRP CSc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000423144753 943406764 /nfs/dbraw/zinc/40/67/64/943406764.db2.gz HVJXEPYSEOMDBB-VLIAUNLRSA-N 2 0 358.555 3.524 20 0 FHADRP CCn1ccnc1CN(C/C=C\c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428349 943407172 /nfs/dbraw/zinc/40/71/72/943407172.db2.gz RWFPQVNHFBVZIX-QKWWCAPFSA-N 2 0 350.510 3.561 20 0 FHADRP CCn1ccnc1CN(C/C=C\c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428348 943407394 /nfs/dbraw/zinc/40/73/94/943407394.db2.gz RWFPQVNHFBVZIX-NSDNCLLMSA-N 2 0 350.510 3.561 20 0 FHADRP CSc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423146193 943407390 /nfs/dbraw/zinc/40/73/90/943407390.db2.gz OLHLCGOPZZZIBA-HBGVWJBISA-N 2 0 357.567 3.559 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000584691163 943411535 /nfs/dbraw/zinc/41/15/35/943411535.db2.gz UMTDCMMPWHVSSM-GHTZIAJQSA-N 2 0 357.542 3.617 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000563060990 943413728 /nfs/dbraw/zinc/41/37/28/943413728.db2.gz SHOJXVKWKIJZSZ-ROUUACIJSA-N 2 0 365.521 3.868 20 0 FHADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143287 943418459 /nfs/dbraw/zinc/41/84/59/943418459.db2.gz WWLSGAMHMSSSEL-PGRDOPGGSA-N 2 0 351.494 3.513 20 0 FHADRP CCOc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000503930158 943421820 /nfs/dbraw/zinc/42/18/20/943421820.db2.gz SIYACFQZVOXJSR-UHFFFAOYSA-N 2 0 374.447 3.848 20 0 FHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423163132 943422005 /nfs/dbraw/zinc/42/20/05/943422005.db2.gz QUOXSRYUIVQQDC-SVVKQXANSA-N 2 0 364.489 3.787 20 0 FHADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167904 943424404 /nfs/dbraw/zinc/42/44/04/943424404.db2.gz GAFDDWCCKWPHMG-UGKGYDQZSA-N 2 0 351.494 3.725 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423219093 943447592 /nfs/dbraw/zinc/44/75/92/943447592.db2.gz WCBQYFWKIMACIK-PBHICJAKSA-N 2 0 357.523 3.785 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232024 943453691 /nfs/dbraw/zinc/45/36/91/943453691.db2.gz BSZBKHIVCIVXFR-GIWBLDEGSA-N 2 0 365.521 3.655 20 0 FHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423263429 943454915 /nfs/dbraw/zinc/45/49/15/943454915.db2.gz XGHGEHYNAMQALC-NEPJUHHUSA-N 2 0 364.383 3.930 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423263436 943455717 /nfs/dbraw/zinc/45/57/17/943455717.db2.gz XGLCFLMMWIICGM-XJKSGUPXSA-N 2 0 353.304 3.642 20 0 FHADRP COCCC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423255219 943460574 /nfs/dbraw/zinc/46/05/74/943460574.db2.gz BEYXGWPKBRFBAI-CRAIPNDOSA-N 2 0 369.347 3.896 20 0 FHADRP COCCC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423255220 943460976 /nfs/dbraw/zinc/46/09/76/943460976.db2.gz BEYXGWPKBRFBAI-MAUKXSAKSA-N 2 0 369.347 3.896 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423257364 943461274 /nfs/dbraw/zinc/46/12/74/943461274.db2.gz IZZFVVFBNXDTGA-WFASDCNBSA-N 2 0 355.345 3.965 20 0 FHADRP C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ncc(Br)cc1F ZINC000423293132 943465968 /nfs/dbraw/zinc/46/59/68/943465968.db2.gz PWAHKSCHWDUSCD-WDEREUQCSA-N 2 0 352.251 3.854 20 0 FHADRP C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000423293131 943466042 /nfs/dbraw/zinc/46/60/42/943466042.db2.gz PWAHKSCHWDUSCD-QWRGUYRKSA-N 2 0 352.251 3.854 20 0 FHADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423297618 943476063 /nfs/dbraw/zinc/47/60/63/943476063.db2.gz LAYVMLHTAJORJJ-NXHRZFHOSA-N 2 0 352.494 3.942 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)c2ccccc2N(C)C)cc1 ZINC000423346052 943478573 /nfs/dbraw/zinc/47/85/73/943478573.db2.gz YHPHUVHSOGBWBJ-TYCQWZJGSA-N 2 0 353.510 3.558 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423348761 943479301 /nfs/dbraw/zinc/47/93/01/943479301.db2.gz UWFPFWQHXFNHHV-BDJLRTHQSA-N 2 0 353.329 3.741 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423337875 943484057 /nfs/dbraw/zinc/48/40/57/943484057.db2.gz UHQYUSLPHHZJRY-FQEVSTJZSA-N 2 0 359.558 3.683 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423339855 943484738 /nfs/dbraw/zinc/48/47/38/943484738.db2.gz BNCCUNNDGWIXID-OPAMFIHVSA-N 2 0 353.510 3.937 20 0 FHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423350471 943487057 /nfs/dbraw/zinc/48/70/57/943487057.db2.gz XNCMLFFAXJTJKT-DJPFJPOOSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423355838 943489421 /nfs/dbraw/zinc/48/94/21/943489421.db2.gz PRWMYQKIHYBTKH-XGRCMKMKSA-N 2 0 350.510 3.541 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423364044 943492467 /nfs/dbraw/zinc/49/24/67/943492467.db2.gz YWWMBGABPQUBPM-KRWDZBQOSA-N 2 0 353.304 3.664 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423368105 943493908 /nfs/dbraw/zinc/49/39/08/943493908.db2.gz CXXMSHSPUDYNOU-GOSISDBHSA-N 2 0 361.258 3.969 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@@H]32)cc1 ZINC000423391076 943499947 /nfs/dbraw/zinc/49/99/47/943499947.db2.gz PFOUHZZVTNLTMU-HJOGWXRNSA-N 2 0 361.533 3.823 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423395108 943500765 /nfs/dbraw/zinc/50/07/65/943500765.db2.gz RRVBHMLNIIQGCU-LBPRGKRZSA-N 2 0 363.274 3.912 20 0 FHADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423399319 943502941 /nfs/dbraw/zinc/50/29/41/943502941.db2.gz UOGFBRAWXHDENU-INIZCTEOSA-N 2 0 355.320 3.506 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423419650 943503955 /nfs/dbraw/zinc/50/39/55/943503955.db2.gz IUCNHTVOZJMKGA-DVECYGJZSA-N 2 0 363.549 3.559 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000423402507 943507503 /nfs/dbraw/zinc/50/75/03/943507503.db2.gz XUIUIQHZACXVFS-XYPHTWIQSA-N 2 0 355.320 3.647 20 0 FHADRP COCC1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC[NH2+]CC1 ZINC000423403457 943507628 /nfs/dbraw/zinc/50/76/28/943507628.db2.gz HSEXUBVWWHHSQS-HNNXBMFYSA-N 2 0 373.324 3.813 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423405702 943508099 /nfs/dbraw/zinc/50/80/99/943508099.db2.gz YIMIGNKAVLOZLU-QGZVFWFLSA-N 2 0 354.450 3.535 20 0 FHADRP COCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000423409921 943509727 /nfs/dbraw/zinc/50/97/27/943509727.db2.gz RAGHTRVEPXGDRS-QFIPXVFZSA-N 2 0 352.522 3.966 20 0 FHADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423412157 943510447 /nfs/dbraw/zinc/51/04/47/943510447.db2.gz WIDALZQPHLKTMR-INIZCTEOSA-N 2 0 360.420 3.642 20 0 FHADRP C[C@H](c1ccc2ccccc2c1)[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743362 943514085 /nfs/dbraw/zinc/51/40/85/943514085.db2.gz ITBOGRKRXCUVIQ-QZTJIDSGSA-N 2 0 365.521 3.563 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423468985 943524380 /nfs/dbraw/zinc/52/43/80/943524380.db2.gz KCYSBFIJQHKMRT-FDQGKXFDSA-N 2 0 351.332 3.877 20 0 FHADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423476801 943526200 /nfs/dbraw/zinc/52/62/00/943526200.db2.gz ROVQDSRKROXRMT-YRISNDGFSA-N 2 0 354.469 3.805 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000423476783 943526240 /nfs/dbraw/zinc/52/62/40/943526240.db2.gz RLCDZFLUKTYQDT-ZENOOKHLSA-N 2 0 353.304 3.770 20 0 FHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423479163 943527567 /nfs/dbraw/zinc/52/75/67/943527567.db2.gz LVLPYIKRHYDWGZ-UHOSZYNNSA-N 2 0 364.505 3.956 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423480068 943527596 /nfs/dbraw/zinc/52/75/96/943527596.db2.gz MSGFPYMPUDRJPO-GOEBONIOSA-N 2 0 353.304 3.785 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423453356 943527943 /nfs/dbraw/zinc/52/79/43/943527943.db2.gz KMSSYKPSZDHYPL-ZBEGNZNMSA-N 2 0 355.251 3.988 20 0 FHADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000187700271 943532671 /nfs/dbraw/zinc/53/26/71/943532671.db2.gz XZHKEQOHMHITKR-QGZVFWFLSA-N 2 0 365.562 3.630 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423494074 943537138 /nfs/dbraw/zinc/53/71/38/943537138.db2.gz CTEZVHUEFVTQSB-QQHRNGFRSA-N 2 0 355.345 3.949 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423495256 943537907 /nfs/dbraw/zinc/53/79/07/943537907.db2.gz UFPSGSPBPHJTRJ-JQFCIGGWSA-N 2 0 355.320 3.634 20 0 FHADRP C[C@@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1Cc1ccccc1 ZINC000423530965 943538580 /nfs/dbraw/zinc/53/85/80/943538580.db2.gz RYPFMRCCFTVPFI-AYLRFPOSSA-N 2 0 367.581 3.783 20 0 FHADRP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCc1ccccc1 ZINC000414748540 943539804 /nfs/dbraw/zinc/53/98/04/943539804.db2.gz IQWNOHWRYGSNAK-HXUWFJFHSA-N 2 0 354.494 3.848 20 0 FHADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351971 943542898 /nfs/dbraw/zinc/54/28/98/943542898.db2.gz TVWHWICDSFGHOJ-BPQIPLTHSA-N 2 0 359.539 3.755 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423517476 943543269 /nfs/dbraw/zinc/54/32/69/943543269.db2.gz YXEINCAXYZOWQD-NMNUPHIUSA-N 2 0 351.538 3.749 20 0 FHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1OC(F)F ZINC000423520574 943544911 /nfs/dbraw/zinc/54/49/11/943544911.db2.gz RMOKFXQGPJPQNS-LEOMRAHMSA-N 2 0 367.484 3.545 20 0 FHADRP c1csc(CN(CCSc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435687050 943546764 /nfs/dbraw/zinc/54/67/64/943546764.db2.gz BYYJLKUARUGILM-QGZVFWFLSA-N 2 0 359.564 3.880 20 0 FHADRP C[C@@H]1CCSCC[NH+]1Cc1cncc(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000584761156 943547726 /nfs/dbraw/zinc/54/77/26/943547726.db2.gz HJUFUDQIOHLHAI-IAGOWNOFSA-N 2 0 365.612 3.736 20 0 FHADRP COCCC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423536421 943550508 /nfs/dbraw/zinc/55/05/08/943550508.db2.gz HVSPJDVHHHFHEP-SFHVURJKSA-N 2 0 367.331 3.816 20 0 FHADRP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538395 943550855 /nfs/dbraw/zinc/55/08/55/943550855.db2.gz MTCHVJJINCDGEP-INIZCTEOSA-N 2 0 355.707 3.989 20 0 FHADRP Fc1cc(Br)ccc1[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423536908 943551198 /nfs/dbraw/zinc/55/11/98/943551198.db2.gz IOOUAKDQYFIIGJ-QGZVFWFLSA-N 2 0 353.279 3.939 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423542507 943552758 /nfs/dbraw/zinc/55/27/58/943552758.db2.gz GONJKCJWKFGUJZ-FAJBIJEISA-N 2 0 363.343 3.748 20 0 FHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423548769 943553901 /nfs/dbraw/zinc/55/39/01/943553901.db2.gz MUJWDDYICWPMJA-GNXKAVGDSA-N 2 0 350.506 3.957 20 0 FHADRP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423549093 943555041 /nfs/dbraw/zinc/55/50/41/943555041.db2.gz RSPFLHZMWSTTCX-ZSXPUABSSA-N 2 0 355.913 3.997 20 0 FHADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)CC[NH2+]1 ZINC000414752106 943566244 /nfs/dbraw/zinc/56/62/44/943566244.db2.gz JYXFCCKREHDDMA-FSZRXZPDSA-N 2 0 367.331 3.599 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962251 943649964 /nfs/dbraw/zinc/64/99/64/943649964.db2.gz DQZDCPILNWALBD-LEWJYISDSA-N 2 0 357.542 3.521 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000424131236 943757914 /nfs/dbraw/zinc/75/79/14/943757914.db2.gz IRPXREGCVLMKBU-QZTJIDSGSA-N 2 0 351.560 3.545 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256701 943804747 /nfs/dbraw/zinc/80/47/47/943804747.db2.gz NRSYLGNXAWIHGL-GBESFXJTSA-N 2 0 363.590 3.514 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417687882 943824032 /nfs/dbraw/zinc/82/40/32/943824032.db2.gz IHFKIXZCKRTASP-SFHVURJKSA-N 2 0 372.557 3.563 20 0 FHADRP CCN(C(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424298934 943827027 /nfs/dbraw/zinc/82/70/27/943827027.db2.gz URSKWJKOXITWEG-GOSISDBHSA-N 2 0 365.521 3.657 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000515367005 943830377 /nfs/dbraw/zinc/83/03/77/943830377.db2.gz DMYCSQIHUXHRQA-ZDUSSCGKSA-N 2 0 355.320 3.840 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000424274424 943830528 /nfs/dbraw/zinc/83/05/28/943830528.db2.gz YWDZLLXUMGFJKF-WVNPWQTNSA-N 2 0 358.526 3.596 20 0 FHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424274074 943830874 /nfs/dbraw/zinc/83/08/74/943830874.db2.gz VDIKWQYJXVWJCH-HXMRDFBYSA-N 2 0 372.553 3.589 20 0 FHADRP COc1ccccc1-c1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424301902 943850843 /nfs/dbraw/zinc/85/08/43/943850843.db2.gz YFDOETDTNYKNNS-HNNXBMFYSA-N 2 0 357.523 3.783 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1OCc1cccnc1)CC[NH2+]CC2 ZINC000424386474 943894246 /nfs/dbraw/zinc/89/42/46/943894246.db2.gz XDJPJRFJRQMOMJ-SFHVURJKSA-N 2 0 351.494 3.625 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417864479 943914535 /nfs/dbraw/zinc/91/45/35/943914535.db2.gz BEIXZKXEJWGQNL-SFHLNBCPSA-N 2 0 374.573 3.522 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000424442152 943917149 /nfs/dbraw/zinc/91/71/49/943917149.db2.gz XIRARZDOOHEYOB-PXNSSMCTSA-N 2 0 366.509 3.628 20 0 FHADRP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)s2)cc1 ZINC000414789324 943931375 /nfs/dbraw/zinc/93/13/75/943931375.db2.gz OCRLMLXIIDLBGT-GOSISDBHSA-N 2 0 356.535 3.911 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)c1 ZINC000515523973 943976944 /nfs/dbraw/zinc/97/69/44/943976944.db2.gz WEHFBWAWXYRXJF-IDYZSHNDSA-N 2 0 359.558 3.701 20 0 FHADRP CCCc1ccc([C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000437645812 943994287 /nfs/dbraw/zinc/99/42/87/943994287.db2.gz LBNOXXCTLPJOJW-HSZRJFAPSA-N 2 0 371.569 3.669 20 0 FHADRP CCCc1ccc([C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000437645814 943994480 /nfs/dbraw/zinc/99/44/80/943994480.db2.gz LBNOXXCTLPJOJW-QHCPKHFHSA-N 2 0 371.569 3.669 20 0 FHADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647937265 944030573 /nfs/dbraw/zinc/03/05/73/944030573.db2.gz URCUEGNCGSKJDQ-UTKZUKDTSA-N 2 0 367.493 3.867 20 0 FHADRP COc1sc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1Br ZINC000414804431 944037243 /nfs/dbraw/zinc/03/72/43/944037243.db2.gz DYAACWRETKUSLO-JTQLQIEISA-N 2 0 355.301 3.829 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC000709308355 944067343 /nfs/dbraw/zinc/06/73/43/944067343.db2.gz PQRRTVDAVNCZBI-QGZVFWFLSA-N 2 0 353.551 3.627 20 0 FHADRP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207487999 944067531 /nfs/dbraw/zinc/06/75/31/944067531.db2.gz BIIQYLRGINRMMY-CQSZACIVSA-N 2 0 351.332 3.928 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000500112685 944120506 /nfs/dbraw/zinc/12/05/06/944120506.db2.gz FDJJLSWUQACMBO-UHFFFAOYSA-N 2 0 361.549 3.986 20 0 FHADRP Fc1ccc2c(c1)onc2C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000517241775 944134913 /nfs/dbraw/zinc/13/49/13/944134913.db2.gz ZUUFVEJGKMEVPD-UHFFFAOYSA-N 2 0 365.452 3.992 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000436234768 944138182 /nfs/dbraw/zinc/13/81/82/944138182.db2.gz RUZZHLLWRHDBCC-UHFFFAOYSA-N 2 0 355.457 3.580 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000414818121 944139312 /nfs/dbraw/zinc/13/93/12/944139312.db2.gz UUOJIMNYLAYSSX-HZPDHXFCSA-N 2 0 373.928 3.887 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000517258268 944153409 /nfs/dbraw/zinc/15/34/09/944153409.db2.gz ZDALLIADHGBJQF-RTWAWAEBSA-N 2 0 353.510 3.838 20 0 FHADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000437842454 944157246 /nfs/dbraw/zinc/15/72/46/944157246.db2.gz LGFLPVKBFLEDJG-JOCHJYFZSA-N 2 0 369.553 3.809 20 0 FHADRP COCCC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000425935250 944220033 /nfs/dbraw/zinc/22/00/33/944220033.db2.gz HLFIPMSTEUHVEB-RHSMWYFYSA-N 2 0 357.336 3.704 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414918187 944221489 /nfs/dbraw/zinc/22/14/89/944221489.db2.gz SVUKPZOXDUTWAG-QFIPXVFZSA-N 2 0 370.541 3.793 20 0 FHADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515800948 944233246 /nfs/dbraw/zinc/23/32/46/944233246.db2.gz SIOMPBMLDSCDSM-LJQANCHMSA-N 2 0 372.557 3.711 20 0 FHADRP Cc1ccc(C[N@@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001167975072 944268861 /nfs/dbraw/zinc/26/88/61/944268861.db2.gz GLUVRXBCQDGWLN-MBJRSGMTSA-N 2 0 353.554 3.564 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436400765 944277049 /nfs/dbraw/zinc/27/70/49/944277049.db2.gz LOBSQLBUNXLIAF-FGCOXFRFSA-N 2 0 364.533 3.754 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)ccn1 ZINC000436403161 944280282 /nfs/dbraw/zinc/28/02/82/944280282.db2.gz GRUZENUVQPRTTG-TZIWHRDSSA-N 2 0 353.510 3.523 20 0 FHADRP C[C@]1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000311173268 944300956 /nfs/dbraw/zinc/30/09/56/944300956.db2.gz USMIUOQJCUPNMK-KZNAEPCWSA-N 2 0 356.432 3.598 20 0 FHADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414920455 944302488 /nfs/dbraw/zinc/30/24/88/944302488.db2.gz ZKUOQZUZVPRXES-JOCHJYFZSA-N 2 0 372.484 3.893 20 0 FHADRP CC(C)N(C(=O)[C@@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483933 944321281 /nfs/dbraw/zinc/32/12/81/944321281.db2.gz CXCDAOSXDLZCNV-AQNXPRMDSA-N 2 0 351.579 3.607 20 0 FHADRP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2CN2CCOCC2)C1 ZINC000436468774 944348208 /nfs/dbraw/zinc/34/82/08/944348208.db2.gz JQVPPFDVYWSCMW-UHFFFAOYSA-N 2 0 350.506 3.729 20 0 FHADRP Cc1cccc(C[N@@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167975807 944365434 /nfs/dbraw/zinc/36/54/34/944365434.db2.gz WITWFWGKHVTEER-MBJRSGMTSA-N 2 0 353.554 3.564 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000544251393 944371390 /nfs/dbraw/zinc/37/13/90/944371390.db2.gz UYBWSLYMFYIJNB-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP Cc1cccn2cc(COc3ccc(C[NH2+]CCCC[NH+](C)C)cc3)nc12 ZINC000517553020 944386137 /nfs/dbraw/zinc/38/61/37/944386137.db2.gz MQJSORPWIRGBIM-UHFFFAOYSA-N 2 0 366.509 3.653 20 0 FHADRP c1ccc2c(c1)C=C(C[NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)CO2 ZINC000518454123 944391730 /nfs/dbraw/zinc/39/17/30/944391730.db2.gz ZHUCIDMNJBNVTL-UHFFFAOYSA-N 2 0 364.489 3.727 20 0 FHADRP Cn1cnc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000664838203 944401757 /nfs/dbraw/zinc/40/17/57/944401757.db2.gz RNNAFOAXOXIHEU-OAQYLSRUSA-N 2 0 352.526 3.543 20 0 FHADRP Cn1nccc1CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838205 944402026 /nfs/dbraw/zinc/40/20/26/944402026.db2.gz RROYWSJVLAHVLR-QFIPXVFZSA-N 2 0 366.553 3.585 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000517564047 944403851 /nfs/dbraw/zinc/40/38/51/944403851.db2.gz WBFNTZZBWPKYFK-NRFANRHFSA-N 2 0 359.558 3.650 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c2)cc1 ZINC000517567599 944407658 /nfs/dbraw/zinc/40/76/58/944407658.db2.gz NQYHBXGPZIRRGI-NRFANRHFSA-N 2 0 369.509 3.753 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc4c3NCCC4)cc2)CC1 ZINC000894692319 944424168 /nfs/dbraw/zinc/42/41/68/944424168.db2.gz FGBOMYOARSMWGD-UHFFFAOYSA-N 2 0 365.521 3.808 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000550218139 944483633 /nfs/dbraw/zinc/48/36/33/944483633.db2.gz FKFOOFHUHBXQNG-UHFFFAOYSA-N 2 0 353.510 3.969 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801263 944519761 /nfs/dbraw/zinc/51/97/61/944519761.db2.gz GWXCYLNVRHPTHW-PBHICJAKSA-N 2 0 360.420 3.626 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414995477 944538440 /nfs/dbraw/zinc/53/84/40/944538440.db2.gz FSQWIYGHPRJPDA-GXFFZTMASA-N 2 0 363.246 3.658 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC000426356094 944544344 /nfs/dbraw/zinc/54/43/44/944544344.db2.gz HBHIYFATYDRWOK-YQVWRLOYSA-N 2 0 360.542 3.965 20 0 FHADRP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414890141 944552031 /nfs/dbraw/zinc/55/20/31/944552031.db2.gz HDBINOKIENYVBS-CYBMUJFWSA-N 2 0 365.319 3.585 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000414997482 944583606 /nfs/dbraw/zinc/58/36/06/944583606.db2.gz HJTKLNDJBAOCJL-PXNSSMCTSA-N 2 0 361.493 3.541 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419295 944602152 /nfs/dbraw/zinc/60/21/52/944602152.db2.gz BKJXDDKVBMYXPM-GHTZIAJQSA-N 2 0 356.510 3.617 20 0 FHADRP CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419297 944602500 /nfs/dbraw/zinc/60/25/00/944602500.db2.gz BKJXDDKVBMYXPM-RXVVDRJESA-N 2 0 356.510 3.617 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894785987 944613276 /nfs/dbraw/zinc/61/32/76/944613276.db2.gz BNVSILZGQCEHRE-UHFFFAOYSA-N 2 0 371.506 3.622 20 0 FHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073062 944643832 /nfs/dbraw/zinc/64/38/32/944643832.db2.gz OELIRJFYODUEHH-RTWAWAEBSA-N 2 0 360.542 3.845 20 0 FHADRP CC[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3CCCO[C@H](CC)C3)c2)CCCO1 ZINC000439476616 944658129 /nfs/dbraw/zinc/65/81/29/944658129.db2.gz RSKWJMUFDOVAMI-FGZHOGPDSA-N 2 0 360.542 3.688 20 0 FHADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000162739616 944702508 /nfs/dbraw/zinc/70/25/08/944702508.db2.gz XHCIIEHHVRPLKQ-MRXNPFEDSA-N 2 0 374.916 3.564 20 0 FHADRP CCCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000516314584 944717308 /nfs/dbraw/zinc/71/73/08/944717308.db2.gz AIPKCLWBFWUGDM-OPYAIIAOSA-N 2 0 372.557 3.644 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000438560524 944770131 /nfs/dbraw/zinc/77/01/31/944770131.db2.gz GKHUALWUXCZCEB-QFIPXVFZSA-N 2 0 365.521 3.784 20 0 FHADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426775174 944792736 /nfs/dbraw/zinc/79/27/36/944792736.db2.gz RPIPBHHVGZZOPB-PMACEKPBSA-N 2 0 360.542 3.667 20 0 FHADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000505925387 944899631 /nfs/dbraw/zinc/89/96/31/944899631.db2.gz SEQMEZBPWNHIEF-PWRODBHTSA-N 2 0 363.590 3.610 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414943130 944935716 /nfs/dbraw/zinc/93/57/16/944935716.db2.gz NKTRVABFSDWOPE-AVRDEDQJSA-N 2 0 360.505 3.935 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414941960 944937953 /nfs/dbraw/zinc/93/79/53/944937953.db2.gz DCMYSRLLJIMLQE-APWZRJJASA-N 2 0 366.534 3.890 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000505937924 944943562 /nfs/dbraw/zinc/94/35/62/944943562.db2.gz ZWCTXEGBCULVGT-ONTIZHBOSA-N 2 0 371.569 3.792 20 0 FHADRP CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000516550205 944996444 /nfs/dbraw/zinc/99/64/44/944996444.db2.gz ZRMSZTWNZDIBDR-HXUWFJFHSA-N 2 0 371.569 3.690 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000437079939 944997325 /nfs/dbraw/zinc/99/73/25/944997325.db2.gz VBHQQUFRPOXAQU-MGPUTAFESA-N 2 0 358.457 3.941 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000414946988 945003579 /nfs/dbraw/zinc/00/35/79/945003579.db2.gz KEUBIKIXSWMWGN-YJBOKZPZSA-N 2 0 350.466 3.671 20 0 FHADRP Cc1c(Cl)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nc2ccccc12 ZINC000516556769 945024966 /nfs/dbraw/zinc/02/49/66/945024966.db2.gz SALCDFPQYDWPBD-LAUBAEHRSA-N 2 0 373.928 3.915 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnc3ccc(Cl)cn23)cc1 ZINC000415010473 945400556 /nfs/dbraw/zinc/40/05/56/945400556.db2.gz UXODXHDGAXEKHT-BEFAXECRSA-N 2 0 372.875 3.610 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000519480382 945464476 /nfs/dbraw/zinc/46/44/76/945464476.db2.gz VRGYNQDXLPXDSU-KNKQGSTJSA-N 2 0 369.553 3.760 20 0 FHADRP c1n[nH]nc1CC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764442 945473686 /nfs/dbraw/zinc/47/36/86/945473686.db2.gz NPXGYNCGGXKGMB-JOCHJYFZSA-N 2 0 367.541 3.504 20 0 FHADRP Clc1cccnc1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167967482 945543609 /nfs/dbraw/zinc/54/36/09/945543609.db2.gz FHWLBFZMPPZDLG-YQQQUEKLSA-N 2 0 374.960 3.699 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCC(=O)N3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048649 945560452 /nfs/dbraw/zinc/56/04/52/945560452.db2.gz XGZMHNMETQLOOG-CEQLMSFQSA-N 2 0 369.553 3.563 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651669713 945580240 /nfs/dbraw/zinc/58/02/40/945580240.db2.gz FZFQHFLKGHCGQR-UHFFFAOYSA-N 2 0 360.473 3.975 20 0 FHADRP CCSc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000187800835 945599286 /nfs/dbraw/zinc/59/92/86/945599286.db2.gz RKALHGQUGJUTCP-INIZCTEOSA-N 2 0 359.539 3.985 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000519767734 945723226 /nfs/dbraw/zinc/72/32/26/945723226.db2.gz IODGWZHYZXTKMG-LAUBAEHRSA-N 2 0 361.599 3.649 20 0 FHADRP CC(C)(C)C(=O)Nc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cn1 ZINC000629703721 945730120 /nfs/dbraw/zinc/73/01/20/945730120.db2.gz PNJHCRHTWRSCDH-UHFFFAOYSA-N 2 0 366.509 3.656 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519911589 945879030 /nfs/dbraw/zinc/87/90/30/945879030.db2.gz OXFSDCVCDPCWQA-YADHBBJMSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)C[NH+]1CCOCC1 ZINC000301792767 945968223 /nfs/dbraw/zinc/96/82/23/945968223.db2.gz OGOPHSMVDJUPNX-CYBMUJFWSA-N 2 0 353.388 3.634 20 0 FHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000188114462 945973230 /nfs/dbraw/zinc/97/32/30/945973230.db2.gz OMHQPRDWHLSNLO-VXKWHMMOSA-N 2 0 360.542 3.593 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000188124544 945981784 /nfs/dbraw/zinc/98/17/84/945981784.db2.gz MGNFKMDSOLWORW-AEFFLSMTSA-N 2 0 352.544 3.569 20 0 FHADRP CC1CC[NH+]([C@@H](CNC(=O)CCCCCC[NH3+])c2cccs2)CC1 ZINC000236720384 945996221 /nfs/dbraw/zinc/99/62/21/945996221.db2.gz UCBZUWXWQHEAON-KRWDZBQOSA-N 2 0 351.560 3.547 20 0 FHADRP C[C@@H](CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056677 946020824 /nfs/dbraw/zinc/02/08/24/946020824.db2.gz LKISGFVMYJJRIA-PCCBWWKXSA-N 2 0 374.569 3.803 20 0 FHADRP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cc(F)ccc2[nH+]1 ZINC000302060090 946102235 /nfs/dbraw/zinc/10/22/35/946102235.db2.gz SMUSAVUNYRLZRT-LJQANCHMSA-N 2 0 365.452 3.861 20 0 FHADRP Cc1cc2cc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)oc2cc1C ZINC000579163277 946201597 /nfs/dbraw/zinc/20/15/97/946201597.db2.gz HDHUUFZNJBQCEB-UHFFFAOYSA-N 2 0 355.526 3.509 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3cccnc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056015 946320657 /nfs/dbraw/zinc/32/06/57/946320657.db2.gz ZWTQOSCBSVSWOA-QRICJDHISA-N 2 0 365.521 3.976 20 0 FHADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056067 946341004 /nfs/dbraw/zinc/34/10/04/946341004.db2.gz BXXQZRHDPYUZFG-ZDOXGEDHSA-N 3 0 355.570 3.702 20 0 FHADRP CC(C)O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000428352958 946457877 /nfs/dbraw/zinc/45/78/77/946457877.db2.gz SPAWNQXOBIINTO-HSZRJFAPSA-N 2 0 374.569 3.977 20 0 FHADRP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000164509950 946595582 /nfs/dbraw/zinc/59/55/82/946595582.db2.gz CXCAVWOGXFOXPK-QGZVFWFLSA-N 2 0 352.482 3.979 20 0 FHADRP C[C@H]1CC([NH+]2CCC3(CCC(=O)N3C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058240 946603464 /nfs/dbraw/zinc/60/34/64/946603464.db2.gz PRTJPGDDLFDPRP-OALUTQOASA-N 2 0 369.553 3.515 20 0 FHADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000192745287 946634279 /nfs/dbraw/zinc/63/42/79/946634279.db2.gz MIULSDVVGRMIFD-LQCXBHPOSA-N 2 0 354.469 3.644 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 ZINC000112531576 946646594 /nfs/dbraw/zinc/64/65/94/946646594.db2.gz LMUDLQQMGOEAEM-OAHLLOKOSA-N 2 0 374.554 3.719 20 0 FHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000475197203 946685835 /nfs/dbraw/zinc/68/58/35/946685835.db2.gz XMEWOVDZCSSNGU-ZACQAIPSSA-N 2 0 361.555 3.879 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192831567 946699689 /nfs/dbraw/zinc/69/96/89/946699689.db2.gz PPCAQZYFTUPYMR-BEFAXECRSA-N 2 0 357.473 3.899 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C[C@@H](C)O1 ZINC000544379666 946705033 /nfs/dbraw/zinc/70/50/33/946705033.db2.gz SNTKNIUSDSPDBU-JBYIUTFZSA-N 2 0 371.500 3.789 20 0 FHADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)C2 ZINC000475575552 946721075 /nfs/dbraw/zinc/72/10/75/946721075.db2.gz RKICZGNPXGQYSH-LMDPOFIKSA-N 2 0 363.343 3.913 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(Cl)nc3)cc2)CC1 ZINC000179106737 946825749 /nfs/dbraw/zinc/82/57/49/946825749.db2.gz KXJYANVMOFRLOS-KRWDZBQOSA-N 2 0 372.944 3.723 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824619269 946868720 /nfs/dbraw/zinc/86/87/20/946868720.db2.gz WADSSIHVARDDAP-INIZCTEOSA-N 2 0 364.497 3.558 20 0 FHADRP CC(C)(C)c1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652346801 946875093 /nfs/dbraw/zinc/87/50/93/946875093.db2.gz INISQZZFYLBRIU-DWLFOUALSA-N 2 0 374.569 3.971 20 0 FHADRP CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995092 946891949 /nfs/dbraw/zinc/89/19/49/946891949.db2.gz VQZPWHSDGAHIRX-VDXGAUASSA-N 2 0 367.581 3.988 20 0 FHADRP Fc1ccc(C[N@@H+]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001167995189 946893156 /nfs/dbraw/zinc/89/31/56/946893156.db2.gz YMEOCXXHKZJJGR-AIZNXBIQSA-N 2 0 371.544 3.739 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)C1 ZINC000652348593 946894022 /nfs/dbraw/zinc/89/40/22/946894022.db2.gz JIFXUOVZGFREPS-QZNHQXDQSA-N 2 0 352.522 3.991 20 0 FHADRP CC(C)c1nccn1Cc1cccc(NC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000102061754 946903233 /nfs/dbraw/zinc/90/32/33/946903233.db2.gz SKJHQBPEMSIVAB-UHFFFAOYSA-N 2 0 357.502 3.517 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000652364475 946933344 /nfs/dbraw/zinc/93/33/44/946933344.db2.gz SKORLPCCFCBVAH-SWUCNREESA-N 2 0 366.505 3.732 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1NC(C)=O ZINC000164638597 946941302 /nfs/dbraw/zinc/94/13/02/946941302.db2.gz VRGHLGGJWGRXDX-QGZVFWFLSA-N 2 0 361.530 3.960 20 0 FHADRP c1ccc(C[N@H+]2CCC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)cc1 ZINC000444613466 947039250 /nfs/dbraw/zinc/03/92/50/947039250.db2.gz KGXAYBPNYNIEJJ-UHFFFAOYSA-N 2 0 355.570 3.851 20 0 FHADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000192918785 947106136 /nfs/dbraw/zinc/10/61/36/947106136.db2.gz LPYODSNUQXVFNY-KNQAVFIVSA-N 2 0 350.506 3.664 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825415462 947182850 /nfs/dbraw/zinc/18/28/50/947182850.db2.gz BIPIFRFFNMSWPB-INIZCTEOSA-N 2 0 364.497 3.559 20 0 FHADRP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C)n1 ZINC000301268361 947260230 /nfs/dbraw/zinc/26/02/30/947260230.db2.gz ITFBOIARUMZYHM-MRXNPFEDSA-N 2 0 350.388 3.799 20 0 FHADRP C[C@@H]1CC([NH+]2CCC(C(C)(C)C(N)=O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065906 947315403 /nfs/dbraw/zinc/31/54/03/947315403.db2.gz YZWNJKSRBOHTJL-QZTJIDSGSA-N 2 0 371.569 3.652 20 0 FHADRP CN1CCC(CNC(=O)c2ccc(C3CCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000188259121 947491687 /nfs/dbraw/zinc/49/16/87/947491687.db2.gz WRNXFISLDMJBCY-UHFFFAOYSA-N 2 0 369.553 3.634 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]CCC(=O)N(C)c2ccccc2)cc1 ZINC000663284139 947658911 /nfs/dbraw/zinc/65/89/11/947658911.db2.gz WFTHCYAGEACEDE-UHFFFAOYSA-N 2 0 353.510 3.671 20 0 FHADRP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254953 947674954 /nfs/dbraw/zinc/67/49/54/947674954.db2.gz CCOHTEBJHRKUMM-YLJYHZDGSA-N 2 0 366.505 3.876 20 0 FHADRP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254945 947675652 /nfs/dbraw/zinc/67/56/52/947675652.db2.gz CCOHTEBJHRKUMM-FXAWDEMLSA-N 2 0 366.505 3.876 20 0 FHADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264090 947682608 /nfs/dbraw/zinc/68/26/08/947682608.db2.gz RCWRFBSGOGTYDD-XXBNENTESA-N 2 0 363.549 3.817 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286948 947710316 /nfs/dbraw/zinc/71/03/16/947710316.db2.gz URDNNWXVNCLWDK-QGPMSJSTSA-N 2 0 354.947 3.650 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294025 947716688 /nfs/dbraw/zinc/71/66/88/947716688.db2.gz AEVSJKUWFJASEU-IEBWSBKVSA-N 2 0 357.542 3.849 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1F ZINC000662297862 947719058 /nfs/dbraw/zinc/71/90/58/947719058.db2.gz SNIODUCQZDKQJJ-HNNXBMFYSA-N 2 0 367.896 3.519 20 0 FHADRP Cc1sc2nc([C@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298426 947720811 /nfs/dbraw/zinc/72/08/11/947720811.db2.gz WCANKADRPKGCQT-XJKSGUPXSA-N 2 0 374.554 3.786 20 0 FHADRP O=C(c1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1)N1CCCCC1 ZINC000662296522 947722449 /nfs/dbraw/zinc/72/24/49/947722449.db2.gz LQWVIXCABXFEEH-QFIPXVFZSA-N 2 0 369.553 3.524 20 0 FHADRP Cc1ccc(F)c(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000523936715 947741306 /nfs/dbraw/zinc/74/13/06/947741306.db2.gz FHBODOJVCRROOT-UHFFFAOYSA-N 2 0 369.528 3.822 20 0 FHADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC1)CC2 ZINC000662327133 947751247 /nfs/dbraw/zinc/75/12/47/947751247.db2.gz KDNXGFPFSSUEBK-JOCHJYFZSA-N 2 0 368.500 3.883 20 0 FHADRP CSc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327283 947759391 /nfs/dbraw/zinc/75/93/91/947759391.db2.gz MDGHCSPLTBYTSK-UHFFFAOYSA-N 2 0 370.566 3.978 20 0 FHADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327328 947759462 /nfs/dbraw/zinc/75/94/62/947759462.db2.gz NIZOOSIRJYYSCT-OAHLLOKOSA-N 2 0 356.489 3.956 20 0 FHADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344078 947807327 /nfs/dbraw/zinc/80/73/27/947807327.db2.gz NKSYXJYBUCOQIQ-UEVCKROQSA-N 2 0 355.570 3.751 20 0 FHADRP Cc1ccc2cc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000189811455 947841348 /nfs/dbraw/zinc/84/13/48/947841348.db2.gz VQTDLNHFXQOSCB-OALUTQOASA-N 2 0 367.537 3.864 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662590691 947917765 /nfs/dbraw/zinc/91/77/65/947917765.db2.gz SLIGYDKIKORAJY-QFIPXVFZSA-N 2 0 371.569 3.770 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000511976892 947933473 /nfs/dbraw/zinc/93/34/73/947933473.db2.gz JRRXHRZSCWQHHA-SFHVURJKSA-N 2 0 357.542 3.521 20 0 FHADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467343 948055654 /nfs/dbraw/zinc/05/56/54/948055654.db2.gz DYMNARWPHQKAQB-OXJNMPFZSA-N 2 0 357.498 3.942 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466596 948057803 /nfs/dbraw/zinc/05/78/03/948057803.db2.gz VXYKBFLVVRGSQU-XQUALCHDSA-N 2 0 367.581 3.894 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470144 948064133 /nfs/dbraw/zinc/06/41/33/948064133.db2.gz SLPOPXNNOJIETD-SJLPKXTDSA-N 2 0 370.541 3.743 20 0 FHADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190583398 948087658 /nfs/dbraw/zinc/08/76/58/948087658.db2.gz QVLSHKZQGBIFDY-OAHLLOKOSA-N 2 0 361.349 3.520 20 0 FHADRP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190583416 948087803 /nfs/dbraw/zinc/08/78/03/948087803.db2.gz QVLSHKZQGBIFDY-HNNXBMFYSA-N 2 0 361.349 3.520 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823545 948100576 /nfs/dbraw/zinc/10/05/76/948100576.db2.gz DIEHFINRDBBMTD-NZQKXSOJSA-N 2 0 371.569 3.934 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001167824756 948112715 /nfs/dbraw/zinc/11/27/15/948112715.db2.gz GHEBRSZRRXCKGO-GOSISDBHSA-N 2 0 351.966 3.968 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)CC1 ZINC000663506098 948126920 /nfs/dbraw/zinc/12/69/20/948126920.db2.gz PTLMPUAUNOHMFF-SYYKKAFVSA-N 2 0 371.569 3.539 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001167826244 948128928 /nfs/dbraw/zinc/12/89/28/948128928.db2.gz NHYCMAMGEMQMHI-QGZVFWFLSA-N 2 0 372.513 3.517 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167826989 948134860 /nfs/dbraw/zinc/13/48/60/948134860.db2.gz SSCRKAKYCQIUMS-QGZVFWFLSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001167828157 948168739 /nfs/dbraw/zinc/16/87/39/948168739.db2.gz ZZPDLZRPNGUNPK-QGZVFWFLSA-N 2 0 371.529 3.822 20 0 FHADRP CCc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)on1 ZINC001203217765 948169028 /nfs/dbraw/zinc/16/90/28/948169028.db2.gz JDJASBOOIQQGJV-UHFFFAOYSA-N 2 0 369.509 3.734 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167833404 948223235 /nfs/dbraw/zinc/22/32/35/948223235.db2.gz AWRQXPLEOAFPAT-INDMIFKZSA-N 2 0 367.578 3.732 20 0 FHADRP COc1ccccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432368255 948236457 /nfs/dbraw/zinc/23/64/57/948236457.db2.gz PCPSVMGGBCIMEG-LJQANCHMSA-N 2 0 368.521 3.953 20 0 FHADRP Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001143586304 948274954 /nfs/dbraw/zinc/27/49/54/948274954.db2.gz WESDQAQJEIKZIS-HXUWFJFHSA-N 2 0 372.484 3.983 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC001167835693 948297579 /nfs/dbraw/zinc/29/75/79/948297579.db2.gz SWSKNKSZDDUWPX-SFHVURJKSA-N 2 0 351.579 3.658 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001167835880 948299294 /nfs/dbraw/zinc/29/92/94/948299294.db2.gz VIHBZAQNSWQVOE-KRWDZBQOSA-N 2 0 363.521 3.530 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001167838058 948311171 /nfs/dbraw/zinc/31/11/71/948311171.db2.gz PEEHMZCAZGMZEQ-SFHVURJKSA-N 2 0 351.966 3.968 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001167838090 948312790 /nfs/dbraw/zinc/31/27/90/948312790.db2.gz PSQQZPNQUOIXKP-MSOLQXFVSA-N 2 0 355.567 3.876 20 0 FHADRP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003777 948314388 /nfs/dbraw/zinc/31/43/88/948314388.db2.gz QMCVJQIFRQZXFF-WRURNZQNSA-N 2 0 370.537 3.681 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167841118 948354174 /nfs/dbraw/zinc/35/41/74/948354174.db2.gz KIWCVMVEJTZWSC-INIZCTEOSA-N 2 0 353.551 3.581 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC000512071582 948357157 /nfs/dbraw/zinc/35/71/57/948357157.db2.gz KVOZGJRIMBYNID-ONEGZZNKSA-N 2 0 360.448 3.751 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2ccc(Cl)c(OC)c2)CC1 ZINC001167841877 948369509 /nfs/dbraw/zinc/36/95/09/948369509.db2.gz SVSDKBDQUMFUNY-KRWDZBQOSA-N 2 0 367.965 3.981 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367187 948386301 /nfs/dbraw/zinc/38/63/01/948386301.db2.gz WLXXRQMITUKXHR-SJORKVTESA-N 2 0 358.530 3.695 20 0 FHADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432422942 948389026 /nfs/dbraw/zinc/38/90/26/948389026.db2.gz HLELQZDDUIICTB-IRXDYDNUSA-N 2 0 370.484 3.700 20 0 FHADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432422941 948389153 /nfs/dbraw/zinc/38/91/53/948389153.db2.gz HLELQZDDUIICTB-IAGOWNOFSA-N 2 0 370.484 3.700 20 0 FHADRP COc1cccc(OC)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000512087992 948389496 /nfs/dbraw/zinc/38/94/96/948389496.db2.gz MUEJDFNTDSAMHP-UHFFFAOYSA-N 2 0 354.494 3.706 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842953 948398459 /nfs/dbraw/zinc/39/84/59/948398459.db2.gz ZYLMYIQSVYXGNB-MSOLQXFVSA-N 2 0 355.567 3.686 20 0 FHADRP COc1ccc(CNC2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000512102002 948422665 /nfs/dbraw/zinc/42/26/65/948422665.db2.gz XFTGWCSANIXSLR-UHFFFAOYSA-N 2 0 353.304 3.564 20 0 FHADRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)CCO1 ZINC000512132982 948507422 /nfs/dbraw/zinc/50/74/22/948507422.db2.gz WQHOUFNZDDESKS-QGZVFWFLSA-N 2 0 350.462 3.943 20 0 FHADRP CCC(CC)(CNC(=O)CCC1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000236830797 948627832 /nfs/dbraw/zinc/62/78/32/948627832.db2.gz PZSKCDJEMZVBFX-SFHVURJKSA-N 2 0 359.558 3.792 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000154390535 948757811 /nfs/dbraw/zinc/75/78/11/948757811.db2.gz QTZFEFBGYPDHTI-HSZRJFAPSA-N 2 0 357.586 3.795 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008274 948775728 /nfs/dbraw/zinc/77/57/28/948775728.db2.gz WZUWXWQQBZVDOB-YDLSIGKMSA-N 2 0 352.522 3.925 20 0 FHADRP c1coc(C2=CCC[NH+](CCOCC[N@@H+]3CCC=C(c4ccco4)C3)C2)c1 ZINC000511118908 370687530 /nfs/dbraw/zinc/68/75/30/370687530.db2.gz BWXAVAJQJCLEIR-UHFFFAOYSA-N 2 0 368.477 3.768 20 0 FHADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000188584997 567972395 /nfs/dbraw/zinc/97/23/95/567972395.db2.gz IKHDOFVKPMNFBJ-LJQANCHMSA-N 2 0 374.573 3.544 20 0 FHADRP C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602672363 568008261 /nfs/dbraw/zinc/00/82/61/568008261.db2.gz XJKSICZFRAZLHO-SNOBZRMMSA-N 2 0 368.546 3.882 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000186999575 568048027 /nfs/dbraw/zinc/04/80/27/568048027.db2.gz XZCMPSNGWNEYTN-FQEVSTJZSA-N 2 0 361.599 3.848 20 0 FHADRP CC(C)c1noc(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000563119971 568224718 /nfs/dbraw/zinc/22/47/18/568224718.db2.gz ODALRIHTDMDQAW-LJQANCHMSA-N 2 0 368.525 3.912 20 0 FHADRP C[C@H](CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000431593754 568334232 /nfs/dbraw/zinc/33/42/32/568334232.db2.gz BOLXMWLSLLICTK-YPAWHYETSA-N 2 0 364.574 3.550 20 0 FHADRP COc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1Br ZINC000604770704 568363063 /nfs/dbraw/zinc/36/30/63/568363063.db2.gz CHSREVQVAQBCNM-INIZCTEOSA-N 2 0 357.336 3.914 20 0 FHADRP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)c1ccnc(Cl)c1 ZINC001164732609 720547206 /nfs/dbraw/zinc/54/72/06/720547206.db2.gz ABEWTTAHORGUTG-INIZCTEOSA-N 2 0 365.949 3.982 20 0 FHADRP Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165026840 721808890 /nfs/dbraw/zinc/80/88/90/721808890.db2.gz RQZOYQCMMCIORR-CEWLAPEOSA-N 2 0 350.510 3.830 20 0 FHADRP CCOC(=O)c1c[nH]c2cc(N3CCCC[C@H]3CC[NH+]3CCCC3)[nH+]cc21 ZINC001165049046 721974676 /nfs/dbraw/zinc/97/46/76/721974676.db2.gz LUTYEZBGICTBHL-INIZCTEOSA-N 2 0 370.497 3.584 20 0 FHADRP CN(C)c1cc[nH+]c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164992743 722198920 /nfs/dbraw/zinc/19/89/20/722198920.db2.gz AVRSPTSNJHVYKQ-OAQYLSRUSA-N 2 0 354.473 3.532 20 0 FHADRP [NH3+][C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237892777 936328969 /nfs/dbraw/zinc/32/89/69/936328969.db2.gz YINNFSSVSJNLNG-QFIPXVFZSA-N 2 0 365.521 3.769 20 0 FHADRP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000414956347 945064334 /nfs/dbraw/zinc/06/43/34/945064334.db2.gz ABVZZSKKSHGACY-SFHVURJKSA-N 2 0 366.431 3.572 20 0 FHADRP C[NH+](C)CC1(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CCCCC1 ZINC000427085124 945068033 /nfs/dbraw/zinc/06/80/33/945068033.db2.gz POFRVLARXORYEM-UHFFFAOYSA-N 2 0 357.542 3.774 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)ccn1 ZINC000579767733 927365169 /nfs/dbraw/zinc/36/51/69/927365169.db2.gz KXTCTTVBLWQBBA-FQEVSTJZSA-N 2 0 364.493 3.671 20 0 FHADRP NC1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000643544608 927380527 /nfs/dbraw/zinc/38/05/27/927380527.db2.gz GKGQLMACHWIQKW-OAQYLSRUSA-N 2 0 371.475 3.535 20 0 FHADRP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000123588743 927615604 /nfs/dbraw/zinc/61/56/04/927615604.db2.gz KWBWSIRRVVICPQ-LNRXMEIDSA-N 2 0 356.554 3.926 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000579811380 927757343 /nfs/dbraw/zinc/75/73/43/927757343.db2.gz BRCKACKGYWGEOK-HXUWFJFHSA-N 2 0 372.557 3.961 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000274740654 927764967 /nfs/dbraw/zinc/76/49/67/927764967.db2.gz ADYHWSLUQWJJCK-BYIDQZDESA-N 2 0 362.583 3.566 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000123597372 928053420 /nfs/dbraw/zinc/05/34/20/928053420.db2.gz IGJSTHKNKICUNG-GOSISDBHSA-N 2 0 372.475 3.663 20 0 FHADRP C[NH+](C)Cc1ccc(-c2noc(C3(CC4CCC4)CC[NH2+]CC3)n2)cc1 ZINC001211501057 928082014 /nfs/dbraw/zinc/08/20/14/928082014.db2.gz YVVNNKZCVMJTJV-UHFFFAOYSA-N 2 0 354.498 3.610 20 0 FHADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150818274 937226548 /nfs/dbraw/zinc/22/65/48/937226548.db2.gz VAQNUGMDLMJXKU-GOSISDBHSA-N 2 0 351.494 3.586 20 0 FHADRP c1ccc(C[NH+]2CC3(C2)CC[NH+](C[C@H]2COC4(CCCCC4)O2)CC3)cc1 ZINC001208641140 928337339 /nfs/dbraw/zinc/33/73/39/928337339.db2.gz DCRDTSQRSLPGBB-NRFANRHFSA-N 2 0 370.537 3.660 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000179387714 928737148 /nfs/dbraw/zinc/73/71/48/928737148.db2.gz AZDAYKPDWUYCAM-DLBZAZTESA-N 2 0 356.489 3.774 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccncc2)CC1 ZINC000179387733 928737572 /nfs/dbraw/zinc/73/75/72/928737572.db2.gz AZDAYKPDWUYCAM-IAGOWNOFSA-N 2 0 356.489 3.774 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154460077 928850924 /nfs/dbraw/zinc/85/09/24/928850924.db2.gz LNHOJWQHWFKTKG-INIZCTEOSA-N 2 0 373.463 3.654 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154484606 928861133 /nfs/dbraw/zinc/86/11/33/928861133.db2.gz URBHEDGPMYTKCO-SFHVURJKSA-N 2 0 367.990 3.884 20 0 FHADRP C[NH+](C)C1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCCCC1 ZINC000047304617 928937686 /nfs/dbraw/zinc/93/76/86/928937686.db2.gz MLMVDWGCLLBHQA-UHFFFAOYSA-N 2 0 371.569 3.669 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154549643 928938191 /nfs/dbraw/zinc/93/81/91/928938191.db2.gz NIVRDZQNYUCJEJ-HXUWFJFHSA-N 2 0 366.553 3.817 20 0 FHADRP C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162841876 937319748 /nfs/dbraw/zinc/31/97/48/937319748.db2.gz YNICHMIRSVHEEF-INIZCTEOSA-N 2 0 367.497 3.908 20 0 FHADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000180464685 929517745 /nfs/dbraw/zinc/51/77/45/929517745.db2.gz LRFAELFRNGLOQJ-DYESRHJHSA-N 2 0 357.929 3.655 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)[C@@H](C)C2 ZINC000180472270 929519465 /nfs/dbraw/zinc/51/94/65/929519465.db2.gz HUYPZMIQRUINHM-MHECFPHRSA-N 2 0 364.533 3.975 20 0 FHADRP COc1ccccc1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683689679 929802405 /nfs/dbraw/zinc/80/24/05/929802405.db2.gz HSRCIIMRUOAUIN-MZADTFQBSA-N 2 0 366.505 3.859 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691285 929807875 /nfs/dbraw/zinc/80/78/75/929807875.db2.gz AVVHAMQWQTYUCV-LRSLUSHPSA-N 2 0 366.553 3.945 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CC3 ZINC000123040345 929870522 /nfs/dbraw/zinc/87/05/22/929870522.db2.gz CISSGYXERDOKRG-SFHVURJKSA-N 2 0 363.505 3.885 20 0 FHADRP FC(F)(F)C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683721340 929918770 /nfs/dbraw/zinc/91/87/70/929918770.db2.gz SRPOMNXOVCYWDQ-QGZVFWFLSA-N 2 0 356.432 3.936 20 0 FHADRP c1ccc(C[NH+]2CCN(CCC[NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000683765158 930077683 /nfs/dbraw/zinc/07/76/83/930077683.db2.gz FICZLSIMVMZPPF-UHFFFAOYSA-N 2 0 374.532 3.532 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000583378880 937393436 /nfs/dbraw/zinc/39/34/36/937393436.db2.gz RECNSTFAUYLEGB-MRXNPFEDSA-N 2 0 369.534 3.550 20 0 FHADRP C[NH+](C)CCCOc1cccc(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000548060156 930237545 /nfs/dbraw/zinc/23/75/45/930237545.db2.gz NRACFOIXWJYRTO-UHFFFAOYSA-N 2 0 361.530 3.610 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064611 930267829 /nfs/dbraw/zinc/26/78/29/930267829.db2.gz KMNLTUZGOALLFX-KNQAVFIVSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000683824207 930308019 /nfs/dbraw/zinc/30/80/19/930308019.db2.gz HBRTYHWVJLEPLH-IAQYHMDHSA-N 2 0 355.345 3.916 20 0 FHADRP CC(C)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000580253406 930408433 /nfs/dbraw/zinc/40/84/33/930408433.db2.gz VVCSLOPSMOALOM-HXUWFJFHSA-N 2 0 363.452 3.787 20 0 FHADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580311645 930471210 /nfs/dbraw/zinc/47/12/10/930471210.db2.gz XMFDKMYLAPBZEY-FYYLOGMGSA-N 2 0 366.505 3.862 20 0 FHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc3ccccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000683927894 930639298 /nfs/dbraw/zinc/63/92/98/930639298.db2.gz QAJLLTCUZGHXNF-QHCPKHFHSA-N 2 0 362.521 3.636 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Oc1cccnc1 ZINC000580431329 930675179 /nfs/dbraw/zinc/67/51/79/930675179.db2.gz JCKYKQYGIXXUQD-IRLDBZIGSA-N 2 0 367.493 3.511 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756949 930741955 /nfs/dbraw/zinc/74/19/55/930741955.db2.gz CYSADOCVQUWWKR-CZUORRHYSA-N 2 0 355.320 3.620 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000471596901 930881341 /nfs/dbraw/zinc/88/13/41/930881341.db2.gz YQCGTFYJTKIKRO-VQIMIIECSA-N 2 0 357.567 3.894 20 0 FHADRP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971474 930925163 /nfs/dbraw/zinc/92/51/63/930925163.db2.gz QGGDXHRVNZPKNH-UHFFFAOYSA-N 2 0 371.569 3.622 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000047978575 930967858 /nfs/dbraw/zinc/96/78/58/930967858.db2.gz VKGSPCNDGGWDJX-JOCHJYFZSA-N 2 0 371.569 3.576 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000047978765 930974934 /nfs/dbraw/zinc/97/49/34/930974934.db2.gz GQYDMQPMNSQCLZ-HSZRJFAPSA-N 2 0 371.569 3.616 20 0 FHADRP CC1CC[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773824 931134618 /nfs/dbraw/zinc/13/46/18/931134618.db2.gz UFGUVNFSNSIGIW-JOCHJYFZSA-N 2 0 355.570 3.895 20 0 FHADRP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Br ZINC000088163817 931205207 /nfs/dbraw/zinc/20/52/07/931205207.db2.gz CBMNNWZNXVMSPR-GOOCMWNKSA-N 2 0 353.304 3.563 20 0 FHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000580901868 931320230 /nfs/dbraw/zinc/32/02/30/931320230.db2.gz DDBOMTDWWYRWLQ-DLBZAZTESA-N 2 0 356.432 3.613 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(-c3ccccn3)c2)C[C@@H](C)O1 ZINC000127358858 931323841 /nfs/dbraw/zinc/32/38/41/931323841.db2.gz YNTLSXUGAGUSFH-RTBURBONSA-N 2 0 353.510 3.728 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000580915727 931341659 /nfs/dbraw/zinc/34/16/59/931341659.db2.gz AASJYYNHGXYGDB-HXUWFJFHSA-N 2 0 371.550 3.532 20 0 FHADRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2)cc1OC ZINC000580952793 931399422 /nfs/dbraw/zinc/39/94/22/931399422.db2.gz VDJLIZNSJSKXAX-KDURUIRLSA-N 2 0 366.505 3.802 20 0 FHADRP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000255957721 931517006 /nfs/dbraw/zinc/51/70/06/931517006.db2.gz VNRVCNMMVAWCIR-FHWLQOOXSA-N 2 0 359.558 3.511 20 0 FHADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccc2ccccc2c1 ZINC000581066769 931536463 /nfs/dbraw/zinc/53/64/63/931536463.db2.gz WKMWBSYOUNVOBO-QHCPKHFHSA-N 2 0 352.522 3.740 20 0 FHADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000581161089 931625549 /nfs/dbraw/zinc/62/55/49/931625549.db2.gz ZJOKLDVMGDMFAR-UHFFFAOYSA-N 2 0 363.221 3.819 20 0 FHADRP COCC[C@H](Cc1ccco1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548157747 931748710 /nfs/dbraw/zinc/74/87/10/931748710.db2.gz SPHIIXRZLSAPHP-HLAWJBBLSA-N 2 0 356.510 3.727 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560404 931846745 /nfs/dbraw/zinc/84/67/45/931846745.db2.gz WATUCEBMGVBNLB-DBVUQKKJSA-N 2 0 362.477 3.885 20 0 FHADRP C[NH+]1CCC(N2CCC([NH2+]C3CC(c4ccccc4Cl)C3)CC2)CC1 ZINC000510397788 931903210 /nfs/dbraw/zinc/90/32/10/931903210.db2.gz WRUAGMKVHGKZKU-UHFFFAOYSA-N 2 0 361.961 3.734 20 0 FHADRP [NH3+]Cc1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)cc1 ZINC000647159095 932015346 /nfs/dbraw/zinc/01/53/46/932015346.db2.gz WLBMSSFZMZNEAX-NFBKMPQASA-N 2 0 374.488 3.749 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC2(CC1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000581416545 932015517 /nfs/dbraw/zinc/01/55/17/932015517.db2.gz LEJZTZWKHQRREZ-UHFFFAOYSA-N 2 0 374.492 3.714 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000564452586 932249537 /nfs/dbraw/zinc/24/95/37/932249537.db2.gz GWXFVBFPZHWSNY-QXAKKESOSA-N 2 0 372.534 3.895 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000581596081 932291922 /nfs/dbraw/zinc/29/19/22/932291922.db2.gz RYCGATVQKOQZGU-SIKLNZKXSA-N 2 0 371.569 3.586 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000656677829 932320778 /nfs/dbraw/zinc/32/07/78/932320778.db2.gz QNIDQEZQGGYSQK-HNNXBMFYSA-N 2 0 368.468 3.830 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781930 932410978 /nfs/dbraw/zinc/41/09/78/932410978.db2.gz AAMUIDRLGZJHLC-OAQYLSRUSA-N 2 0 365.521 3.872 20 0 FHADRP COc1c(Br)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786605 932421198 /nfs/dbraw/zinc/42/11/98/932421198.db2.gz OCEUKQSOTJDBTI-HNNXBMFYSA-N 2 0 367.331 3.669 20 0 FHADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000656790987 932423729 /nfs/dbraw/zinc/42/37/29/932423729.db2.gz OVRQNSFLIRQMNW-QFIPXVFZSA-N 2 0 351.494 3.521 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000656792322 932425253 /nfs/dbraw/zinc/42/52/53/932425253.db2.gz KAYYRQKCIRFZNQ-JOCHJYFZSA-N 2 0 367.537 3.918 20 0 FHADRP CC(C)Sc1cccc(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684367440 932426834 /nfs/dbraw/zinc/42/68/34/932426834.db2.gz PAUQJGPXKHXBAT-UHFFFAOYSA-N 2 0 370.006 3.956 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000581748729 932601195 /nfs/dbraw/zinc/60/11/95/932601195.db2.gz NZFXVYKBAROWJH-UNMCSNQZSA-N 2 0 367.537 3.913 20 0 FHADRP CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](C)C(=O)OC)C2 ZINC001279517698 932621939 /nfs/dbraw/zinc/62/19/39/932621939.db2.gz OJAIHBIXCWXABO-DYXWJJEUSA-N 2 0 352.563 3.800 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000430763254 933217525 /nfs/dbraw/zinc/21/75/25/933217525.db2.gz NMSUGWRFXIXNSZ-LAUBAEHRSA-N 2 0 351.494 3.742 20 0 FHADRP C[NH+](CCC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)C1CCCCC1 ZINC000548391912 933312898 /nfs/dbraw/zinc/31/28/98/933312898.db2.gz JOAHMGXYXXBAKD-UHFFFAOYSA-N 2 0 357.542 3.916 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430898084 933389291 /nfs/dbraw/zinc/38/92/91/933389291.db2.gz UPJPUZWGKZTXTL-QFIPXVFZSA-N 2 0 371.569 3.525 20 0 FHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000430914036 933400304 /nfs/dbraw/zinc/40/03/04/933400304.db2.gz HMDGBHRONICEJT-HSZRJFAPSA-N 2 0 373.560 3.941 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430914305 933400367 /nfs/dbraw/zinc/40/03/67/933400367.db2.gz JBMIHQBMZYAPLE-UHFFFAOYSA-N 2 0 372.944 3.777 20 0 FHADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000430922140 933420344 /nfs/dbraw/zinc/42/03/44/933420344.db2.gz XPCBKAQZQRDXGA-QFIPXVFZSA-N 2 0 359.558 3.555 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430924038 933421223 /nfs/dbraw/zinc/42/12/23/933421223.db2.gz HOMAWKLVYNIDPZ-FRRDWIJNSA-N 2 0 372.340 3.618 20 0 FHADRP Cc1nc(COc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)cs1 ZINC000430944697 933460692 /nfs/dbraw/zinc/46/06/92/933460692.db2.gz UOKKAIJUMCSDLW-UHFFFAOYSA-N 2 0 357.523 3.606 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430946147 933460701 /nfs/dbraw/zinc/46/07/01/933460701.db2.gz ZNRFJQKKZKRDQJ-FQEVSTJZSA-N 2 0 362.477 3.757 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000510868279 933902943 /nfs/dbraw/zinc/90/29/43/933902943.db2.gz KPNZMXORPLEFAN-OALUTQOASA-N 2 0 371.569 3.769 20 0 FHADRP CCC[NH+]1CCC(N(C)Cc2ccccc2OCc2ccccn2)CC1 ZINC000092165555 933913630 /nfs/dbraw/zinc/91/36/30/933913630.db2.gz JRKSPRMBSLILSR-UHFFFAOYSA-N 2 0 353.510 3.967 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000510889390 933972485 /nfs/dbraw/zinc/97/24/85/933972485.db2.gz WQNQCOQDUGDWCB-IAGOWNOFSA-N 2 0 371.500 3.565 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000092381371 934031709 /nfs/dbraw/zinc/03/17/09/934031709.db2.gz CYTGMQRCZRZCQZ-UHFFFAOYSA-N 2 0 353.510 3.824 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000132379301 934038657 /nfs/dbraw/zinc/03/86/57/934038657.db2.gz XTVJLIRIBNZOQF-QZTJIDSGSA-N 2 0 367.990 3.739 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132344459 934041715 /nfs/dbraw/zinc/04/17/15/934041715.db2.gz ZXNMXHCRHLNYQP-KBXCAEBGSA-N 2 0 358.357 3.916 20 0 FHADRP C[N@@H+](Cc1sccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000891933101 934086085 /nfs/dbraw/zinc/08/60/85/934086085.db2.gz AWIJSYNMYSOJRH-UHFFFAOYSA-N 2 0 353.532 3.869 20 0 FHADRP CC(C)c1ncc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587052 934100089 /nfs/dbraw/zinc/10/00/89/934100089.db2.gz VBMUVPWYXFKNDR-IYBDPMFKSA-N 2 0 351.560 3.588 20 0 FHADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535682606 934273253 /nfs/dbraw/zinc/27/32/53/934273253.db2.gz ZCFNVIAGCDOYSD-HXUWFJFHSA-N 2 0 371.569 3.525 20 0 FHADRP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OCC[NH+](C)C ZINC000458193491 934365038 /nfs/dbraw/zinc/36/50/38/934365038.db2.gz IVMSKPTYPVAFSE-SFHVURJKSA-N 2 0 373.541 3.529 20 0 FHADRP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000510987586 934462436 /nfs/dbraw/zinc/46/24/36/934462436.db2.gz SRDNWYMFEOAIJH-BWAGFHJFSA-N 2 0 350.506 3.880 20 0 FHADRP Cc1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)ccc1C[NH+](C)C ZINC000458263985 934544847 /nfs/dbraw/zinc/54/48/47/934544847.db2.gz BFZNSEIWPYDAIM-UHFFFAOYSA-N 2 0 351.494 3.905 20 0 FHADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090456764 934645548 /nfs/dbraw/zinc/64/55/48/934645548.db2.gz NRHNCXBSARUMAA-OLZOCXBDSA-N 2 0 357.311 3.839 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236876739 934924131 /nfs/dbraw/zinc/92/41/31/934924131.db2.gz PMBJZXUKJWMOAZ-UTKZUKDTSA-N 2 0 369.509 3.682 20 0 FHADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000090605564 934966705 /nfs/dbraw/zinc/96/67/05/934966705.db2.gz RJUDKMKNMUHDSR-SPEDKVCISA-N 2 0 360.542 3.632 20 0 FHADRP COC(=O)c1ccc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000537021130 935010908 /nfs/dbraw/zinc/01/09/08/935010908.db2.gz FSKBXYRZCQHQHZ-INIZCTEOSA-N 2 0 371.481 3.761 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431340325 935181405 /nfs/dbraw/zinc/18/14/05/935181405.db2.gz BFMSKCYFVMFSAS-FUHWJXTLSA-N 2 0 354.922 3.809 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000157906859 935220686 /nfs/dbraw/zinc/22/06/86/935220686.db2.gz CCSVVJCFNBDQBX-MSOLQXFVSA-N 2 0 359.514 3.806 20 0 FHADRP Cn1ncc(C2CCC2)c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000657330087 935229767 /nfs/dbraw/zinc/22/97/67/935229767.db2.gz ZPNLXTSKXHJKNE-UHFFFAOYSA-N 2 0 352.526 3.689 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657346728 935303141 /nfs/dbraw/zinc/30/31/41/935303141.db2.gz HQMREJRYZNZKAL-GOSISDBHSA-N 2 0 357.567 3.778 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152231697 935320904 /nfs/dbraw/zinc/32/09/04/935320904.db2.gz APLKTCGGZNUCNL-GOSISDBHSA-N 2 0 364.493 3.664 20 0 FHADRP c1cc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657369088 935412650 /nfs/dbraw/zinc/41/26/50/935412650.db2.gz XRAOHDVEZFRMEX-JOCHJYFZSA-N 2 0 362.477 3.841 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000582241525 935448754 /nfs/dbraw/zinc/44/87/54/935448754.db2.gz WOTIOGFJMWJXBP-FUHWJXTLSA-N 2 0 370.541 3.873 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415006697 945102229 /nfs/dbraw/zinc/10/22/29/945102229.db2.gz QQDXLVDDDNUGCN-AZUAARDMSA-N 2 0 354.542 3.836 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000582296085 935492771 /nfs/dbraw/zinc/49/27/71/935492771.db2.gz OMYSBTLIYWVXEL-GOSISDBHSA-N 2 0 360.889 3.532 20 0 FHADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415006776 945107756 /nfs/dbraw/zinc/10/77/56/945107756.db2.gz AENQPNXLPCOCCH-CYBMUJFWSA-N 2 0 365.319 3.550 20 0 FHADRP CN(C(=O)OC(C)(C)C)C1CCC([N@H+](C)CC(C)(C)C[NH+](C)C)CC1 ZINC001207289141 935617780 /nfs/dbraw/zinc/61/77/80/935617780.db2.gz ZWKWVGYHQDBAML-UHFFFAOYSA-N 2 0 355.567 3.684 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237070736 935708584 /nfs/dbraw/zinc/70/85/84/935708584.db2.gz QQXUYEUCDUXAQU-HXUWFJFHSA-N 2 0 351.494 3.647 20 0 FHADRP CCCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657433249 935723227 /nfs/dbraw/zinc/72/32/27/935723227.db2.gz YSLFWZBNSNLDQO-KSEOMHKRSA-N 2 0 352.526 3.683 20 0 FHADRP CSc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC000159152000 935802686 /nfs/dbraw/zinc/80/26/86/935802686.db2.gz FUBYTQBFVZDMAQ-HNNXBMFYSA-N 2 0 374.529 3.545 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452423 935805418 /nfs/dbraw/zinc/80/54/18/935805418.db2.gz FEUKPXQBKQTHOW-QGZVFWFLSA-N 2 0 374.326 3.764 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586400 935849340 /nfs/dbraw/zinc/84/93/40/935849340.db2.gz MINCXZMSQLQKRO-PCODUJHASA-N 2 0 370.459 3.973 20 0 FHADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954966 935897497 /nfs/dbraw/zinc/89/74/97/935897497.db2.gz FTRIROAAZPDOPI-QFIPXVFZSA-N 2 0 364.537 3.651 20 0 FHADRP C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955155 935897883 /nfs/dbraw/zinc/89/78/83/935897883.db2.gz IMHCRVXLKCBJDQ-JXFKEZNVSA-N 2 0 368.500 3.701 20 0 FHADRP CCN(CC1CC[NH+](CCC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC000161351230 935918577 /nfs/dbraw/zinc/91/85/77/935918577.db2.gz XNJDGIAMLXAWHE-UHFFFAOYSA-N 2 0 367.578 3.831 20 0 FHADRP Cc1cc(F)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000657537390 935976076 /nfs/dbraw/zinc/97/60/76/935976076.db2.gz JKVJHFXOCMPNCW-UHFFFAOYSA-N 2 0 354.897 3.768 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000237412296 935976746 /nfs/dbraw/zinc/97/67/46/935976746.db2.gz GNQUFBZTDSEBJO-RBUKOAKNSA-N 2 0 371.569 3.792 20 0 FHADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415007248 945140789 /nfs/dbraw/zinc/14/07/89/945140789.db2.gz RAZLPTYBSIPGTC-PLMTUMEDSA-N 2 0 358.505 3.517 20 0 FHADRP C[N@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000077276262 936043237 /nfs/dbraw/zinc/04/32/37/936043237.db2.gz QHGCUSFVODXYNT-UHFFFAOYSA-N 2 0 350.934 3.848 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)oc4ccccc43)cc2)C1 ZINC000657594882 936075586 /nfs/dbraw/zinc/07/55/86/936075586.db2.gz FDXUOBVLJYGTSF-QGZVFWFLSA-N 2 0 370.880 3.943 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237478419 936076133 /nfs/dbraw/zinc/07/61/33/936076133.db2.gz YZTNHPCQUKUZRB-OALUTQOASA-N 2 0 371.569 3.703 20 0 FHADRP COc1cc2cccnc2c(N(c2[nH+]ccc(N)c2C)[C@H](C)CCC[NH3+])c1 ZINC001167611776 936082886 /nfs/dbraw/zinc/08/28/86/936082886.db2.gz LHYKDJYUXRLPII-CQSZACIVSA-N 2 0 365.481 3.795 20 0 FHADRP c1ccc(N2CCC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000657613532 936093332 /nfs/dbraw/zinc/09/33/32/936093332.db2.gz MSAHKDQLTHGQJZ-UHFFFAOYSA-N 2 0 364.537 3.552 20 0 FHADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000237596588 936150367 /nfs/dbraw/zinc/15/03/67/936150367.db2.gz MTZAIVHCOIGRSS-UWJYYQICSA-N 2 0 351.494 3.947 20 0 FHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001167624992 936187993 /nfs/dbraw/zinc/18/79/93/936187993.db2.gz ORRSVRZPJCMWSM-KRWDZBQOSA-N 2 0 369.557 3.836 20 0 FHADRP C[C@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237677150 936204964 /nfs/dbraw/zinc/20/49/64/936204964.db2.gz VWQMVXUEFANYCW-DENIHFKCSA-N 2 0 371.569 3.705 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237687527 936207330 /nfs/dbraw/zinc/20/73/30/936207330.db2.gz BDYKVSXJYLUVGR-HDICACEKSA-N 2 0 365.521 3.553 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000611728401 936221628 /nfs/dbraw/zinc/22/16/28/936221628.db2.gz XHJJYWZLCBTXJQ-LJQANCHMSA-N 2 0 374.573 3.592 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncc(F)c3)CC2)cc1 ZINC000120683920 936245140 /nfs/dbraw/zinc/24/51/40/936245140.db2.gz NDECMAQJYKFVOW-INIZCTEOSA-N 2 0 357.473 3.792 20 0 FHADRP C[NH+](C)CC1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000090668712 936252037 /nfs/dbraw/zinc/25/20/37/936252037.db2.gz VBDZWIMLQUJMDM-UHFFFAOYSA-N 2 0 361.549 3.543 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414962124 945161192 /nfs/dbraw/zinc/16/11/92/945161192.db2.gz ZPHLLJRKHYIMTH-RDJZCZTQSA-N 2 0 352.507 3.831 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000583472446 938269188 /nfs/dbraw/zinc/26/91/88/938269188.db2.gz IRXZFFLOSQLRSE-YADHBBJMSA-N 2 0 371.569 3.608 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000472290738 938280737 /nfs/dbraw/zinc/28/07/37/938280737.db2.gz DDCLDALSGLKJSY-HXUWFJFHSA-N 2 0 360.542 3.747 20 0 FHADRP CCCCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705602 938283801 /nfs/dbraw/zinc/28/38/01/938283801.db2.gz NKLKHDIRUJGRMK-VWPQPMDRSA-N 2 0 360.542 3.974 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718010 938305029 /nfs/dbraw/zinc/30/50/29/938305029.db2.gz URGZLGQPQGANFE-HNNXBMFYSA-N 2 0 357.473 3.915 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000650719024 938307063 /nfs/dbraw/zinc/30/70/63/938307063.db2.gz AMBDWASKXHZMFF-HXUWFJFHSA-N 2 0 374.912 3.907 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723252 938310393 /nfs/dbraw/zinc/31/03/93/938310393.db2.gz KIHNCRXRNMPLSM-HYVNUMGLSA-N 2 0 363.552 3.732 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)co2)cc1 ZINC000650723451 938310731 /nfs/dbraw/zinc/31/07/31/938310731.db2.gz OFINAVSCQYBWNE-DFQSSKMNSA-N 2 0 355.482 3.511 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCc2c(F)cccc2Cl)C1 ZINC000650723522 938310827 /nfs/dbraw/zinc/31/08/27/938310827.db2.gz PNRBQSFRBBXMOG-ZMYBRWDISA-N 2 0 354.897 3.773 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773872 938318859 /nfs/dbraw/zinc/31/88/59/938318859.db2.gz VBHHXHQRUMHMIQ-FQEVSTJZSA-N 2 0 364.537 3.689 20 0 FHADRP c1ccc(C[N@H+]2CC[C@@H](NC[C@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630195 938326244 /nfs/dbraw/zinc/32/62/44/938326244.db2.gz MYJVYBSWQREMJV-IFMALSPDSA-N 2 0 353.554 3.790 20 0 FHADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657778519 938337404 /nfs/dbraw/zinc/33/74/04/938337404.db2.gz QPEGMBAIMNILMP-FGTMMUONSA-N 2 0 351.332 3.987 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665589 938348959 /nfs/dbraw/zinc/34/89/59/938348959.db2.gz FGMVTQMSXLEIMI-FCHUYYIVSA-N 2 0 371.569 3.606 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000246281297 938354885 /nfs/dbraw/zinc/35/48/85/938354885.db2.gz MONLWCUXGWQCLN-AMZGXZFVSA-N 2 0 369.553 3.598 20 0 FHADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000583812247 938423876 /nfs/dbraw/zinc/42/38/76/938423876.db2.gz ZOPDTLRGWNWZGE-LZBANZJXSA-N 3 0 355.570 3.894 20 0 FHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000650763290 938448749 /nfs/dbraw/zinc/44/87/49/938448749.db2.gz XCSLWQIEMLGXDV-LPHOPBHVSA-N 2 0 364.505 3.814 20 0 FHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583895283 938471062 /nfs/dbraw/zinc/47/10/62/938471062.db2.gz FWSJVXXQVLGOQI-PXNSSMCTSA-N 2 0 354.469 3.933 20 0 FHADRP Cc1csc(N2CCC([NH2+]CCCC[NH+]3CCC(C)CC3)CC2)n1 ZINC000158167179 938485477 /nfs/dbraw/zinc/48/54/77/938485477.db2.gz OWFOVHJFXXVWEI-UHFFFAOYSA-N 2 0 350.576 3.522 20 0 FHADRP c1ccc(COc2ccccc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)nc1 ZINC000657811476 938506482 /nfs/dbraw/zinc/50/64/82/938506482.db2.gz CUZSKAVIHXQBPA-UHFFFAOYSA-N 2 0 365.521 3.872 20 0 FHADRP Clc1ccccc1Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657812117 938514940 /nfs/dbraw/zinc/51/49/40/938514940.db2.gz LSZREYZYVIHZMF-UHFFFAOYSA-N 2 0 372.944 3.796 20 0 FHADRP COc1ccc(Br)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811921 938516459 /nfs/dbraw/zinc/51/64/59/938516459.db2.gz JZUQPUOSQWIRCF-UHFFFAOYSA-N 2 0 367.331 3.669 20 0 FHADRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(SC)cc1OC ZINC000657812828 938524297 /nfs/dbraw/zinc/52/42/97/938524297.db2.gz GOBARRXXLMYKDN-UHFFFAOYSA-N 2 0 364.555 3.637 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813115 938525208 /nfs/dbraw/zinc/52/52/08/938525208.db2.gz ZOPWZKIFDASYEP-UHFFFAOYSA-N 2 0 352.526 3.701 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814568 938527855 /nfs/dbraw/zinc/52/78/55/938527855.db2.gz JNKXULFNEYHWNK-UHFFFAOYSA-N 2 0 356.489 3.531 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000657816563 938536590 /nfs/dbraw/zinc/53/65/90/938536590.db2.gz XKESYMPSYPLJAO-UHFFFAOYSA-N 2 0 367.331 3.669 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151393007 938538887 /nfs/dbraw/zinc/53/88/87/938538887.db2.gz FYAHCVKGJVWFDI-FPOVZHCZSA-N 2 0 362.583 3.789 20 0 FHADRP CN(c1ccccc1CNC1CC[NH+](C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000133118715 938560715 /nfs/dbraw/zinc/56/07/15/938560715.db2.gz JLXWSESXTFMVLP-UHFFFAOYSA-N 2 0 372.601 3.570 20 0 FHADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000584047863 938568160 /nfs/dbraw/zinc/56/81/60/938568160.db2.gz JVIBCRFSMPPUBX-SJLPKXTDSA-N 2 0 373.932 3.741 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000080645816 938589192 /nfs/dbraw/zinc/58/91/92/938589192.db2.gz DGNAMYGLEDKIAY-UHFFFAOYSA-N 2 0 371.525 3.973 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414965400 945189701 /nfs/dbraw/zinc/18/97/01/945189701.db2.gz FSCIVQPICRKXNE-GOSISDBHSA-N 2 0 360.933 3.823 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657836649 938646490 /nfs/dbraw/zinc/64/64/90/938646490.db2.gz VBAGQYFUMQHOBQ-TZIWHRDSSA-N 2 0 363.977 3.983 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657837033 938667824 /nfs/dbraw/zinc/66/78/24/938667824.db2.gz XJVVMUBSTLLGFN-IBGZPJMESA-N 2 0 371.491 3.644 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C(c1ccccc1)c1ccccc1 ZINC000151850671 938712194 /nfs/dbraw/zinc/71/21/94/938712194.db2.gz AMMNPSOKICLRML-LJQANCHMSA-N 2 0 352.522 3.501 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000708539706 938814522 /nfs/dbraw/zinc/81/45/22/938814522.db2.gz DXUNRKPWMBQXSR-JXFKEZNVSA-N 2 0 364.493 3.836 20 0 FHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[C@@]12CCCO2 ZINC000562838746 938831189 /nfs/dbraw/zinc/83/11/89/938831189.db2.gz NJAMZGKCTYWSFQ-GPVXHPMSSA-N 2 0 372.553 3.746 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000516745425 945209934 /nfs/dbraw/zinc/20/99/34/945209934.db2.gz ULFMCQNTFQJAKF-MJGOQNOKSA-N 2 0 357.523 3.528 20 0 FHADRP C[C@H](c1ccncc1)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090667801 938881859 /nfs/dbraw/zinc/88/18/59/938881859.db2.gz ZDVFZSVFKWHLMI-LJQANCHMSA-N 2 0 370.585 3.994 20 0 FHADRP C[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320512 938900265 /nfs/dbraw/zinc/90/02/65/938900265.db2.gz OGGNZWRCXIIHIC-DNVCBOLYSA-N 2 0 369.475 3.630 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000431562198 938971139 /nfs/dbraw/zinc/97/11/39/938971139.db2.gz BROGSSXYHFWCSL-MOPGFXCFSA-N 2 0 371.550 3.694 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)CN1CC[NH+](C)CC1 ZINC000443979247 938979957 /nfs/dbraw/zinc/97/99/57/938979957.db2.gz KEKKNYIZYMHDDQ-SFHVURJKSA-N 2 0 371.500 3.591 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000657887857 938981888 /nfs/dbraw/zinc/98/18/88/938981888.db2.gz MUGJSXJTONDETP-GCJKJVERSA-N 2 0 360.542 3.633 20 0 FHADRP CCCCCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457306 938987799 /nfs/dbraw/zinc/98/77/99/938987799.db2.gz ALFPKDOXYIVANP-QFIPXVFZSA-N 2 0 373.585 3.856 20 0 FHADRP CC(C)C[C@@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457387 938987909 /nfs/dbraw/zinc/98/79/09/938987909.db2.gz BKNPVHWFPSVHTN-GMAHTHKFSA-N 2 0 357.586 3.917 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000685453203 938988260 /nfs/dbraw/zinc/98/82/60/938988260.db2.gz TVHZOOUGOBWXHB-UHFFFAOYSA-N 2 0 371.569 3.624 20 0 FHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)CC1 ZINC000685462829 938988620 /nfs/dbraw/zinc/98/86/20/938988620.db2.gz OQOWOTTZTZMZHZ-JOCHJYFZSA-N 2 0 365.521 3.824 20 0 FHADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685471300 938989498 /nfs/dbraw/zinc/98/94/98/938989498.db2.gz BIGMABAEWCCVGT-NRFANRHFSA-N 2 0 368.525 3.838 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000657905481 938995508 /nfs/dbraw/zinc/99/55/08/938995508.db2.gz LBNQMNPOCUBOFW-SFHVURJKSA-N 2 0 372.475 3.851 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431606517 938997047 /nfs/dbraw/zinc/99/70/47/938997047.db2.gz FCFRMYVLEQPQOO-JOCHJYFZSA-N 2 0 367.537 3.838 20 0 FHADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066460 939021488 /nfs/dbraw/zinc/02/14/88/939021488.db2.gz AUEBRDGQIGURNU-CQSZACIVSA-N 2 0 351.560 3.556 20 0 FHADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658066667 939021501 /nfs/dbraw/zinc/02/15/01/939021501.db2.gz CXVBZRJVPCCZFV-KRWDZBQOSA-N 2 0 363.571 3.564 20 0 FHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067935 939021593 /nfs/dbraw/zinc/02/15/93/939021593.db2.gz SJXVOPKUQMBXFK-QZTJIDSGSA-N 2 0 360.542 3.668 20 0 FHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658068187 939021799 /nfs/dbraw/zinc/02/17/99/939021799.db2.gz BBEPCXWUSHEUBF-JOCHJYFZSA-N 2 0 358.526 3.553 20 0 FHADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000658110055 939023790 /nfs/dbraw/zinc/02/37/90/939023790.db2.gz ZOJBRBCJQPQNQM-OALUTQOASA-N 2 0 354.542 3.671 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134709 939030254 /nfs/dbraw/zinc/03/02/54/939030254.db2.gz BGCWJKQOFRIQNA-MVJPYGJCSA-N 2 0 356.535 3.597 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137064 939030670 /nfs/dbraw/zinc/03/06/70/939030670.db2.gz IRGAHCLZNWBNDF-IFMALSPDSA-N 2 0 354.469 3.560 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136734 939031184 /nfs/dbraw/zinc/03/11/84/939031184.db2.gz FAHCWEMKQMNHMM-RBBKRZOGSA-N 2 0 353.510 3.525 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142214 939036068 /nfs/dbraw/zinc/03/60/68/939036068.db2.gz DNQOUMDXGSQJNA-ICSRJNTNSA-N 2 0 354.519 3.580 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138052 939040680 /nfs/dbraw/zinc/04/06/80/939040680.db2.gz MJIFFCCTMWSULA-DWJNZPNVSA-N 2 0 350.506 3.535 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658138196 939042486 /nfs/dbraw/zinc/04/24/86/939042486.db2.gz NBPVHTDGKWOCQJ-YADHBBJMSA-N 2 0 353.510 3.525 20 0 FHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138359 939042559 /nfs/dbraw/zinc/04/25/59/939042559.db2.gz JIBHULKIQFDNBH-IFMALSPDSA-N 2 0 366.505 3.565 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140822 939043340 /nfs/dbraw/zinc/04/33/40/939043340.db2.gz RDWXIKJZZDGBPP-FGSXEWAUSA-N 2 0 368.521 3.544 20 0 FHADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165698 939053247 /nfs/dbraw/zinc/05/32/47/939053247.db2.gz KFZPXBSKKSEJLO-SFHVURJKSA-N 2 0 353.510 3.961 20 0 FHADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658168359 939055778 /nfs/dbraw/zinc/05/57/78/939055778.db2.gz WHIXGSHRESEKQC-LJQANCHMSA-N 2 0 367.537 3.913 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@H]21 ZINC000658317453 939109520 /nfs/dbraw/zinc/10/95/20/939109520.db2.gz LCLVVIXZVOHAET-WZYRSQIMSA-N 2 0 367.581 3.751 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658353358 939124079 /nfs/dbraw/zinc/12/40/79/939124079.db2.gz MFSKALOIAPZCPO-FQEVSTJZSA-N 3 0 369.597 3.794 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356226 939124888 /nfs/dbraw/zinc/12/48/88/939124888.db2.gz NBCJPZPACJXFTF-AUSIDOKSSA-N 3 0 355.570 3.609 20 0 FHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000658357151 939125518 /nfs/dbraw/zinc/12/55/18/939125518.db2.gz RQSARBYQEUPSFV-QGZVFWFLSA-N 2 0 352.526 3.953 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)nnn1-c1ccc(C)cc1 ZINC000658355543 939125557 /nfs/dbraw/zinc/12/55/57/939125557.db2.gz JODNHVUJTPNVQS-KRWDZBQOSA-N 2 0 367.541 3.657 20 0 FHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cccnc4CC3)CC2)c1 ZINC000421823188 939127171 /nfs/dbraw/zinc/12/71/71/939127171.db2.gz CJIWEHLZGVUNBL-LJQANCHMSA-N 2 0 355.551 3.892 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000519224112 945230891 /nfs/dbraw/zinc/23/08/91/945230891.db2.gz OIYULXYFEMWVEK-IBGZPJMESA-N 2 0 359.558 3.872 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225168 945232032 /nfs/dbraw/zinc/23/20/32/945232032.db2.gz WULDRDIGNRKCMV-QUCCMNQESA-N 2 0 351.579 3.610 20 0 FHADRP COc1c(O)cccc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472372458 939173758 /nfs/dbraw/zinc/17/37/58/939173758.db2.gz XPHJXNIVPPSAFH-PMACEKPBSA-N 2 0 354.494 3.573 20 0 FHADRP Cc1ccc(OCc2nc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cs2)cc1 ZINC000415008577 945232954 /nfs/dbraw/zinc/23/29/54/945232954.db2.gz MVWNZHYHGWHKGS-RBUKOAKNSA-N 2 0 357.523 3.508 20 0 FHADRP c1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414970210 945246525 /nfs/dbraw/zinc/24/65/25/945246525.db2.gz KEESQQQQIBFPDT-FQEVSTJZSA-N 2 0 361.493 3.556 20 0 FHADRP O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000427278997 945247933 /nfs/dbraw/zinc/24/79/33/945247933.db2.gz BBNRPBXJUGVXKA-MRXNPFEDSA-N 2 0 352.482 3.605 20 0 FHADRP Nc1cccc(C[NH+]2CCCC3(CCC[N@@H+](Cc4cccc(N)c4)C3)C2)c1 ZINC000660566785 945249614 /nfs/dbraw/zinc/24/96/14/945249614.db2.gz RRFSJUFSMGSDHV-UHFFFAOYSA-N 2 0 364.537 3.729 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000507442047 945252521 /nfs/dbraw/zinc/25/25/21/945252521.db2.gz JUEDRQYQBIEZDQ-UHFFFAOYSA-N 2 0 367.940 3.765 20 0 FHADRP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507472096 945257462 /nfs/dbraw/zinc/25/74/62/945257462.db2.gz QHTAFLSTIOHJJF-GVDBMIGSSA-N 2 0 358.473 3.782 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000507476584 945262225 /nfs/dbraw/zinc/26/22/25/945262225.db2.gz KBWLHRHYKSFTJD-MRXNPFEDSA-N 2 0 367.331 3.984 20 0 FHADRP CCC(CC)(CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000427315763 945265636 /nfs/dbraw/zinc/26/56/36/945265636.db2.gz PEHPZPJAGFEWSY-MOPGFXCFSA-N 2 0 359.558 3.792 20 0 FHADRP COc1cc2c(cc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)O[C@H](C)C2 ZINC000518267608 945271257 /nfs/dbraw/zinc/27/12/57/945271257.db2.gz NILCKVYUUOQGQS-FGTMMUONSA-N 2 0 360.542 3.866 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000511850526 945273879 /nfs/dbraw/zinc/27/38/79/945273879.db2.gz RJBSQJWLRUEFSD-SFHVURJKSA-N 2 0 357.542 3.523 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000507503539 945285105 /nfs/dbraw/zinc/28/51/05/945285105.db2.gz AFYSRLXOEQZOPW-DENIHFKCSA-N 2 0 366.553 3.673 20 0 FHADRP CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000177197713 940013131 /nfs/dbraw/zinc/01/31/31/940013131.db2.gz BVXZWCZPYBDVRV-UHFFFAOYSA-N 2 0 373.541 3.772 20 0 FHADRP CC(C)C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH2+][C@H](C)c1ccccc1 ZINC000570088926 940131685 /nfs/dbraw/zinc/13/16/85/940131685.db2.gz SCURJDWEENMWLA-DYESRHJHSA-N 2 0 353.510 3.641 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000511363893 940220936 /nfs/dbraw/zinc/22/09/36/940220936.db2.gz ZYVWDNVUCAPWSR-MRXNPFEDSA-N 2 0 373.928 3.518 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000177484113 940228473 /nfs/dbraw/zinc/22/84/73/940228473.db2.gz UUGQCUMIUPZPNP-AEFFLSMTSA-N 2 0 353.551 3.627 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548973773 940390545 /nfs/dbraw/zinc/39/05/45/940390545.db2.gz HBHVXLHPZJOQDF-IBGZPJMESA-N 2 0 357.542 3.524 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000376164788 940397905 /nfs/dbraw/zinc/39/79/05/940397905.db2.gz WTZLAVBFTYCEDU-SAWYMBPVSA-N 2 0 351.494 3.989 20 0 FHADRP CC[NH+](CC)CCSCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000511416883 940425414 /nfs/dbraw/zinc/42/54/14/940425414.db2.gz UTJSZZHVZSOACS-UHFFFAOYSA-N 2 0 363.571 3.672 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431752233 940470905 /nfs/dbraw/zinc/47/09/05/940470905.db2.gz RRLDPMFEMKKXBC-JOCHJYFZSA-N 2 0 371.569 3.940 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414063966 940472535 /nfs/dbraw/zinc/47/25/35/940472535.db2.gz DHOCVIMZDXBMNG-SLYNCCJLSA-N 2 0 363.977 3.839 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000431783664 940498161 /nfs/dbraw/zinc/49/81/61/940498161.db2.gz UTIHMZVRCKSDHS-OALUTQOASA-N 2 0 361.530 3.576 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000511475047 940506336 /nfs/dbraw/zinc/50/63/36/940506336.db2.gz SWPZATNWAHNBTK-UHFFFAOYSA-N 2 0 353.510 3.824 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414104354 940508788 /nfs/dbraw/zinc/50/87/88/940508788.db2.gz FOYCMMIPQPVAMS-NQIIRXRSSA-N 2 0 368.521 3.811 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000414112711 940598085 /nfs/dbraw/zinc/59/80/85/940598085.db2.gz MZGOQADRJHHMRV-LJQANCHMSA-N 2 0 359.558 3.605 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414178045 940717273 /nfs/dbraw/zinc/71/72/73/940717273.db2.gz KBILSPPXQHBPSO-MSOLQXFVSA-N 2 0 360.546 3.943 20 0 FHADRP Clc1ccccc1C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCO1 ZINC000414194872 940742362 /nfs/dbraw/zinc/74/23/62/940742362.db2.gz WCFLRZBOQYQAIA-UXHICEINSA-N 2 0 355.869 3.868 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414297130 940913683 /nfs/dbraw/zinc/91/36/83/940913683.db2.gz SAYVTWKJPMPFHV-RDABAPPSSA-N 2 0 370.512 3.934 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000414301048 940916735 /nfs/dbraw/zinc/91/67/35/940916735.db2.gz VLDXGJCHZQMILX-NQSCKRDGSA-N 2 0 356.485 3.544 20 0 FHADRP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC000414302388 940926333 /nfs/dbraw/zinc/92/63/33/940926333.db2.gz KSEOOYYZNZNRNH-QFIPXVFZSA-N 2 0 368.521 3.763 20 0 FHADRP CC(C)C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000414310957 940941814 /nfs/dbraw/zinc/94/18/14/940941814.db2.gz ULDRCUKPVJHTFS-QFIPXVFZSA-N 2 0 367.537 3.786 20 0 FHADRP OC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414313306 940946075 /nfs/dbraw/zinc/94/60/75/940946075.db2.gz YCYXUEYZWYWAIX-JOCHJYFZSA-N 2 0 365.521 3.540 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000414313918 940947529 /nfs/dbraw/zinc/94/75/29/940947529.db2.gz YZOKMTKBVVZSAF-LJQANCHMSA-N 2 0 368.521 3.681 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000414312446 940949297 /nfs/dbraw/zinc/94/92/97/940949297.db2.gz WJLMYOLSSRYVMK-UXHICEINSA-N 2 0 352.522 3.795 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134310773 941005467 /nfs/dbraw/zinc/00/54/67/941005467.db2.gz LHRLPILCHBKPSX-KRWDZBQOSA-N 2 0 356.341 3.596 20 0 FHADRP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(C)(C)C ZINC000414346545 941016912 /nfs/dbraw/zinc/01/69/12/941016912.db2.gz VLCBKRUGEZPSLF-FQEVSTJZSA-N 2 0 359.558 3.688 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698715 941029651 /nfs/dbraw/zinc/02/96/51/941029651.db2.gz BQKMVKPCKHUTTB-RBBKRZOGSA-N 2 0 367.537 3.783 20 0 FHADRP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889396 941067675 /nfs/dbraw/zinc/06/76/75/941067675.db2.gz HHDDZJSLHWRFIZ-FQEVSTJZSA-N 2 0 371.569 3.588 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCCCC2)cc1OC ZINC000647548462 941070436 /nfs/dbraw/zinc/07/04/36/941070436.db2.gz BLPZZUIFRKOZIS-CMKODMSKSA-N 2 0 372.553 3.883 20 0 FHADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000647549112 941070755 /nfs/dbraw/zinc/07/07/55/941070755.db2.gz IUVXWUKTPGPNSF-HDMKZQKVSA-N 2 0 363.343 3.849 20 0 FHADRP COc1cccc2c1OC[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3C)CC1)C2 ZINC000164572189 941123772 /nfs/dbraw/zinc/12/37/72/941123772.db2.gz DSBDLLGEBRCFJI-AHRSYUTCSA-N 2 0 358.526 3.631 20 0 FHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000164569841 941123796 /nfs/dbraw/zinc/12/37/96/941123796.db2.gz HFVKGCJBRYQSBA-QXAKKESOSA-N 2 0 365.562 3.629 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000311300386 941226045 /nfs/dbraw/zinc/22/60/45/941226045.db2.gz HINLEXOHJFBEHT-SJLPKXTDSA-N 2 0 365.562 3.629 20 0 FHADRP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000311479458 941305969 /nfs/dbraw/zinc/30/59/69/941305969.db2.gz HHVPXWOZGGJFLS-UWJYYQICSA-N 2 0 360.448 3.500 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781893 941321769 /nfs/dbraw/zinc/32/17/69/941321769.db2.gz HYVGBOZNIOPYES-HARLFGEKSA-N 2 0 350.506 3.801 20 0 FHADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1F ZINC000180112155 941352342 /nfs/dbraw/zinc/35/23/42/941352342.db2.gz MFBKMTLBIIINQM-SOUXKNCUSA-N 2 0 354.469 3.644 20 0 FHADRP c1cncc(CN2CCC[C@@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673509 941377100 /nfs/dbraw/zinc/37/71/00/941377100.db2.gz RBGKEJAWNVASDD-UGKGYDQZSA-N 2 0 350.510 3.820 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000376861192 941453784 /nfs/dbraw/zinc/45/37/84/941453784.db2.gz RNQRZVJWNAPHQV-DDBAPUKQSA-N 2 0 356.432 3.597 20 0 FHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000549142706 941522516 /nfs/dbraw/zinc/52/25/16/941522516.db2.gz XOLCAYVUANCKCH-LEWJYISDSA-N 2 0 358.526 3.880 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000415017267 941543310 /nfs/dbraw/zinc/54/33/10/941543310.db2.gz RWLPBWVODGXDJB-SFHVURJKSA-N 2 0 363.509 3.601 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022638 941546759 /nfs/dbraw/zinc/54/67/59/941546759.db2.gz JEQOYLURQOXKST-BZUAXINKSA-N 2 0 351.922 3.720 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000415040754 941560973 /nfs/dbraw/zinc/56/09/73/941560973.db2.gz PIEFNBCNHWBRNE-GXSJLCMTSA-N 2 0 367.209 3.565 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415040685 941560980 /nfs/dbraw/zinc/56/09/80/941560980.db2.gz PCPZBEVNHBFWMH-MAUKXSAKSA-N 2 0 356.514 3.531 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056575 941576250 /nfs/dbraw/zinc/57/62/50/941576250.db2.gz SKNQGOMKDQCUDS-TZIWHRDSSA-N 2 0 350.510 3.814 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689947 941577106 /nfs/dbraw/zinc/57/71/06/941577106.db2.gz UMOFWLAYXZEVLI-PKOBYXMFSA-N 2 0 372.488 3.930 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000472691843 941584351 /nfs/dbraw/zinc/58/43/51/941584351.db2.gz QKFUNGKXRAAFRD-LJQANCHMSA-N 2 0 353.514 3.526 20 0 FHADRP Clc1ccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000415075170 941586768 /nfs/dbraw/zinc/58/67/68/941586768.db2.gz BFASVSGVLVZVOC-HNNXBMFYSA-N 2 0 356.341 3.547 20 0 FHADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000415074258 941589662 /nfs/dbraw/zinc/58/96/62/941589662.db2.gz CDMDJNRGGSWQAH-PXNSSMCTSA-N 2 0 361.493 3.555 20 0 FHADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000415085948 941595852 /nfs/dbraw/zinc/59/58/52/941595852.db2.gz UAWBGDLYMZWLHV-MNOVXSKESA-N 2 0 363.246 3.528 20 0 FHADRP COc1cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1OCc1ccncc1 ZINC000415088050 941597226 /nfs/dbraw/zinc/59/72/26/941597226.db2.gz LNJVLPXSWRDCIF-MNNVXMFVSA-N 2 0 355.482 3.590 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1OCc1ccncc1 ZINC000415092014 941601611 /nfs/dbraw/zinc/60/16/11/941601611.db2.gz RUJCBWFAYPPYDX-ZWOKBUDYSA-N 2 0 369.509 3.850 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000415098915 941602639 /nfs/dbraw/zinc/60/26/39/941602639.db2.gz GDAAYVXPNHNKBL-FGTMMUONSA-N 2 0 363.343 3.991 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000415117721 941614128 /nfs/dbraw/zinc/61/41/28/941614128.db2.gz ZYPAJMCOKOVDEF-DLBZAZTESA-N 2 0 360.395 3.563 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415119578 941614547 /nfs/dbraw/zinc/61/45/47/941614547.db2.gz FRRMDMQTQOLWBM-ROUUACIJSA-N 2 0 356.432 3.732 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120392 941616319 /nfs/dbraw/zinc/61/63/19/941616319.db2.gz FWNJRNGLKSXXTP-PZJWPPBQSA-N 2 0 358.457 3.804 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415120367 941616384 /nfs/dbraw/zinc/61/63/84/941616384.db2.gz GSPBJNPAQFRRHI-XMSQKQJNSA-N 2 0 354.494 3.567 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415131345 941624118 /nfs/dbraw/zinc/62/41/18/941624118.db2.gz ZBBSVLYYCVFHSS-IRLDBZIGSA-N 2 0 360.542 3.830 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCCCCC2)CC1 ZINC000549194352 941624147 /nfs/dbraw/zinc/62/41/47/941624147.db2.gz KAMPEDKIDBTIJH-UHFFFAOYSA-N 2 0 371.569 3.730 20 0 FHADRP NC1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415135780 941625933 /nfs/dbraw/zinc/62/59/33/941625933.db2.gz QPDKQPZIJXICIU-UHFFFAOYSA-N 2 0 361.892 3.562 20 0 FHADRP NC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140394 941627332 /nfs/dbraw/zinc/62/73/32/941627332.db2.gz ZCHXUOXKTZBYDV-UHFFFAOYSA-N 2 0 361.892 3.562 20 0 FHADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CCCC[NH+]1C ZINC000472736292 941655103 /nfs/dbraw/zinc/65/51/03/941655103.db2.gz IKZQGQVJEHKPQW-FQEVSTJZSA-N 2 0 358.505 3.955 20 0 FHADRP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000729330073 941718330 /nfs/dbraw/zinc/71/83/30/941718330.db2.gz ICAZSSCAGLIUAL-UNMCSNQZSA-N 2 0 371.569 3.937 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])c2)CC1 ZINC000415390379 941794636 /nfs/dbraw/zinc/79/46/36/941794636.db2.gz KERJKPVZCLQDPO-WIYYLYMNSA-N 2 0 372.557 3.552 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000509916212 941804383 /nfs/dbraw/zinc/80/43/83/941804383.db2.gz WGHAFIQIXDPPQO-MRXNPFEDSA-N 2 0 362.468 3.670 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000513330368 941856317 /nfs/dbraw/zinc/85/63/17/941856317.db2.gz KUUSQMMIWZUHLN-AEFFLSMTSA-N 2 0 350.576 3.602 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4C)o3)C2)CC1 ZINC000093132982 941871456 /nfs/dbraw/zinc/87/14/56/941871456.db2.gz BIWYSNHQYCSTLN-LJQANCHMSA-N 2 0 371.500 3.606 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)C[C@@H](C)O1 ZINC000467194837 941898653 /nfs/dbraw/zinc/89/86/53/941898653.db2.gz DNGFAORTFVQYCZ-SFHLNBCPSA-N 2 0 364.574 3.690 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543933 942004584 /nfs/dbraw/zinc/00/45/84/942004584.db2.gz BCIIBOSDGFFBEP-QUCCMNQESA-N 2 0 362.521 3.964 20 0 FHADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3ccccc3)s2)CC1 ZINC000513578001 942021919 /nfs/dbraw/zinc/02/19/19/942021919.db2.gz NDPMJETYKWLFNJ-KRWDZBQOSA-N 2 0 358.551 3.940 20 0 FHADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc(C)c1O ZINC000513612993 942038521 /nfs/dbraw/zinc/03/85/21/942038521.db2.gz KYPLBNXRTQLVTA-RTBURBONSA-N 2 0 368.521 3.908 20 0 FHADRP CC1CC[NH+](CCC[NH2+]Cc2ccc(I)cc2)CC1 ZINC000311494894 942038686 /nfs/dbraw/zinc/03/86/86/942038686.db2.gz WZYXQKGRLQNOAV-UHFFFAOYSA-N 2 0 372.294 3.503 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1 ZINC000513613810 942039403 /nfs/dbraw/zinc/03/94/03/942039403.db2.gz TYEDHONAXFMXBJ-UHFFFAOYSA-N 2 0 371.500 3.659 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000513636749 942049396 /nfs/dbraw/zinc/04/93/96/942049396.db2.gz DSEPENLEELUKQV-UHFFFAOYSA-N 2 0 359.558 3.722 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@H]2CCC[C@H]21 ZINC000513656724 942059474 /nfs/dbraw/zinc/05/94/74/942059474.db2.gz WVLBEKCVTXJXKA-XOKHGSTOSA-N 2 0 355.295 3.593 20 0 FHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893114141 942063167 /nfs/dbraw/zinc/06/31/67/942063167.db2.gz RXVMNHCBVYRMRB-JWWCTGECSA-N 2 0 364.480 3.568 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415881230 942105796 /nfs/dbraw/zinc/10/57/96/942105796.db2.gz HUEFLNJCWWMZQO-OAQYLSRUSA-N 2 0 366.509 3.537 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415883817 942109650 /nfs/dbraw/zinc/10/96/50/942109650.db2.gz OIXBENSWENESDL-MRXNPFEDSA-N 2 0 366.509 3.583 20 0 FHADRP COC(=O)C[C@@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1C ZINC000280130602 942116810 /nfs/dbraw/zinc/11/68/10/942116810.db2.gz DCVRJHARVSSGFV-LLGFUMIMSA-N 2 0 373.541 3.607 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000415904303 942130620 /nfs/dbraw/zinc/13/06/20/942130620.db2.gz ALTXZKAXUYZDTA-OAQYLSRUSA-N 2 0 366.509 3.755 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000415914202 942137042 /nfs/dbraw/zinc/13/70/42/942137042.db2.gz VFUINFIWNMNELZ-GOSISDBHSA-N 2 0 372.557 3.914 20 0 FHADRP CCN(C(=O)Nc1ccccc1C[NH2+]C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415917386 942141466 /nfs/dbraw/zinc/14/14/66/942141466.db2.gz DDCOFBHGPPUUHT-FQEVSTJZSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415926938 942163976 /nfs/dbraw/zinc/16/39/76/942163976.db2.gz BZLXYIHMUIUMAK-MSOLQXFVSA-N 2 0 366.509 3.533 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000415931349 942166546 /nfs/dbraw/zinc/16/65/46/942166546.db2.gz KVNQUWWCJASRAF-NRFANRHFSA-N 2 0 366.509 3.755 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000415938880 942170221 /nfs/dbraw/zinc/17/02/21/942170221.db2.gz BJIVUGYQVSBTSJ-UHFFFAOYSA-N 2 0 358.530 3.715 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000415953326 942193382 /nfs/dbraw/zinc/19/33/82/942193382.db2.gz LDFRQDRDEABOSU-SFHVURJKSA-N 2 0 368.525 3.828 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000415979940 942224075 /nfs/dbraw/zinc/22/40/75/942224075.db2.gz FJXDSWFQUZBMAA-JXFKEZNVSA-N 2 0 354.498 3.527 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000415974831 942227097 /nfs/dbraw/zinc/22/70/97/942227097.db2.gz RNJUFRVALBUPCC-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000415987745 942229941 /nfs/dbraw/zinc/22/99/41/942229941.db2.gz YGIUQGNXTAFBFO-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988764 942230628 /nfs/dbraw/zinc/23/06/28/942230628.db2.gz DIFLLVHMEIPVTM-UHFFFAOYSA-N 2 0 366.509 3.666 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000415993582 942238646 /nfs/dbraw/zinc/23/86/46/942238646.db2.gz UBLAOUYXJNZXJY-HXUWFJFHSA-N 2 0 354.498 3.611 20 0 FHADRP COCC[N@H+](Cc1ccc(CN2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000420906542 942248269 /nfs/dbraw/zinc/24/82/69/942248269.db2.gz SMDJIAJTVIFEDE-HXUWFJFHSA-N 2 0 368.521 3.728 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415999230 942249926 /nfs/dbraw/zinc/24/99/26/942249926.db2.gz VADKAPKKYSCVCU-QGZVFWFLSA-N 2 0 370.541 3.798 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000500993951 942251383 /nfs/dbraw/zinc/25/13/83/942251383.db2.gz RZFOEKAWOPCSAV-UHFFFAOYSA-N 2 0 370.368 3.988 20 0 FHADRP CC(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCc2cccnc21 ZINC000501054190 942280475 /nfs/dbraw/zinc/28/04/75/942280475.db2.gz WWGAIJZEVLPVRR-JOCHJYFZSA-N 2 0 372.601 3.833 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccc4ccccc4c3)CC2)CC1 ZINC000420982002 942280930 /nfs/dbraw/zinc/28/09/30/942280930.db2.gz NZJONYCMMGTPKU-UHFFFAOYSA-N 2 0 365.565 3.874 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000420978702 942288864 /nfs/dbraw/zinc/28/88/64/942288864.db2.gz JPKVGEUDSVSGSO-UHFFFAOYSA-N 2 0 351.485 3.616 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180131313 942327136 /nfs/dbraw/zinc/32/71/36/942327136.db2.gz HXEZSAOLEQBUQJ-VIQWUECVSA-N 2 0 367.578 3.924 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000501154889 942328497 /nfs/dbraw/zinc/32/84/97/942328497.db2.gz QYKZJJOPJMXIRQ-HDICACEKSA-N 2 0 354.604 3.874 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000502285300 942333052 /nfs/dbraw/zinc/33/30/52/942333052.db2.gz IQOCUBSUVMTTPS-QGZVFWFLSA-N 2 0 360.542 3.940 20 0 FHADRP [NH3+]CCCCCCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378203385 942393142 /nfs/dbraw/zinc/39/31/42/942393142.db2.gz QDNGSWAFAISLPS-NHCUHLMSSA-N 2 0 357.542 3.551 20 0 FHADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502430223 942428151 /nfs/dbraw/zinc/42/81/51/942428151.db2.gz KKADHZQWJVLRBI-LMVRJCEZSA-N 2 0 360.542 3.591 20 0 FHADRP C[NH+](C)[C@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000416180418 942444974 /nfs/dbraw/zinc/44/49/74/942444974.db2.gz PEIMNPLDJAVYOQ-JOCHJYFZSA-N 2 0 371.569 3.794 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414825332 942453028 /nfs/dbraw/zinc/45/30/28/942453028.db2.gz HGKYLEGANWJVNG-FQEVSTJZSA-N 2 0 354.494 3.754 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)c1 ZINC000414828214 942467578 /nfs/dbraw/zinc/46/75/78/942467578.db2.gz LSVCPMDIDGPCPT-JWTNVVGKSA-N 2 0 368.477 3.869 20 0 FHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000502477053 942473414 /nfs/dbraw/zinc/47/34/14/942473414.db2.gz ZTKLLWSMURGXPN-GOSISDBHSA-N 2 0 367.459 3.880 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000501467445 942489245 /nfs/dbraw/zinc/48/92/45/942489245.db2.gz OKKJESJAYGIVKX-JQIJEIRASA-N 2 0 369.475 3.724 20 0 FHADRP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)o2)cc1 ZINC000421367197 942518631 /nfs/dbraw/zinc/51/86/31/942518631.db2.gz DETBJTYNOVUQJJ-UHFFFAOYSA-N 2 0 356.466 3.696 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000421380366 942530082 /nfs/dbraw/zinc/53/00/82/942530082.db2.gz VMCFZTKDJNCTHB-UHFFFAOYSA-N 2 0 366.431 3.854 20 0 FHADRP O=C(Nc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000414839887 942552793 /nfs/dbraw/zinc/55/27/93/942552793.db2.gz WSKCYCKRAZMSBG-OAHLLOKOSA-N 2 0 357.885 3.682 20 0 FHADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420301808 942611763 /nfs/dbraw/zinc/61/17/63/942611763.db2.gz AZPUBNFRYBIPJA-WIYYLYMNSA-N 2 0 351.494 3.736 20 0 FHADRP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420319509 942620262 /nfs/dbraw/zinc/62/02/62/942620262.db2.gz AIGLDFZKTPFPDQ-SFTDATJTSA-N 2 0 363.505 3.760 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000420319927 942621295 /nfs/dbraw/zinc/62/12/95/942621295.db2.gz AZYXVFYOCFTXEV-KDOFPFPSSA-N 2 0 350.915 3.883 20 0 FHADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1-c1ccccc1 ZINC000420332116 942631404 /nfs/dbraw/zinc/63/14/04/942631404.db2.gz CQDHYDABSWVUTL-OAQYLSRUSA-N 2 0 363.505 3.756 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000420370124 942643667 /nfs/dbraw/zinc/64/36/67/942643667.db2.gz CFGNRJVTWHWKLL-WMZOPIPTSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378293 942646336 /nfs/dbraw/zinc/64/63/36/942646336.db2.gz LZCCMUIPEYCLMB-XWIAVFTESA-N 2 0 367.331 3.728 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377981 942646354 /nfs/dbraw/zinc/64/63/54/942646354.db2.gz AUYQRAZDUVQXGK-XJKSGUPXSA-N 2 0 370.324 3.786 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420420706 942658282 /nfs/dbraw/zinc/65/82/82/942658282.db2.gz YHVNLUABSVVFOH-MDASCCDHSA-N 2 0 353.913 3.594 20 0 FHADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc2c3c(c1)CCCN3CCC2 ZINC001167945944 942662113 /nfs/dbraw/zinc/66/21/13/942662113.db2.gz WGEQRGHLOXSOCR-IBGZPJMESA-N 2 0 373.541 3.637 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405574 942662726 /nfs/dbraw/zinc/66/27/26/942662726.db2.gz TYOAIQHPKYIMKS-UNMCSNQZSA-N 2 0 363.505 3.903 20 0 FHADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420403507 942662766 /nfs/dbraw/zinc/66/27/66/942662766.db2.gz LAGJBEOQAJNBDW-PKOBYXMFSA-N 2 0 351.494 3.599 20 0 FHADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C[NH3+] ZINC000420407710 942664180 /nfs/dbraw/zinc/66/41/80/942664180.db2.gz OOCOKSFWDAXBOQ-QZTJIDSGSA-N 2 0 367.493 3.724 20 0 FHADRP CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)[C@H]1CCCc2ccccc21 ZINC000501794914 942681740 /nfs/dbraw/zinc/68/17/40/942681740.db2.gz YCMRALWXOBLDSX-QFIPXVFZSA-N 2 0 371.569 3.576 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414541232 942728111 /nfs/dbraw/zinc/72/81/11/942728111.db2.gz CFVSRGDPJHEYIV-JOCHJYFZSA-N 2 0 374.488 3.929 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000514094549 942744169 /nfs/dbraw/zinc/74/41/69/942744169.db2.gz KRRHJTRTRGQRRZ-PZJWPPBQSA-N 2 0 352.563 3.896 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000514106550 942749855 /nfs/dbraw/zinc/74/98/55/942749855.db2.gz ZHXBUKOVJFUMOR-QGZVFWFLSA-N 2 0 372.509 3.803 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2c(C)nn(C)c2C)ccc1OC ZINC000182719914 942779542 /nfs/dbraw/zinc/77/95/42/942779542.db2.gz AQEJEUMLSQKBPJ-HNNXBMFYSA-N 2 0 358.530 3.738 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000182769320 942785477 /nfs/dbraw/zinc/78/54/77/942785477.db2.gz BZGWEXZPKRKESK-HXUWFJFHSA-N 2 0 354.485 3.832 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000502845990 942793271 /nfs/dbraw/zinc/79/32/71/942793271.db2.gz NGLJBMBCGFRPRO-NRFANRHFSA-N 2 0 357.542 3.619 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1C[NH+]1CCCCC1 ZINC000378512194 942846256 /nfs/dbraw/zinc/84/62/56/942846256.db2.gz JVFDUYQVRZHCPC-JXFKEZNVSA-N 2 0 368.525 3.612 20 0 FHADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1C[NH+]1CCCCC1 ZINC000378512199 942846267 /nfs/dbraw/zinc/84/62/67/942846267.db2.gz JVFDUYQVRZHCPC-OXQOHEQNSA-N 2 0 368.525 3.612 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000421890662 942867437 /nfs/dbraw/zinc/86/74/37/942867437.db2.gz YCQDJNUZSPUILQ-ZYKFHVCXSA-N 2 0 350.934 3.893 20 0 FHADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000502956558 942875058 /nfs/dbraw/zinc/87/50/58/942875058.db2.gz LYTROXSPTKSJNE-OAQYLSRUSA-N 2 0 365.606 3.859 20 0 FHADRP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000502960367 942877566 /nfs/dbraw/zinc/87/75/66/942877566.db2.gz NVSKEYHKQAPBPM-FHWLQOOXSA-N 2 0 374.573 3.678 20 0 FHADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000647925790 942899354 /nfs/dbraw/zinc/89/93/54/942899354.db2.gz XUJGGEOZQFNAFO-UHFFFAOYSA-N 2 0 353.466 3.621 20 0 FHADRP CCN1CCC[C@@H](C[N@H+](C)[C@@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730232 942899300 /nfs/dbraw/zinc/89/93/00/942899300.db2.gz YMAISNGMVRFDRW-LQBOVUBWSA-N 2 0 370.541 3.895 20 0 FHADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000511563926 942910460 /nfs/dbraw/zinc/91/04/60/942910460.db2.gz CXKNZKPGRGWRFT-UHFFFAOYSA-N 2 0 357.542 3.667 20 0 FHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503048266 942939377 /nfs/dbraw/zinc/93/93/77/942939377.db2.gz BBIOIQJZFNXPJA-QYZOEREBSA-N 2 0 374.573 3.535 20 0 FHADRP Cc1nc(C(F)(F)F)c(C[N@@H+](C)C2CCN(c3ccccn3)CC2)s1 ZINC000363888022 942968768 /nfs/dbraw/zinc/96/87/68/942968768.db2.gz OWYYXQGBCJMGLB-UHFFFAOYSA-N 2 0 370.444 3.966 20 0 FHADRP C[NH2+][C@H](C)Cc1noc(-c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000414652383 943104338 /nfs/dbraw/zinc/10/43/38/943104338.db2.gz WLJYCXBHBCETFX-MRXNPFEDSA-N 2 0 350.466 3.519 20 0 FHADRP C[NH+](C)[C@H]1CCOc2c(NC3CC[NH+](Cc4cccnc4)CC3)cccc21 ZINC000435031818 943114970 /nfs/dbraw/zinc/11/49/70/943114970.db2.gz CLWOWQIYISETDA-NRFANRHFSA-N 2 0 366.509 3.543 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000503316902 943121054 /nfs/dbraw/zinc/12/10/54/943121054.db2.gz RUHRPTHTMVFYQU-NRFANRHFSA-N 2 0 365.606 3.858 20 0 FHADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414865686 943143277 /nfs/dbraw/zinc/14/32/77/943143277.db2.gz ZMTGZZJKWHTMOA-PXNSSMCTSA-N 2 0 354.494 3.752 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000414662140 943143724 /nfs/dbraw/zinc/14/37/24/943143724.db2.gz YSHFABBKLJOGND-UHFFFAOYSA-N 2 0 352.507 3.772 20 0 FHADRP C[NH+]1CCN(c2cc[nH+]cc2NCC2CCC(C(F)(F)F)CC2)CC1 ZINC000545928571 943159535 /nfs/dbraw/zinc/15/95/35/943159535.db2.gz UTYXQPBCKGSMEV-UHFFFAOYSA-N 2 0 356.436 3.614 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)c1 ZINC000272523785 943171192 /nfs/dbraw/zinc/17/11/92/943171192.db2.gz IFZHWOVMBWDDAJ-OAHLLOKOSA-N 2 0 351.922 3.687 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000414671294 943195496 /nfs/dbraw/zinc/19/54/96/943195496.db2.gz MHQXEXLXZUAAPL-INIZCTEOSA-N 2 0 353.514 3.619 20 0 FHADRP C[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000282837761 943204580 /nfs/dbraw/zinc/20/45/80/943204580.db2.gz ZUPIRRRHWHTFBW-QGZVFWFLSA-N 2 0 369.475 3.522 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733777 943211884 /nfs/dbraw/zinc/21/18/84/943211884.db2.gz JHUWWUBRWTZTHQ-VXKWHMMOSA-N 2 0 354.469 3.633 20 0 FHADRP FC(F)(F)c1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422707002 943240891 /nfs/dbraw/zinc/24/08/91/943240891.db2.gz GKOVSCJKCCPGDU-DFNIBXOVSA-N 2 0 367.459 3.542 20 0 FHADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422735859 943251742 /nfs/dbraw/zinc/25/17/42/943251742.db2.gz FJVKPBNVSJWUQJ-IIBYNOLFSA-N 2 0 371.550 3.829 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1)c1ccco1 ZINC000422718154 943255874 /nfs/dbraw/zinc/25/58/74/943255874.db2.gz PFJQJJPQQWFRFN-VAMGGRTRSA-N 2 0 367.493 3.932 20 0 FHADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757795 943262583 /nfs/dbraw/zinc/26/25/83/943262583.db2.gz IYZXRTXOKMVNOL-WLWJZTKJSA-N 2 0 369.475 3.818 20 0 FHADRP c1ccc(C(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422758673 943262929 /nfs/dbraw/zinc/26/29/29/943262929.db2.gz OESBWLIDBOPVGU-RJGXRXQPSA-N 2 0 350.506 3.565 20 0 FHADRP CC1CC[NH+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431913276 943264109 /nfs/dbraw/zinc/26/41/09/943264109.db2.gz LXAPRXYMYIVDPU-JOCHJYFZSA-N 2 0 371.569 3.799 20 0 FHADRP Cc1ccccc1OCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741537 943267233 /nfs/dbraw/zinc/26/72/33/943267233.db2.gz OSJMFKPMCOJNOO-UGKGYDQZSA-N 2 0 352.478 3.609 20 0 FHADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422744047 943267715 /nfs/dbraw/zinc/26/77/15/943267715.db2.gz JRAUGNUAQDXQPF-ZDFPQIBNSA-N 2 0 371.569 3.733 20 0 FHADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422744045 943268154 /nfs/dbraw/zinc/26/81/54/943268154.db2.gz JRAUGNUAQDXQPF-PDGJWGCVSA-N 2 0 371.569 3.733 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422744430 943269590 /nfs/dbraw/zinc/26/95/90/943269590.db2.gz SWKSAQVZRJRJAE-AXAPSJFSSA-N 2 0 355.345 3.964 20 0 FHADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1OC ZINC000422756515 943274692 /nfs/dbraw/zinc/27/46/92/943274692.db2.gz LPBWLVTYVKQTCZ-VAMGGRTRSA-N 2 0 360.542 3.927 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000422771914 943277562 /nfs/dbraw/zinc/27/75/62/943277562.db2.gz WHMCIEWAFWIART-RZUBCFFCSA-N 2 0 373.585 3.787 20 0 FHADRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1OCc1ccccc1 ZINC000422771370 943277579 /nfs/dbraw/zinc/27/75/79/943277579.db2.gz REBZIKLMKRRPFD-UHFFFAOYSA-N 2 0 354.494 3.881 20 0 FHADRP c1ccc2nc(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422776048 943278160 /nfs/dbraw/zinc/27/81/60/943278160.db2.gz CABLRRYQLGCLPB-GMAHTHKFSA-N 2 0 359.473 3.623 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776083 943278414 /nfs/dbraw/zinc/27/84/14/943278414.db2.gz CEKFSGAISUHETL-CHWSQXEVSA-N 2 0 373.324 3.965 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773410 943278656 /nfs/dbraw/zinc/27/86/56/943278656.db2.gz ZTVVBPFSXCYGLS-QAPCUYQASA-N 2 0 370.459 3.731 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422786475 943283084 /nfs/dbraw/zinc/28/30/84/943283084.db2.gz OXVDRRDIPOTICY-HLLQZAQXSA-N 2 0 356.441 3.741 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422766220 943284794 /nfs/dbraw/zinc/28/47/94/943284794.db2.gz RAFDXXYTRACROD-QWHCGFSZSA-N 2 0 373.324 3.965 20 0 FHADRP Cc1ccc(SCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422766185 943285526 /nfs/dbraw/zinc/28/55/26/943285526.db2.gz LNVRSXQRVVFVRC-TZIWHRDSSA-N 2 0 354.519 3.933 20 0 FHADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795078 943285558 /nfs/dbraw/zinc/28/55/58/943285558.db2.gz ZPTKTPBREHUYED-CEWLAPEOSA-N 2 0 372.896 3.873 20 0 FHADRP Cc1ccc(SCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422766177 943285818 /nfs/dbraw/zinc/28/58/18/943285818.db2.gz LNVRSXQRVVFVRC-CTNGQTDRSA-N 2 0 354.519 3.933 20 0 FHADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799298 943287853 /nfs/dbraw/zinc/28/78/53/943287853.db2.gz WBJGIDHIKPCWRP-HZVDNRATSA-N 2 0 368.924 3.531 20 0 FHADRP CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1cccc(OC)c1 ZINC000422800036 943288029 /nfs/dbraw/zinc/28/80/29/943288029.db2.gz ZEYFOIYGEPVSOY-KSFYIVLOSA-N 2 0 370.541 3.591 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810661 943291710 /nfs/dbraw/zinc/29/17/10/943291710.db2.gz UNXLNTRNYDYECB-ZIAGYGMSSA-N 2 0 352.482 3.609 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422811771 943291902 /nfs/dbraw/zinc/29/19/02/943291902.db2.gz WRYLXIWZCMLQKT-SFHVURJKSA-N 3 0 366.553 3.931 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422813098 943292580 /nfs/dbraw/zinc/29/25/80/943292580.db2.gz RLAGHQHQVSHLJY-OWCLPIDISA-N 2 0 354.441 3.697 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000422792563 943294860 /nfs/dbraw/zinc/29/48/60/943294860.db2.gz ZLROJAZPDYXCNN-UZLBHIALSA-N 2 0 362.901 3.782 20 0 FHADRP c1ccc(Oc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422792461 943294965 /nfs/dbraw/zinc/29/49/65/943294965.db2.gz ZHGRBJOBIXQUML-QHAWAJNXSA-N 2 0 352.478 3.726 20 0 FHADRP Fc1ccc2c(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422842297 943296596 /nfs/dbraw/zinc/29/65/96/943296596.db2.gz XZCMVJJORBAXJA-RBBKRZOGSA-N 2 0 365.452 3.695 20 0 FHADRP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422828584 943298014 /nfs/dbraw/zinc/29/80/14/943298014.db2.gz OIPICVJXLXQACQ-JTSKRJEESA-N 2 0 352.526 3.645 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422830657 943298898 /nfs/dbraw/zinc/29/88/98/943298898.db2.gz WAPMBPLCCAPXQT-ZBFHGGJFSA-N 2 0 367.921 3.578 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000422836566 943301224 /nfs/dbraw/zinc/30/12/24/943301224.db2.gz KIUXCFMDMLEAIM-UWVAXJGDSA-N 2 0 352.526 3.552 20 0 FHADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422815425 943302728 /nfs/dbraw/zinc/30/27/28/943302728.db2.gz BOTUDWIQWVRZFE-RCCFBDPRSA-N 2 0 361.496 3.551 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422851259 943305713 /nfs/dbraw/zinc/30/57/13/943305713.db2.gz WSEVDCJUVUXIRL-ZTFGCOKTSA-N 2 0 353.913 3.594 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)cc2)n1 ZINC000422857860 943308048 /nfs/dbraw/zinc/30/80/48/943308048.db2.gz IENQGSDSPWEZAI-KRWDZBQOSA-N 2 0 363.509 3.545 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422860634 943309358 /nfs/dbraw/zinc/30/93/58/943309358.db2.gz ILYQJGXVRQWCIT-BRWVUGGUSA-N 2 0 356.432 3.946 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422869188 943310888 /nfs/dbraw/zinc/31/08/88/943310888.db2.gz WWLXEHWSXUNDRD-BHDDXSALSA-N 2 0 352.526 3.542 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844143 943312362 /nfs/dbraw/zinc/31/23/62/943312362.db2.gz KYFJBPQDARIYLK-YCRPNKLZSA-N 2 0 372.944 3.990 20 0 FHADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514824904 943314040 /nfs/dbraw/zinc/31/40/40/943314040.db2.gz BUDKXTQGPNMAJU-GMAHTHKFSA-N 2 0 374.488 3.526 20 0 FHADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@@H]2CCCO2)c1 ZINC000422878160 943314169 /nfs/dbraw/zinc/31/41/69/943314169.db2.gz SODSIERQXDPIOQ-UZLBHIALSA-N 2 0 369.509 3.566 20 0 FHADRP [NH3+]CC1CCC([NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000422878593 943314377 /nfs/dbraw/zinc/31/43/77/943314377.db2.gz JHNAPLJCYZEODH-FBPXKMNZSA-N 2 0 369.578 3.955 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880443 943314897 /nfs/dbraw/zinc/31/48/97/943314897.db2.gz LWVMFCVGOJSVRW-FGTMMUONSA-N 2 0 352.526 3.823 20 0 FHADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H](C)CCCC[NH3+])c2)cc1 ZINC000422884327 943316489 /nfs/dbraw/zinc/31/64/89/943316489.db2.gz RVFOPVRHDXYERT-SFHVURJKSA-N 2 0 353.510 3.532 20 0 FHADRP c1ccc(-c2cccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422886453 943318182 /nfs/dbraw/zinc/31/81/82/943318182.db2.gz JBLBRLONQFJVSD-XPWALMASSA-N 2 0 350.506 3.643 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000422872712 943321947 /nfs/dbraw/zinc/32/19/47/943321947.db2.gz IJMWVSZFJWQGHX-GBESFXJTSA-N 2 0 350.934 3.655 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(O[C@H]2CCOC2)c1 ZINC000422871532 943322062 /nfs/dbraw/zinc/32/20/62/943322062.db2.gz DAMPBEVDBJUJPO-DOIPELPJSA-N 2 0 358.526 3.563 20 0 FHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422873559 943322629 /nfs/dbraw/zinc/32/26/29/943322629.db2.gz LOUNCDZDVHZGPI-LAUBAEHRSA-N 2 0 374.431 3.942 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873648 943323008 /nfs/dbraw/zinc/32/30/08/943323008.db2.gz AWLLWZATLOGUCF-KGLIPLIRSA-N 2 0 367.497 3.544 20 0 FHADRP COc1ccc([C@@H](Nc2cccc(OCC[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422906673 943327175 /nfs/dbraw/zinc/32/71/75/943327175.db2.gz ACRVKNXTROGWJO-FCHUYYIVSA-N 2 0 369.509 3.541 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422911225 943328320 /nfs/dbraw/zinc/32/83/20/943328320.db2.gz KKJUMUFQEVVDAN-RJGXRXQPSA-N 3 0 371.569 3.562 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422894205 943330923 /nfs/dbraw/zinc/33/09/23/943330923.db2.gz BPEGPGRPDJSFHC-HZPDHXFCSA-N 2 0 358.482 3.713 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCCCO2 ZINC000422926113 943334186 /nfs/dbraw/zinc/33/41/86/943334186.db2.gz CKVDUNDLZWEPJJ-DJIMGWMZSA-N 2 0 350.890 3.512 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(Cl)c1 ZINC000422926063 943334196 /nfs/dbraw/zinc/33/41/96/943334196.db2.gz WCOXVFXUXGKWFM-JJXUHFIVSA-N 2 0 372.896 3.953 20 0 FHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000422935628 943337761 /nfs/dbraw/zinc/33/77/61/943337761.db2.gz LFVXXWDMYCRPJK-IAOVAPTHSA-N 2 0 355.295 3.641 20 0 FHADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CCC[C@@H]4[C@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000422935806 943337812 /nfs/dbraw/zinc/33/78/12/943337812.db2.gz DTXJSROVFIIPBY-KZNAEPCWSA-N 2 0 370.566 3.775 20 0 FHADRP Clc1cccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935751 943337862 /nfs/dbraw/zinc/33/78/62/943337862.db2.gz DNGYXISCDZPICL-UYAOXDASSA-N 2 0 358.869 3.564 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422939157 943338334 /nfs/dbraw/zinc/33/83/34/943338334.db2.gz HVOULLKIWYBTDQ-KBXCAEBGSA-N 2 0 352.400 3.632 20 0 FHADRP FC(F)COc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422936425 943338452 /nfs/dbraw/zinc/33/84/52/943338452.db2.gz BPHOIAFHZOGWRI-WIYYLYMNSA-N 2 0 374.431 3.676 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422919582 943341577 /nfs/dbraw/zinc/34/15/77/943341577.db2.gz KCCWSMBUSHNKCC-UGKGYDQZSA-N 2 0 356.510 3.571 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952916 943348010 /nfs/dbraw/zinc/34/80/10/943348010.db2.gz CPXYVHDBXZGGLA-UIAACRFSSA-N 2 0 358.457 3.768 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422953074 943348141 /nfs/dbraw/zinc/34/81/41/943348141.db2.gz CXHQUVJCKKHDCW-QPXQOZNCSA-N 2 0 367.537 3.666 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953136 943348160 /nfs/dbraw/zinc/34/81/60/943348160.db2.gz DHYMFPFEJFVYCF-OAHLLOKOSA-N 2 0 356.539 3.571 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422953073 943348194 /nfs/dbraw/zinc/34/81/94/943348194.db2.gz CXHQUVJCKKHDCW-ISJRUSPKSA-N 2 0 367.537 3.666 20 0 FHADRP CN(CC(C)(C)C[NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414706782 943350231 /nfs/dbraw/zinc/35/02/31/943350231.db2.gz HISZPROBZFAOTA-UHFFFAOYSA-N 2 0 360.546 3.900 20 0 FHADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422957657 943350257 /nfs/dbraw/zinc/35/02/57/943350257.db2.gz USUWDLWTOORVKU-PCCBWWKXSA-N 2 0 359.583 3.958 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@](C)(C[NH3+])C1)C1CCCCC1 ZINC000414708846 943351529 /nfs/dbraw/zinc/35/15/29/943351529.db2.gz JIXJLNHBKKQPHT-OAQYLSRUSA-N 2 0 358.530 3.654 20 0 FHADRP CCN(CC)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973354 943355293 /nfs/dbraw/zinc/35/52/93/943355293.db2.gz ODNDUMBGBFUGQW-JQVVWYNYSA-N 2 0 369.509 3.508 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000422973519 943355408 /nfs/dbraw/zinc/35/54/08/943355408.db2.gz OYHQSEKKOCLWDK-HNNXBMFYSA-N 2 0 354.498 3.806 20 0 FHADRP C[C@H]1CN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000435374341 943355747 /nfs/dbraw/zinc/35/57/47/943355747.db2.gz QKUBDHFYRVWUAF-IFXJQAMLSA-N 2 0 357.885 3.761 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OCC(F)(F)F ZINC000435374230 943355928 /nfs/dbraw/zinc/35/59/28/943355928.db2.gz WYCXMOZGTJVXQS-MRXNPFEDSA-N 2 0 372.431 3.600 20 0 FHADRP Clc1ccc(COCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996889 943359550 /nfs/dbraw/zinc/35/95/50/943359550.db2.gz AEGOXOPZPMSMRR-CTNGQTDRSA-N 2 0 372.896 3.702 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423003291 943361704 /nfs/dbraw/zinc/36/17/04/943361704.db2.gz HHFBAHLYJCOTLU-YTFSRNRJSA-N 3 0 367.537 3.922 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002977 943362217 /nfs/dbraw/zinc/36/22/17/943362217.db2.gz KKHCOBBPOPUBFI-LQWHRVPQSA-N 3 0 366.553 3.800 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000435368292 943362720 /nfs/dbraw/zinc/36/27/20/943362720.db2.gz AICFPASUFXWGBQ-UHFFFAOYSA-N 2 0 359.539 3.852 20 0 FHADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423008079 943363243 /nfs/dbraw/zinc/36/32/43/943363243.db2.gz ZHLNGQZWTJLAJJ-KZNAEPCWSA-N 2 0 356.432 3.776 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012482 943364250 /nfs/dbraw/zinc/36/42/50/943364250.db2.gz DEIBXOVLVUNLQB-KPOBHBOGSA-N 2 0 360.498 3.819 20 0 FHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435370529 943364637 /nfs/dbraw/zinc/36/46/37/943364637.db2.gz JCRIQGUXNBCQGI-HOCLYGCPSA-N 2 0 357.885 3.761 20 0 FHADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435377062 943366895 /nfs/dbraw/zinc/36/68/95/943366895.db2.gz XRUACZROAVRYEV-IBGZPJMESA-N 2 0 353.510 3.709 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000423021152 943367204 /nfs/dbraw/zinc/36/72/04/943367204.db2.gz DNYBDNLYMQLMNH-FRYIKTPZSA-N 2 0 360.542 3.783 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000423021160 943367216 /nfs/dbraw/zinc/36/72/16/943367216.db2.gz DNYBDNLYMQLMNH-OJAHFUOMSA-N 2 0 360.542 3.783 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435379126 943368220 /nfs/dbraw/zinc/36/82/20/943368220.db2.gz LBTCEFABCXZWSA-PBHICJAKSA-N 2 0 360.933 3.761 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026657 943370769 /nfs/dbraw/zinc/37/07/69/943370769.db2.gz BUBCDJATCLZCGR-MAUKXSAKSA-N 2 0 360.477 3.709 20 0 FHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382152 943371192 /nfs/dbraw/zinc/37/11/92/943371192.db2.gz ZTNMNOZPNSJYKW-RXVVDRJESA-N 2 0 360.505 3.768 20 0 FHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423030791 943371388 /nfs/dbraw/zinc/37/13/88/943371388.db2.gz WHQZASZUVFNDNP-ZJUUUORDSA-N 2 0 369.225 3.562 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CCCCC1 ZINC000423032755 943372588 /nfs/dbraw/zinc/37/25/88/943372588.db2.gz YOCZADHFVOBVCU-TXPKVOOTSA-N 2 0 350.934 3.884 20 0 FHADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387358 943374505 /nfs/dbraw/zinc/37/45/05/943374505.db2.gz ZWIVIXUBVPNAKJ-AZUAARDMSA-N 2 0 353.510 3.837 20 0 FHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423043024 943375224 /nfs/dbraw/zinc/37/52/24/943375224.db2.gz NATSFKHRLYMCRJ-CMCXCUNFSA-N 2 0 358.526 3.816 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423064598 943379532 /nfs/dbraw/zinc/37/95/32/943379532.db2.gz AALNBAIQJGKPMB-CYBMUJFWSA-N 2 0 364.839 3.734 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000423066989 943380593 /nfs/dbraw/zinc/38/05/93/943380593.db2.gz YKVVERQXFXXRRL-VGOFRKELSA-N 2 0 352.526 3.554 20 0 FHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423071840 943382133 /nfs/dbraw/zinc/38/21/33/943382133.db2.gz PBJJLEKOZIRMIP-KNKQGSTJSA-N 2 0 350.462 3.664 20 0 FHADRP Brc1cccc(C[C@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000423054205 943385180 /nfs/dbraw/zinc/38/51/80/943385180.db2.gz UBXQYZZVYLZUKM-MSOLQXFVSA-N 2 0 351.332 3.892 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084190 943388012 /nfs/dbraw/zinc/38/80/12/943388012.db2.gz HPDAYGAOGHEUNE-HEHGZKQESA-N 2 0 357.325 3.757 20 0 FHADRP [NH3+][C@@H]1C[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc21 ZINC000423091465 943391067 /nfs/dbraw/zinc/39/10/67/943391067.db2.gz ZZCKTXYMKPOYKE-PCHAPFSGSA-N 2 0 353.432 3.526 20 0 FHADRP CSc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423092091 943391330 /nfs/dbraw/zinc/39/13/30/943391330.db2.gz ANTWJUTZBPWPSM-FPOVZHCZSA-N 2 0 354.519 3.797 20 0 FHADRP [NH3+]CC1CCC([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000423093261 943392103 /nfs/dbraw/zinc/39/21/03/943392103.db2.gz GUNJFZYALAPECW-VIVVKUNJSA-N 2 0 355.295 3.941 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000423096496 943392886 /nfs/dbraw/zinc/39/28/86/943392886.db2.gz PBHAPCBNZICEDH-QZTJIDSGSA-N 2 0 350.384 3.905 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423097723 943393123 /nfs/dbraw/zinc/39/31/23/943393123.db2.gz BFGPBBKHJDEHLU-OLZOCXBDSA-N 2 0 357.361 3.910 20 0 FHADRP CSCc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100469 943394041 /nfs/dbraw/zinc/39/40/41/943394041.db2.gz BTWXHLLROSYVMU-FPOVZHCZSA-N 2 0 354.519 3.895 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000423103564 943395104 /nfs/dbraw/zinc/39/51/04/943395104.db2.gz LDKPYFJZDCQKCS-CQSZACIVSA-N 2 0 372.962 3.635 20 0 FHADRP OCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423118841 943397183 /nfs/dbraw/zinc/39/71/83/943397183.db2.gz CJSIBHZARVKSNM-ZVDOUQERSA-N 2 0 372.896 3.609 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000423122936 943397737 /nfs/dbraw/zinc/39/77/37/943397737.db2.gz KHESCGUJYXNGEA-VSKRKVRLSA-N 2 0 353.510 3.811 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(F)c3ccccc32)CC[NH2+]CC1 ZINC000423130894 943400431 /nfs/dbraw/zinc/40/04/31/943400431.db2.gz SLYLPMRQWGCBCK-HZPDHXFCSA-N 2 0 372.484 3.951 20 0 FHADRP C[C@@H](CCc1ccccc1)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435420368 943400708 /nfs/dbraw/zinc/40/07/08/943400708.db2.gz BUNGCGSYCMFKOC-FPOVZHCZSA-N 2 0 366.553 3.633 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423103664 943400980 /nfs/dbraw/zinc/40/09/80/943400980.db2.gz XTUYDENITAJGLK-KBPBESRZSA-N 2 0 374.310 3.719 20 0 FHADRP c1ccc(COc2cnccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423104793 943401830 /nfs/dbraw/zinc/40/18/30/943401830.db2.gz MRNDSXJGGOKJJR-PWRODBHTSA-N 2 0 351.494 3.671 20 0 FHADRP Cc1ncsc1CN(Cc1cc2cc(F)ccc2o1)C[C@@H]1CC[NH2+]C1 ZINC000435422726 943402762 /nfs/dbraw/zinc/40/27/62/943402762.db2.gz PPCDJRXEXGLRKY-CQSZACIVSA-N 2 0 359.470 3.949 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112747 943405962 /nfs/dbraw/zinc/40/59/62/943405962.db2.gz KHJOKQRSRYQDDM-IPJJNNNSSA-N 2 0 368.452 3.667 20 0 FHADRP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414718604 943406725 /nfs/dbraw/zinc/40/67/25/943406725.db2.gz WGUMTVLQEIHYMF-OAQYLSRUSA-N 2 0 360.546 3.946 20 0 FHADRP CSc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423146194 943407462 /nfs/dbraw/zinc/40/74/62/943407462.db2.gz OLHLCGOPZZZIBA-NDXORKPFSA-N 2 0 357.567 3.559 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423135168 943414627 /nfs/dbraw/zinc/41/46/27/943414627.db2.gz FHQAIDYLRZFSQX-TUACAJSNSA-N 2 0 365.565 3.837 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000423184713 943420405 /nfs/dbraw/zinc/42/04/05/943420405.db2.gz IOAQVEFALULKIZ-UHFFFAOYSA-N 2 0 360.590 3.830 20 0 FHADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423158808 943421329 /nfs/dbraw/zinc/42/13/29/943421329.db2.gz DKASLBIQVSYUBN-ZAOYMGCJSA-N 2 0 370.468 3.611 20 0 FHADRP Cc1nc(COc2ccc(C[NH2+]CC3(C)CC[NH+](C)CC3)cc2)cs1 ZINC000503936864 943424570 /nfs/dbraw/zinc/42/45/70/943424570.db2.gz MUTRDRXWJPIHRZ-UHFFFAOYSA-N 2 0 359.539 3.852 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208311 943431369 /nfs/dbraw/zinc/43/13/69/943431369.db2.gz HQTWMMCEWKTHNW-KNQAVFIVSA-N 3 0 361.549 3.968 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423211965 943433827 /nfs/dbraw/zinc/43/38/27/943433827.db2.gz LIUUBXICVWBSQO-XHBSWPGZSA-N 2 0 355.345 3.821 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCNCc2cccnc2)CC1 ZINC000423192242 943436881 /nfs/dbraw/zinc/43/68/81/943436881.db2.gz UYGVTTJRBVJFED-UHFFFAOYSA-N 2 0 366.553 3.594 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254558 943460033 /nfs/dbraw/zinc/46/00/33/943460033.db2.gz YMBCCOKQFUENOF-SJKOYZFVSA-N 2 0 362.315 3.897 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423254126 943460782 /nfs/dbraw/zinc/46/07/82/943460782.db2.gz XFFKIBDSENBBFK-PBHICJAKSA-N 2 0 357.523 3.785 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423256635 943461073 /nfs/dbraw/zinc/46/10/73/943461073.db2.gz FMSVWJZAIXVVHT-CVDCTZTESA-N 2 0 368.521 3.967 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423285166 943464201 /nfs/dbraw/zinc/46/42/01/943464201.db2.gz XSRCWWDMZCJMLP-ZNWBIBPKSA-N 2 0 364.505 3.942 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322742 943475172 /nfs/dbraw/zinc/47/51/72/943475172.db2.gz GTAIHFQSQVJEAI-UIAACRFSSA-N 2 0 370.493 3.509 20 0 FHADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423297617 943475757 /nfs/dbraw/zinc/47/57/57/943475757.db2.gz LAYVMLHTAJORJJ-KBAYOESNSA-N 2 0 352.494 3.942 20 0 FHADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423297615 943476111 /nfs/dbraw/zinc/47/61/11/943476111.db2.gz LAYVMLHTAJORJJ-CGTJXYLNSA-N 2 0 352.494 3.942 20 0 FHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423339580 943484247 /nfs/dbraw/zinc/48/42/47/943484247.db2.gz VJWRPVBTRBEGMY-WMZOPIPTSA-N 2 0 364.505 3.814 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000423363299 943491739 /nfs/dbraw/zinc/49/17/39/943491739.db2.gz BTEDBRAKDMQUOT-HVETUWLQSA-N 2 0 354.494 3.575 20 0 FHADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000423379027 943495368 /nfs/dbraw/zinc/49/53/68/943495368.db2.gz CQHNBOLMGCMCBF-NRFANRHFSA-N 2 0 356.510 3.905 20 0 FHADRP COCC1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]CC1 ZINC000423395644 943500572 /nfs/dbraw/zinc/50/05/72/943500572.db2.gz ALWUYRZSDLPRJO-SJLPKXTDSA-N 2 0 370.459 3.947 20 0 FHADRP COC[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]1 ZINC000423420451 943505073 /nfs/dbraw/zinc/50/50/73/943505073.db2.gz XEACYTAVPHAHGQ-BPQIPLTHSA-N 2 0 356.432 3.700 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000423425807 943506496 /nfs/dbraw/zinc/50/64/96/943506496.db2.gz HGTCPESYZSGLOO-GHMZBOCLSA-N 2 0 364.246 3.598 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403842 943507649 /nfs/dbraw/zinc/50/76/49/943507649.db2.gz SGKOSHGWGZIODC-PJQXDXOGSA-N 2 0 362.315 3.895 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC[NH2+]CC1 ZINC000423404073 943508154 /nfs/dbraw/zinc/50/81/54/943508154.db2.gz IHZLSQBUUXYNSN-OAQYLSRUSA-N 2 0 356.485 3.715 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423406127 943508638 /nfs/dbraw/zinc/50/86/38/943508638.db2.gz YOFJTZBFGHNANY-IPJJNNNSSA-N 2 0 354.494 3.847 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)CC[NH2+]CC1 ZINC000423409535 943509090 /nfs/dbraw/zinc/50/90/90/943509090.db2.gz QHVYWUVJYNACKG-QGZVFWFLSA-N 2 0 355.482 3.541 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423408208 943509243 /nfs/dbraw/zinc/50/92/43/943509243.db2.gz OGCYBDQOWGOXJW-ZWKOTPCHSA-N 2 0 370.459 3.947 20 0 FHADRP COCC1(C[NH2+][C@@H](C)CCCOc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000423413482 943510309 /nfs/dbraw/zinc/51/03/09/943510309.db2.gz ZDDGDDWXDOXGEY-KRWDZBQOSA-N 2 0 368.949 3.802 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423413056 943510912 /nfs/dbraw/zinc/51/09/12/943510912.db2.gz XXFJJERRSJLBDM-IEBWSBKVSA-N 2 0 350.934 3.657 20 0 FHADRP C[C@@H](c1ccc2ccccc2c1)[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743363 943514237 /nfs/dbraw/zinc/51/42/37/943514237.db2.gz ITBOGRKRXCUVIQ-ROUUACIJSA-N 2 0 365.521 3.563 20 0 FHADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000423434948 943518538 /nfs/dbraw/zinc/51/85/38/943518538.db2.gz YRKXUMAVTVRHPL-BPUTZDHNSA-N 2 0 361.921 3.645 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423458823 943521704 /nfs/dbraw/zinc/52/17/04/943521704.db2.gz QKMPEVYALBRLFJ-DYVFJYSZSA-N 2 0 355.320 3.634 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423467473 943523761 /nfs/dbraw/zinc/52/37/61/943523761.db2.gz XNIILOTZHPNKTN-IRXDYDNUSA-N 2 0 352.482 3.691 20 0 FHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1OC ZINC000423506415 943531624 /nfs/dbraw/zinc/53/16/24/943531624.db2.gz IVLRXACISSQFQC-FAFZWHIHSA-N 2 0 365.949 3.606 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423494039 943536834 /nfs/dbraw/zinc/53/68/34/943536834.db2.gz CPYLDSXOWCJTHB-FSPWUOQZSA-N 2 0 367.331 3.634 20 0 FHADRP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414749487 943538604 /nfs/dbraw/zinc/53/86/04/943538604.db2.gz KDYWHVODLZYBFS-FQEVSTJZSA-N 2 0 354.494 3.848 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000423509023 943540514 /nfs/dbraw/zinc/54/05/14/943540514.db2.gz LCTXMEFCAQWKAO-NNGSBXSVSA-N 2 0 355.448 3.572 20 0 FHADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)C1 ZINC000423533144 943540607 /nfs/dbraw/zinc/54/06/07/943540607.db2.gz WWJOVKVKBGRTPK-CRGYJSLOSA-N 2 0 359.602 3.773 20 0 FHADRP CCCCOc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423517354 943543418 /nfs/dbraw/zinc/54/34/18/943543418.db2.gz YAVFMMLDCZBCLF-PELRDEGISA-N 2 0 359.558 3.733 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1Cl ZINC000423523980 943545634 /nfs/dbraw/zinc/54/56/34/943545634.db2.gz WOKUOMHAASFWJF-JEYLPNPQSA-N 2 0 356.341 3.860 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000504200349 943546676 /nfs/dbraw/zinc/54/66/76/943546676.db2.gz ALPHLITZBQRKMS-UHFFFAOYSA-N 2 0 359.558 3.863 20 0 FHADRP Clc1ccc([C@@H](CC2CC2)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423524867 943546733 /nfs/dbraw/zinc/54/67/33/943546733.db2.gz XKEFVUKYXBAJDU-XVAXZDLZSA-N 2 0 361.961 3.987 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000423557430 943547912 /nfs/dbraw/zinc/54/79/12/943547912.db2.gz ZRHQIOBRUZDAST-MTFMMBMASA-N 2 0 352.526 3.836 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539852 943551660 /nfs/dbraw/zinc/55/16/60/943551660.db2.gz IYMBWSSYFJSGAC-SMKXDYDZSA-N 2 0 365.315 3.641 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423540331 943552016 /nfs/dbraw/zinc/55/20/16/943552016.db2.gz JRRXDUBDBMGFPE-ZKAWZIJESA-N 2 0 353.279 3.553 20 0 FHADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423546335 943554006 /nfs/dbraw/zinc/55/40/06/943554006.db2.gz CYVJVZOIYXOQQR-HTAPYJJXSA-N 2 0 367.512 3.642 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000423579958 943562876 /nfs/dbraw/zinc/56/28/76/943562876.db2.gz XGCGRNYIHVZIAA-QGZVFWFLSA-N 2 0 357.929 3.984 20 0 FHADRP COc1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000515204643 943565726 /nfs/dbraw/zinc/56/57/26/943565726.db2.gz JQYPWIVTCHVDCU-FOUBCARRSA-N 2 0 353.510 3.897 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423729282 943605959 /nfs/dbraw/zinc/60/59/59/943605959.db2.gz NSCNCAVKCFMEFL-BWPNAZKDSA-N 2 0 357.542 3.576 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1-n1cncn1 ZINC000093016551 943609527 /nfs/dbraw/zinc/60/95/27/943609527.db2.gz GKSCOWOXHPQRSB-NRFANRHFSA-N 2 0 367.541 3.664 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423904807 943643867 /nfs/dbraw/zinc/64/38/67/943643867.db2.gz ORBRQWSYDIFYSP-HBFSDRIKSA-N 2 0 365.521 3.737 20 0 FHADRP CC[C@@H](CC1CCCC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021926 943690119 /nfs/dbraw/zinc/69/01/19/943690119.db2.gz SJTDCDZFFDQZOI-NRFANRHFSA-N 2 0 371.569 3.703 20 0 FHADRP [NH3+]C1(CNC(=O)c2cccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000424035205 943697687 /nfs/dbraw/zinc/69/76/87/943697687.db2.gz DWWFIAFUYCBDCO-UHFFFAOYSA-N 2 0 373.500 3.563 20 0 FHADRP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414772496 943705727 /nfs/dbraw/zinc/70/57/27/943705727.db2.gz BXEBZYFUPMIRRH-OAQYLSRUSA-N 2 0 350.506 3.849 20 0 FHADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000584839581 943737598 /nfs/dbraw/zinc/73/75/98/943737598.db2.gz RCWBKOCHDGVUAY-XHSDSOJGSA-N 2 0 372.431 3.586 20 0 FHADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000584839578 943737805 /nfs/dbraw/zinc/73/78/05/943737805.db2.gz RCWBKOCHDGVUAY-ARFHVFGLSA-N 2 0 372.431 3.586 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549475063 943741793 /nfs/dbraw/zinc/74/17/93/943741793.db2.gz CEINWNYWAPYGCX-QSFXBCCZSA-N 2 0 369.475 3.703 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424134853 943747643 /nfs/dbraw/zinc/74/76/43/943747643.db2.gz ODNUPRXKECTJDI-QUCCMNQESA-N 2 0 351.579 3.835 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424130203 943757849 /nfs/dbraw/zinc/75/78/49/943757849.db2.gz HCDGFBSCBKFUCY-ICSRJNTNSA-N 2 0 351.579 3.693 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000424131238 943758051 /nfs/dbraw/zinc/75/80/51/943758051.db2.gz IRPXREGCVLMKBU-ZWKOTPCHSA-N 2 0 351.560 3.545 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC12CCOCC2 ZINC000414776898 943769989 /nfs/dbraw/zinc/76/99/89/943769989.db2.gz DTVSGTUACNGESS-LJQANCHMSA-N 2 0 352.478 3.666 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC12CCOCC2 ZINC000414776895 943770068 /nfs/dbraw/zinc/77/00/68/943770068.db2.gz DTVSGTUACNGESS-IBGZPJMESA-N 2 0 352.478 3.666 20 0 FHADRP C[NH+](C)Cc1ccc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1F ZINC000424169298 943772628 /nfs/dbraw/zinc/77/26/28/943772628.db2.gz JNHRZGQBAHPSGG-LJQANCHMSA-N 2 0 363.521 3.581 20 0 FHADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000516885580 943793918 /nfs/dbraw/zinc/79/39/18/943793918.db2.gz WWNZUAFBGZPKFB-HXUWFJFHSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000515373979 943818032 /nfs/dbraw/zinc/81/80/32/943818032.db2.gz NSZTZFRZQYKFRB-GHTZIAJQSA-N 2 0 372.557 3.695 20 0 FHADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866934 943827179 /nfs/dbraw/zinc/82/71/79/943827179.db2.gz YGDHYMHUXWZUMU-OFNKIYASSA-N 2 0 351.538 3.619 20 0 FHADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866932 943827701 /nfs/dbraw/zinc/82/77/01/943827701.db2.gz YGDHYMHUXWZUMU-NFBKMPQASA-N 2 0 351.538 3.619 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424284695 943837054 /nfs/dbraw/zinc/83/70/54/943837054.db2.gz DPPLXYNHDNNOCC-KRWDZBQOSA-N 2 0 351.494 3.632 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424369311 943882104 /nfs/dbraw/zinc/88/21/04/943882104.db2.gz BECPGOHMBIJAEX-OAHLLOKOSA-N 2 0 358.917 3.798 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000417804703 943884212 /nfs/dbraw/zinc/88/42/12/943884212.db2.gz XXKRNPKYSRHGBV-PMACEKPBSA-N 2 0 353.510 3.652 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000417804705 943884738 /nfs/dbraw/zinc/88/47/38/943884738.db2.gz XXKRNPKYSRHGBV-VQTJNVASSA-N 2 0 353.510 3.652 20 0 FHADRP [NH3+]CCC[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000417807496 943886743 /nfs/dbraw/zinc/88/67/43/943886743.db2.gz KBPJJNUKDSQXIR-OAQYLSRUSA-N 2 0 372.557 3.563 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424380146 943889361 /nfs/dbraw/zinc/88/93/61/943889361.db2.gz PMWNVWDCXDJTSK-QGZVFWFLSA-N 2 0 351.494 3.721 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000424420266 943897978 /nfs/dbraw/zinc/89/79/78/943897978.db2.gz QDMZWAWGJLBNMI-UYAOXDASSA-N 2 0 358.530 3.843 20 0 FHADRP CCN(C(=O)Nc1cc(C)cc(C[NH3+])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424426112 943922152 /nfs/dbraw/zinc/92/21/52/943922152.db2.gz LJPSJECIULDUEH-OAQYLSRUSA-N 2 0 366.509 3.582 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000424429919 943925884 /nfs/dbraw/zinc/92/58/84/943925884.db2.gz YNMWRTLOZWYGHB-GOSISDBHSA-N 2 0 360.889 3.532 20 0 FHADRP Cc1cn2c(n1)CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676261 943932181 /nfs/dbraw/zinc/93/21/81/943932181.db2.gz FRUWXFQJJFDVBT-NYLDSWQDSA-N 2 0 352.526 3.539 20 0 FHADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790526 943938931 /nfs/dbraw/zinc/93/89/31/943938931.db2.gz ZZIOKPACNPQNKW-CABCVRRESA-N 2 0 360.395 3.588 20 0 FHADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000515518100 943950525 /nfs/dbraw/zinc/95/05/25/943950525.db2.gz PVEPLHAHEBPQAP-CEXWTWQISA-N 2 0 359.558 3.701 20 0 FHADRP CC[C@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000511642258 943965733 /nfs/dbraw/zinc/96/57/33/943965733.db2.gz WNOQFZMMPXMRBC-LJQANCHMSA-N 2 0 373.585 3.596 20 0 FHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000893328106 944024811 /nfs/dbraw/zinc/02/48/11/944024811.db2.gz UUUGMUDSZFRHDX-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000517162219 944053049 /nfs/dbraw/zinc/05/30/49/944053049.db2.gz ZNARHWUTYHKWJP-YFXJRYMSSA-N 2 0 373.585 3.931 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000505133173 944063350 /nfs/dbraw/zinc/06/33/50/944063350.db2.gz DOZHODZFCLMOPK-DLBZAZTESA-N 2 0 373.463 3.591 20 0 FHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000505136574 944065636 /nfs/dbraw/zinc/06/56/36/944065636.db2.gz SKQZMFZIXGIEEI-LEWJYISDSA-N 2 0 359.558 3.524 20 0 FHADRP CCOc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414912677 944074667 /nfs/dbraw/zinc/07/46/67/944074667.db2.gz VQJKNUZXRGKAAY-UHFFFAOYSA-N 2 0 360.420 3.506 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC000414812280 944105195 /nfs/dbraw/zinc/10/51/95/944105195.db2.gz QYZDGEUDSFYWPQ-QGZVFWFLSA-N 2 0 355.501 3.642 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000436244272 944130913 /nfs/dbraw/zinc/13/09/13/944130913.db2.gz ZQWKFUJRCVKNEK-UHFFFAOYSA-N 2 0 355.457 3.927 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000418102846 944159285 /nfs/dbraw/zinc/15/92/85/944159285.db2.gz HYIPHBWGEDXXCE-JOCHJYFZSA-N 2 0 365.521 3.580 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000500140514 944162135 /nfs/dbraw/zinc/16/21/35/944162135.db2.gz PSYASFVKAJYJRE-UHFFFAOYSA-N 2 0 374.573 3.592 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000436285259 944163869 /nfs/dbraw/zinc/16/38/69/944163869.db2.gz DBSWQNDNRAFYBI-QZTJIDSGSA-N 2 0 353.510 3.858 20 0 FHADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436286116 944164719 /nfs/dbraw/zinc/16/47/19/944164719.db2.gz ARKDZTUFELEFNV-MOMVYJMYSA-N 2 0 350.547 3.885 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436274695 944171752 /nfs/dbraw/zinc/17/17/52/944171752.db2.gz MIFHTWVDTVGLRK-OALUTQOASA-N 2 0 372.532 3.918 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436293355 944178987 /nfs/dbraw/zinc/17/89/87/944178987.db2.gz MJZYSIOUEZIURE-UEVCKROQSA-N 2 0 370.585 3.679 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@H]1C ZINC000436296658 944181017 /nfs/dbraw/zinc/18/10/17/944181017.db2.gz SGHABJGARPSJSR-LCLWPZTBSA-N 2 0 350.547 3.741 20 0 FHADRP CSc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000436312972 944191822 /nfs/dbraw/zinc/19/18/22/944191822.db2.gz KYPKJOJPKBIYHC-UTKZUKDTSA-N 2 0 355.551 3.846 20 0 FHADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000515838428 944256557 /nfs/dbraw/zinc/25/65/57/944256557.db2.gz WZVPQYMRMZVLJH-LEWJYISDSA-N 2 0 357.542 3.586 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000414975330 944263905 /nfs/dbraw/zinc/26/39/05/944263905.db2.gz NWTYNEDTJKDVRU-NHCUHLMSSA-N 2 0 360.542 3.716 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000439086458 944325271 /nfs/dbraw/zinc/32/52/71/944325271.db2.gz OPOPRFASZMNGHC-KRWDZBQOSA-N 2 0 361.530 3.816 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438094163 944332056 /nfs/dbraw/zinc/33/20/56/944332056.db2.gz JUTLZBDHTRVMKM-BJKOFHAPSA-N 2 0 369.597 3.987 20 0 FHADRP C[NH+]1CCC(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CC1 ZINC000894640688 944351010 /nfs/dbraw/zinc/35/10/10/944351010.db2.gz HQPVOGIEGYVFLT-UHFFFAOYSA-N 2 0 354.897 3.502 20 0 FHADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000550180375 944359874 /nfs/dbraw/zinc/35/98/74/944359874.db2.gz BLGIUZJJAAEXQT-UTKZUKDTSA-N 2 0 362.477 3.632 20 0 FHADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000518426208 944370755 /nfs/dbraw/zinc/37/07/55/944370755.db2.gz CBHPDSZNSOXWKC-RBUKOAKNSA-N 2 0 361.549 3.685 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000518461153 944401879 /nfs/dbraw/zinc/40/18/79/944401879.db2.gz YADHPTWNYRDJIN-LJQANCHMSA-N 2 0 372.557 3.711 20 0 FHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000550200155 944402003 /nfs/dbraw/zinc/40/20/03/944402003.db2.gz AESQDEBXHKPRFB-CQSZACIVSA-N 2 0 355.295 3.752 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1)C1CC1 ZINC000150738173 944445592 /nfs/dbraw/zinc/44/55/92/944445592.db2.gz ZCLMBYHURZKUEA-NRFANRHFSA-N 2 0 369.553 3.761 20 0 FHADRP CC[NH+]1CCC([NH2+]CC2(c3ccccc3Br)CCC2)CC1 ZINC000426333576 944475731 /nfs/dbraw/zinc/47/57/31/944475731.db2.gz IOXORUHLSRHTPI-UHFFFAOYSA-N 2 0 351.332 3.945 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000414992290 944491176 /nfs/dbraw/zinc/49/11/76/944491176.db2.gz BOXCBEGEBCVTTM-BMGDILEWSA-N 2 0 352.906 3.505 20 0 FHADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000364372334 944492212 /nfs/dbraw/zinc/49/22/12/944492212.db2.gz CFBWRIBMPGOBKH-IBGZPJMESA-N 2 0 351.498 3.547 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCNCc2cccnc2)c(Cl)c1 ZINC000414888827 944501373 /nfs/dbraw/zinc/50/13/73/944501373.db2.gz YENMGGQIWCCPJH-INIZCTEOSA-N 2 0 374.916 3.530 20 0 FHADRP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000516117324 944502572 /nfs/dbraw/zinc/50/25/72/944502572.db2.gz ASZYNRFRSJXFDC-OAHLLOKOSA-N 2 0 367.331 3.621 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC000426356092 944544698 /nfs/dbraw/zinc/54/46/98/944544698.db2.gz HBHIYFATYDRWOK-LNLFQRSKSA-N 2 0 360.542 3.965 20 0 FHADRP Cc1ccc(C)c(NC(=O)CN2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278835935 944602567 /nfs/dbraw/zinc/60/25/67/944602567.db2.gz IVBCACBLVNYCAZ-UHFFFAOYSA-N 2 0 366.509 3.654 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000418461764 944633820 /nfs/dbraw/zinc/63/38/20/944633820.db2.gz MIZANBUHKHXFPO-ICSRJNTNSA-N 2 0 372.557 3.504 20 0 FHADRP Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)oc2c1 ZINC000426025754 944665290 /nfs/dbraw/zinc/66/52/90/944665290.db2.gz WRFHWZSLOCRHSY-MRXNPFEDSA-N 2 0 353.466 3.927 20 0 FHADRP FC(F)(F)Oc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000506591487 944687817 /nfs/dbraw/zinc/68/78/17/944687817.db2.gz BSPBEGHBASXCKI-UHFFFAOYSA-N 2 0 372.431 3.520 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000500388014 944724651 /nfs/dbraw/zinc/72/46/51/944724651.db2.gz XKDLGYOREYTGMN-FYPAKXHLSA-N 2 0 369.475 3.724 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000500388017 944724812 /nfs/dbraw/zinc/72/48/12/944724812.db2.gz XKDLGYOREYTGMN-ZQHZRZASSA-N 2 0 369.475 3.724 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414933793 944724934 /nfs/dbraw/zinc/72/49/34/944724934.db2.gz UUFOZZDTZOUTMD-CJNGLKHVSA-N 2 0 371.447 3.790 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415000668 944727993 /nfs/dbraw/zinc/72/79/93/944727993.db2.gz KJNPWUVUIGWMPC-VQIMIIECSA-N 2 0 354.494 3.978 20 0 FHADRP CCCC[C@@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)N(CC)CC)CC2 ZINC001280170188 944771610 /nfs/dbraw/zinc/77/16/10/944771610.db2.gz SULOGZKOOZWTOU-HXUWFJFHSA-N 2 0 365.606 3.859 20 0 FHADRP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000473061768 944785910 /nfs/dbraw/zinc/78/59/10/944785910.db2.gz ZKOMBKLGIUZHQE-GHTZIAJQSA-N 2 0 365.993 3.913 20 0 FHADRP Cc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(-c2ccnn2C)c1 ZINC000518798745 944792653 /nfs/dbraw/zinc/79/26/53/944792653.db2.gz STJGASBRXDGUMJ-UHFFFAOYSA-N 2 0 366.484 3.886 20 0 FHADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000366697947 944792994 /nfs/dbraw/zinc/79/29/94/944792994.db2.gz RCLJMJNHXXIQIO-CVAIRZPRSA-N 2 0 373.566 3.984 20 0 FHADRP C[NH+]1CCC(C)(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000506955111 944793835 /nfs/dbraw/zinc/79/38/35/944793835.db2.gz SVCOGZSPZJRIIT-UHFFFAOYSA-N 2 0 372.557 3.568 20 0 FHADRP CCC[C@@H](NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)OCC ZINC000439604425 944804703 /nfs/dbraw/zinc/80/47/03/944804703.db2.gz QJGZBRPWHFCDED-LJQANCHMSA-N 2 0 366.933 3.873 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836223 944854895 /nfs/dbraw/zinc/85/48/95/944854895.db2.gz UTUYVLSCCGYBJQ-PZJWPPBQSA-N 2 0 371.569 3.525 20 0 FHADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000426083802 944862924 /nfs/dbraw/zinc/86/29/24/944862924.db2.gz IGNJPDNAEJBJKL-OAQYLSRUSA-N 2 0 368.525 3.548 20 0 FHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000439686979 944880061 /nfs/dbraw/zinc/88/00/61/944880061.db2.gz KLVGJBYMGMCVEE-JOCHJYFZSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414943238 944936144 /nfs/dbraw/zinc/93/61/44/944936144.db2.gz NOLACGWSXVNUAW-XMSQKQJNSA-N 2 0 360.505 3.686 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414941961 944938183 /nfs/dbraw/zinc/93/81/83/944938183.db2.gz DCMYSRLLJIMLQE-LPHOPBHVSA-N 2 0 366.534 3.890 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897652 944982539 /nfs/dbraw/zinc/98/25/39/944982539.db2.gz FECDRACVGUAUMA-UHFFFAOYSA-N 2 0 360.933 3.681 20 0 FHADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414897865 944991414 /nfs/dbraw/zinc/99/14/14/944991414.db2.gz ACAKDUIXKHLAPX-JOCHJYFZSA-N 2 0 354.494 3.754 20 0 FHADRP CC1(C)CCC[C@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000516550204 944996835 /nfs/dbraw/zinc/99/68/35/944996835.db2.gz ZRMSZTWNZDIBDR-FQEVSTJZSA-N 2 0 371.569 3.690 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000414946420 944999905 /nfs/dbraw/zinc/99/99/05/944999905.db2.gz TZKASYLNPWYJGR-HNAYVOBHSA-N 2 0 350.466 3.528 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000262002252 945000623 /nfs/dbraw/zinc/00/06/23/945000623.db2.gz UEOGDYZXDCRRNT-LBPRGKRZSA-N 2 0 352.404 3.655 20 0 FHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCC[NH3+])c1 ZINC000414898691 945012417 /nfs/dbraw/zinc/01/24/17/945012417.db2.gz DTCUKFQUUPKEMO-UHFFFAOYSA-N 2 0 352.457 3.815 20 0 FHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097259 945016239 /nfs/dbraw/zinc/01/62/39/945016239.db2.gz PDJJNWKJZDTZNU-WOIUINJBSA-N 2 0 355.570 3.928 20 0 FHADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(-c2ccccc2)cc1OC ZINC000415005629 945037911 /nfs/dbraw/zinc/03/79/11/945037911.db2.gz JHIHOMNZKIIDPX-LEWJYISDSA-N 2 0 366.505 3.849 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414955342 945044418 /nfs/dbraw/zinc/04/44/18/945044418.db2.gz UCEJMCQYAQVXTF-MAUKXSAKSA-N 2 0 356.514 3.544 20 0 FHADRP COC(=O)[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1c1ccccc1 ZINC001167986532 945385713 /nfs/dbraw/zinc/38/57/13/945385713.db2.gz GOCWJMTYSGLSOF-UWFUTDFQSA-N 2 0 368.521 3.628 20 0 FHADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427469963 945400407 /nfs/dbraw/zinc/40/04/07/945400407.db2.gz OXCGDEFGMYOBCF-CTNGQTDRSA-N 2 0 371.569 3.525 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443975563 945505730 /nfs/dbraw/zinc/50/57/30/945505730.db2.gz AGCQLFNIXKATHT-UHFFFAOYSA-N 2 0 373.444 3.782 20 0 FHADRP CCc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000044292013 945586286 /nfs/dbraw/zinc/58/62/86/945586286.db2.gz HJHAMTGBVDRBGS-OAQYLSRUSA-N 2 0 368.525 3.735 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000519767710 945723841 /nfs/dbraw/zinc/72/38/41/945723841.db2.gz IODGWZHYZXTKMG-DYESRHJHSA-N 2 0 361.599 3.649 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714145 945746550 /nfs/dbraw/zinc/74/65/50/945746550.db2.gz RGXOZWLEGJYABA-WIYYLYMNSA-N 2 0 353.510 3.636 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000192617004 945748422 /nfs/dbraw/zinc/74/84/22/945748422.db2.gz SKHLQELRQAMHTE-SFHVURJKSA-N 2 0 370.493 3.994 20 0 FHADRP COc1ccccc1OCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110915606 945782385 /nfs/dbraw/zinc/78/23/85/945782385.db2.gz VUNMHTQFAUIICI-UHFFFAOYSA-N 2 0 368.521 3.918 20 0 FHADRP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065968 945796231 /nfs/dbraw/zinc/79/62/31/945796231.db2.gz ZJERXXVHNZHNHH-KLACQSGDSA-N 2 0 368.443 3.832 20 0 FHADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444090327 945839276 /nfs/dbraw/zinc/83/92/76/945839276.db2.gz RHFOGMSVDXAWIB-MMXRJIGESA-N 2 0 371.569 3.759 20 0 FHADRP CC(C)[NH2+]CCC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662759537 945892515 /nfs/dbraw/zinc/89/25/15/945892515.db2.gz SNAAQBPFFXLEBE-JOCHJYFZSA-N 2 0 371.569 3.524 20 0 FHADRP C[NH+](C)CC[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)(C)C ZINC000415968993 945921648 /nfs/dbraw/zinc/92/16/48/945921648.db2.gz JNNRNYLCMAOHTJ-OAHLLOKOSA-N 2 0 374.451 3.652 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000188124518 945981773 /nfs/dbraw/zinc/98/17/73/945981773.db2.gz MGNFKMDSOLWORW-WMZOPIPTSA-N 2 0 352.544 3.569 20 0 FHADRP Cc1nc(-c2ccccc2)oc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000639509268 946001732 /nfs/dbraw/zinc/00/17/32/946001732.db2.gz XYEAWTSSYHZVTK-UHFFFAOYSA-N 2 0 369.509 3.727 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825197 946075131 /nfs/dbraw/zinc/07/51/31/946075131.db2.gz FJCBFQKSRBRKSG-AVRDEDQJSA-N 2 0 369.553 3.724 20 0 FHADRP Cc1cc(C)cc(OCCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000441028569 946139954 /nfs/dbraw/zinc/13/99/54/946139954.db2.gz LHRHGDBRHOGAEV-UHFFFAOYSA-N 2 0 373.585 3.563 20 0 FHADRP CC[C@@H](OCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000651908839 946230127 /nfs/dbraw/zinc/23/01/27/946230127.db2.gz ORVJJGFKGXUCJC-OAQYLSRUSA-N 2 0 350.466 3.833 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1cccc2ccccc21 ZINC000441200124 946300379 /nfs/dbraw/zinc/30/03/79/946300379.db2.gz OCADWBLYQNQVTK-MZYLBHOOSA-N 2 0 352.522 3.956 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C(C)C ZINC000441221383 946311974 /nfs/dbraw/zinc/31/19/74/946311974.db2.gz ACWWHADSMXPMMN-VLCRHTCISA-N 2 0 360.542 3.681 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000416876546 946321800 /nfs/dbraw/zinc/32/18/00/946321800.db2.gz AABRBRZPICBMEX-QGZVFWFLSA-N 2 0 368.525 3.548 20 0 FHADRP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248445677 946344741 /nfs/dbraw/zinc/34/47/41/946344741.db2.gz CFTSCLKORCXRNO-IRXDYDNUSA-N 2 0 367.331 3.607 20 0 FHADRP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000302861972 946355538 /nfs/dbraw/zinc/35/55/38/946355538.db2.gz VSPUNSZOOXVEMG-OAQYLSRUSA-N 2 0 351.450 3.752 20 0 FHADRP C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000520297228 946376907 /nfs/dbraw/zinc/37/69/07/946376907.db2.gz PIUXMFWQSBEJFG-QGZVFWFLSA-N 2 0 367.512 3.643 20 0 FHADRP c1cncc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCCC2)c1 ZINC000652153407 946392736 /nfs/dbraw/zinc/39/27/36/946392736.db2.gz IQXLFGLEDLZEEJ-AVRDEDQJSA-N 2 0 357.542 3.794 20 0 FHADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652155234 946402419 /nfs/dbraw/zinc/40/24/19/946402419.db2.gz ZTMOFGFNVSKJGX-QFIPXVFZSA-N 2 0 353.510 3.891 20 0 FHADRP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000475130237 946436861 /nfs/dbraw/zinc/43/68/61/946436861.db2.gz MXVVKPFEBNPRFC-WOJBJXKFSA-N 2 0 373.928 3.800 20 0 FHADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000475130235 946437452 /nfs/dbraw/zinc/43/74/52/946437452.db2.gz MXVVKPFEBNPRFC-VQTJNVASSA-N 2 0 373.928 3.800 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1(C)C ZINC000441335505 946442495 /nfs/dbraw/zinc/44/24/95/946442495.db2.gz QLHPENYYSDKMBX-UHFFFAOYSA-N 2 0 353.510 3.595 20 0 FHADRP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359566 946484898 /nfs/dbraw/zinc/48/48/98/946484898.db2.gz RRGXITAVODVJKX-FGZHOGPDSA-N 2 0 371.569 3.552 20 0 FHADRP C[C@@H]1C[C@@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168057487 946551807 /nfs/dbraw/zinc/55/18/07/946551807.db2.gz NMMOCEIHVZQRQX-NPDDRXJXSA-N 2 0 364.537 3.692 20 0 FHADRP CCC(=O)N(C)C1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168057372 946558133 /nfs/dbraw/zinc/55/81/33/946558133.db2.gz MQZHPOMRHMQTRH-HATOLVCRSA-N 2 0 371.569 3.761 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000536266526 946661380 /nfs/dbraw/zinc/66/13/80/946661380.db2.gz FEQFLCQUADHVFC-VSKRKVRLSA-N 2 0 365.521 3.631 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561370 946662116 /nfs/dbraw/zinc/66/21/16/946662116.db2.gz YFBQAYNGVXRIDZ-JNVBVNAASA-N 3 0 367.581 3.894 20 0 FHADRP C[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059327 946670419 /nfs/dbraw/zinc/67/04/19/946670419.db2.gz DNFSGCUWVCAEDL-IRMYBRCSSA-N 2 0 355.570 3.988 20 0 FHADRP C[N@H+](CCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1 ZINC000894964813 946710178 /nfs/dbraw/zinc/71/01/78/946710178.db2.gz ASWDWAJOXRZFKP-JLYLLQBASA-N 2 0 365.562 3.629 20 0 FHADRP CC(C)([NH3+])CCC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663020237 946717946 /nfs/dbraw/zinc/71/79/46/946717946.db2.gz VVKAJFVIEKGEAY-OAQYLSRUSA-N 2 0 371.569 3.653 20 0 FHADRP COC(=O)CC[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059783 946746779 /nfs/dbraw/zinc/74/67/79/946746779.db2.gz HDZOZIKXXODVNW-QWFCFKBJSA-N 2 0 358.526 3.703 20 0 FHADRP CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000665821484 946760049 /nfs/dbraw/zinc/76/00/49/946760049.db2.gz NRCHZLYYAJUOMR-NRFANRHFSA-N 2 0 372.557 3.663 20 0 FHADRP C[C@H]1CC([N@@H+]2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168060271 946780247 /nfs/dbraw/zinc/78/02/47/946780247.db2.gz WGHITPSXNXLXIN-IPJJNNNSSA-N 2 0 365.521 3.976 20 0 FHADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475298302 946836012 /nfs/dbraw/zinc/83/60/12/946836012.db2.gz ZJXWFLBUDAEQTB-FQEVSTJZSA-N 2 0 371.569 3.525 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647976649 946889173 /nfs/dbraw/zinc/88/91/73/946889173.db2.gz RNWHXJAERJSXIR-ZWKOTPCHSA-N 2 0 355.482 3.562 20 0 FHADRP C(C[NH+]1CCCCC1)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000523017397 946903934 /nfs/dbraw/zinc/90/39/34/946903934.db2.gz OQCLARZTRGWMKE-UHFFFAOYSA-N 2 0 359.602 3.696 20 0 FHADRP Fc1cccc([C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655723604 946912544 /nfs/dbraw/zinc/91/25/44/946912544.db2.gz QPRDBJPEFYPOQM-YADHBBJMSA-N 2 0 354.469 3.758 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000652355500 946916259 /nfs/dbraw/zinc/91/62/59/946916259.db2.gz ZKNDNEVGIZOJGZ-UWJYYQICSA-N 2 0 351.494 3.888 20 0 FHADRP c1ccc2c(c1)cccc2CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000523017432 946917545 /nfs/dbraw/zinc/91/75/45/946917545.db2.gz RGRNTMWZJLIABN-UHFFFAOYSA-N 2 0 352.522 3.817 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062625 946973857 /nfs/dbraw/zinc/97/38/57/946973857.db2.gz KRCSZLOGMONKNP-VTYHHJSWSA-N 3 0 355.570 3.846 20 0 FHADRP C[C@@H]1CC(n2ccnc2[C@@H]2CCC[NH2+]C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062691 946996445 /nfs/dbraw/zinc/99/64/45/946996445.db2.gz LQVQSFNSGRUDEE-QWFCFKBJSA-N 2 0 352.526 3.964 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824955303 947003741 /nfs/dbraw/zinc/00/37/41/947003741.db2.gz NWTIDLOVVYNFQS-PBPGXSGUSA-N 2 0 368.529 3.560 20 0 FHADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978838 947022972 /nfs/dbraw/zinc/02/29/72/947022972.db2.gz ZCYFWNWTTIOVGO-IRXDYDNUSA-N 2 0 374.916 3.644 20 0 FHADRP c1ccc(C[N@H+]2CCC[C@H]3CN(CCC[NH+]4CCCCC4)CC[C@H]32)cc1 ZINC000444601910 947028112 /nfs/dbraw/zinc/02/81/12/947028112.db2.gz GENVYLGOAHLVSB-XZOQPEGZSA-N 2 0 355.570 3.849 20 0 FHADRP Cc1noc([C@@H]2CC[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064609 947066794 /nfs/dbraw/zinc/06/67/94/947066794.db2.gz QRIFZMCXXRUBGW-TXPKVOOTSA-N 2 0 354.498 3.609 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000192932071 947114628 /nfs/dbraw/zinc/11/46/28/947114628.db2.gz ARACWDNJWBCAQQ-HXUWFJFHSA-N 2 0 354.494 3.706 20 0 FHADRP CC(C)(CNc1ccnc2c(Br)cccc12)[NH+]1CCOCC1 ZINC000301145190 947202205 /nfs/dbraw/zinc/20/22/05/947202205.db2.gz AJGZTCMWGROEFJ-UHFFFAOYSA-N 2 0 364.287 3.520 20 0 FHADRP CC(C)[N@@H+]1CCc2nc(CNc3[nH+]ccn3-c3ccccc3)sc2C1 ZINC000508516506 947445771 /nfs/dbraw/zinc/44/57/71/947445771.db2.gz OSMWKJPIQLBKJM-UHFFFAOYSA-N 2 0 353.495 3.707 20 0 FHADRP CC1(C)C[N@H+](CCOCC(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663218721 947446691 /nfs/dbraw/zinc/44/66/91/947446691.db2.gz WIORYVWDRBSUMF-HXUWFJFHSA-N 2 0 366.496 3.891 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000523664049 947492948 /nfs/dbraw/zinc/49/29/48/947492948.db2.gz MMWNJHICNPYNEN-UHFFFAOYSA-N 2 0 359.558 3.865 20 0 FHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000523740936 947562117 /nfs/dbraw/zinc/56/21/17/947562117.db2.gz OCNFTIWAOKKFPA-UHFFFAOYSA-N 2 0 359.489 3.511 20 0 FHADRP CC(C)c1ccc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000663260313 947582196 /nfs/dbraw/zinc/58/21/96/947582196.db2.gz DTTIHNLXVOULFA-UHFFFAOYSA-N 2 0 359.558 3.624 20 0 FHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251642 947673859 /nfs/dbraw/zinc/67/38/59/947673859.db2.gz HBEKNYPFGFYTSC-DYVFJYSZSA-N 2 0 354.416 3.752 20 0 FHADRP c1ccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC2CCOCC2)cc1 ZINC000662254766 947675626 /nfs/dbraw/zinc/67/56/26/947675626.db2.gz LHIIQMVKYKQUSA-UHFFFAOYSA-N 2 0 350.506 3.761 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285148 947703551 /nfs/dbraw/zinc/70/35/51/947703551.db2.gz YBIOIWUZGBOZSB-NJAFHUGGSA-N 2 0 354.947 3.793 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000165187059 947703572 /nfs/dbraw/zinc/70/35/72/947703572.db2.gz GBZXMMRGZLNNCY-QLXKLKPCSA-N 2 0 374.550 3.605 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000165186845 947704015 /nfs/dbraw/zinc/70/40/15/947704015.db2.gz GBZXMMRGZLNNCY-MRDQGFSESA-N 2 0 374.550 3.605 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286946 947710397 /nfs/dbraw/zinc/71/03/97/947710397.db2.gz URDNNWXVNCLWDK-KYJSFNMBSA-N 2 0 354.947 3.650 20 0 FHADRP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)ccc1F ZINC000662291613 947713619 /nfs/dbraw/zinc/71/36/19/947713619.db2.gz JEDMSBRMXZCGRI-QAPCUYQASA-N 2 0 372.488 3.957 20 0 FHADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662292986 947715072 /nfs/dbraw/zinc/71/50/72/947715072.db2.gz PXDKCIYGHDPYLZ-CRAIPNDOSA-N 2 0 370.497 3.518 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293298 947716030 /nfs/dbraw/zinc/71/60/30/947716030.db2.gz GCVRXOFIEHNVPW-LJQANCHMSA-N 2 0 357.542 3.769 20 0 FHADRP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662297589 947718958 /nfs/dbraw/zinc/71/89/58/947718958.db2.gz RIZRQTBSYLNHBR-IBGZPJMESA-N 2 0 354.498 3.511 20 0 FHADRP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296011 947722191 /nfs/dbraw/zinc/72/21/91/947722191.db2.gz JVRNCTUSSNTEMS-QAPCUYQASA-N 2 0 372.488 3.957 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297271 947723580 /nfs/dbraw/zinc/72/35/80/947723580.db2.gz OXZVURNODCHIOC-DYESRHJHSA-N 2 0 371.569 3.850 20 0 FHADRP CC(C)c1cccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000663314696 947726408 /nfs/dbraw/zinc/72/64/08/947726408.db2.gz TXXAUYIYGBYQPS-QHCPKHFHSA-N 2 0 351.538 3.888 20 0 FHADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313197 947738658 /nfs/dbraw/zinc/73/86/58/947738658.db2.gz GFXKBFZJEVLSCN-GPMSIDNRSA-N 2 0 365.949 3.699 20 0 FHADRP CCc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327836 947758640 /nfs/dbraw/zinc/75/86/40/947758640.db2.gz WSCFJVIXTIIBHE-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP Cc1ccccc1CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327811 947758729 /nfs/dbraw/zinc/75/87/29/947758729.db2.gz VVQYTOAUIBYVAA-UHFFFAOYSA-N 2 0 366.553 3.997 20 0 FHADRP CC[C@H](CC(F)F)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326829 947758768 /nfs/dbraw/zinc/75/87/68/947758768.db2.gz DBAMCZXAZIDHIU-CQSZACIVSA-N 2 0 354.489 3.738 20 0 FHADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662356425 947768340 /nfs/dbraw/zinc/76/83/40/947768340.db2.gz QHNVEVMWQOQLHS-JOCHJYFZSA-N 2 0 363.505 3.523 20 0 FHADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000662370639 947770825 /nfs/dbraw/zinc/77/08/25/947770825.db2.gz FOOYBLZRTDDZPE-JOCHJYFZSA-N 2 0 365.521 3.564 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662463719 947835052 /nfs/dbraw/zinc/83/50/52/947835052.db2.gz GFQMIAPDVIALIC-OAQYLSRUSA-N 2 0 371.569 3.649 20 0 FHADRP CCCC(=O)NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000662466389 947836461 /nfs/dbraw/zinc/83/64/61/947836461.db2.gz ZWYONFWSZIPIRK-UHFFFAOYSA-N 2 0 357.542 3.553 20 0 FHADRP Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663362981 947852244 /nfs/dbraw/zinc/85/22/44/947852244.db2.gz DFGIHXIGSQGZCI-OAQYLSRUSA-N 2 0 352.526 3.915 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662492809 947867963 /nfs/dbraw/zinc/86/79/63/947867963.db2.gz SBUBMXRYDNRNSD-NRFANRHFSA-N 2 0 371.569 3.553 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662502348 947876070 /nfs/dbraw/zinc/87/60/70/947876070.db2.gz JYADZIBJNUQCQQ-FKBYEOEOSA-N 2 0 371.569 3.511 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662526930 947896435 /nfs/dbraw/zinc/89/64/35/947896435.db2.gz NKDXBQRTCOLNNL-KJNZLNQQSA-N 2 0 369.553 3.543 20 0 FHADRP OC1CC[NH+](CCCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000663402209 947961510 /nfs/dbraw/zinc/96/15/10/947961510.db2.gz JPHPMVJRVBCNFX-UHFFFAOYSA-N 2 0 353.388 3.512 20 0 FHADRP COc1cc2cc[nH+]c(N3CCC(C[N@H+](C)C(C)C)CC3)c2cc1OC ZINC000663405205 947967956 /nfs/dbraw/zinc/96/79/56/947967956.db2.gz SZAREXMEHASELT-UHFFFAOYSA-N 2 0 357.498 3.809 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399141702 947999838 /nfs/dbraw/zinc/99/98/38/947999838.db2.gz VIDBXEOEMPMUKT-BZSNNMDCSA-N 2 0 355.567 3.875 20 0 FHADRP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663472230 948068466 /nfs/dbraw/zinc/06/84/66/948068466.db2.gz ZVUGFSKESQUFTL-HGCBZUSOSA-N 2 0 367.537 3.531 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001167822931 948096402 /nfs/dbraw/zinc/09/64/02/948096402.db2.gz BTSIECAXFZJWBS-LJQANCHMSA-N 2 0 358.574 3.933 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001167825066 948117946 /nfs/dbraw/zinc/11/79/46/948117946.db2.gz JSCSMGSQJYSEOL-SFHVURJKSA-N 2 0 350.551 3.524 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001167827519 948151442 /nfs/dbraw/zinc/15/14/42/948151442.db2.gz XERXXRJULFOCIC-KRWDZBQOSA-N 2 0 360.571 3.929 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512004701 948158727 /nfs/dbraw/zinc/15/87/27/948158727.db2.gz BHVZWEARVMFAIT-QWHCGFSZSA-N 2 0 363.365 3.826 20 0 FHADRP CC1CC[NH+](CCC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccc(F)cc2)CC1 ZINC000643538266 948196866 /nfs/dbraw/zinc/19/68/66/948196866.db2.gz CVEDVVVECAYDCW-ACRUOGEOSA-N 2 0 365.512 3.669 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001167833427 948220902 /nfs/dbraw/zinc/22/09/02/948220902.db2.gz BCDCIFMHZPFNSJ-RCCFBDPRSA-N 2 0 355.567 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001167833369 948220921 /nfs/dbraw/zinc/22/09/21/948220921.db2.gz AJTYVMXPDHSBNM-UYAOXDASSA-N 2 0 350.547 3.950 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833405 948223426 /nfs/dbraw/zinc/22/34/26/948223426.db2.gz AYABVCCZXHWWGR-ZWKOTPCHSA-N 2 0 355.567 3.828 20 0 FHADRP Cc1cc(F)cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001143586303 948275027 /nfs/dbraw/zinc/27/50/27/948275027.db2.gz WESDQAQJEIKZIS-FQEVSTJZSA-N 2 0 372.484 3.983 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000473210497 948285890 /nfs/dbraw/zinc/28/58/90/948285890.db2.gz VACTWXZPDUVELO-TYPHKJRUSA-N 2 0 359.558 3.665 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H](C(N)=O)c1ccccc1 ZINC001167836814 948307698 /nfs/dbraw/zinc/30/76/98/948307698.db2.gz HPXTUTHVFYEXKK-CEWLAPEOSA-N 2 0 359.558 3.621 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001167836209 948308897 /nfs/dbraw/zinc/30/88/97/948308897.db2.gz XMRBDDJOPOTHTG-BZSNNMDCSA-N 2 0 353.551 3.581 20 0 FHADRP COc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000512050261 948312872 /nfs/dbraw/zinc/31/28/72/948312872.db2.gz BUFQMQYTYYJRJU-UHFFFAOYSA-N 2 0 355.320 3.668 20 0 FHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409731 948352937 /nfs/dbraw/zinc/35/29/37/948352937.db2.gz IMBZIFBKHKNWRW-CVEARBPZSA-N 2 0 374.447 3.779 20 0 FHADRP O=C(CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1F ZINC000585810778 948354905 /nfs/dbraw/zinc/35/49/05/948354905.db2.gz GTJWVLCECGHGJV-UHFFFAOYSA-N 2 0 369.484 3.930 20 0 FHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414216 948366926 /nfs/dbraw/zinc/36/69/26/948366926.db2.gz JWBSKYANUOGHCC-QAPCUYQASA-N 2 0 369.347 3.991 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000520606533 948380017 /nfs/dbraw/zinc/38/00/17/948380017.db2.gz ZQUGNFNIVWNDHM-GOSISDBHSA-N 2 0 360.546 3.567 20 0 FHADRP Cc1c(C)c(C)c(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C)c1C ZINC001279272115 948630219 /nfs/dbraw/zinc/63/02/19/948630219.db2.gz VRNZLAVSSSXILD-UHFFFAOYSA-N 2 0 357.586 3.688 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000445386488 948735795 /nfs/dbraw/zinc/73/57/95/948735795.db2.gz SQTCAYQNPWFKEJ-IBGZPJMESA-N 2 0 355.570 3.727 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc4ccccc4n3)CC2)C[C@H](C)O1 ZINC000512187361 948737245 /nfs/dbraw/zinc/73/72/45/948737245.db2.gz QAMYUMJAUGAYFN-ROUUACIJSA-N 2 0 353.510 3.556 20 0 FHADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536491944 948740759 /nfs/dbraw/zinc/74/07/59/948740759.db2.gz PJCNDDDKECIFIJ-FQEVSTJZSA-N 2 0 371.569 3.669 20 0 FHADRP CC(C)c1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000130707113 206125143 /nfs/dbraw/zinc/12/51/43/206125143.db2.gz OLURESVSIOXEOF-UHFFFAOYSA-N 2 0 373.585 3.726 20 0 FHADRP COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000602909453 568010831 /nfs/dbraw/zinc/01/08/31/568010831.db2.gz VOHRPCQGLNEBLQ-LJQANCHMSA-N 2 0 368.521 3.891 20 0 FHADRP Fc1ccc2c(c1)nccc2NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000603493118 568107599 /nfs/dbraw/zinc/10/75/99/568107599.db2.gz CKAYFJXBXVQODI-UHFFFAOYSA-N 2 0 350.441 3.608 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Br)cn2)c1 ZINC000603720053 568147689 /nfs/dbraw/zinc/14/76/89/568147689.db2.gz FYPUJTWXPPWBMO-UHFFFAOYSA-N 2 0 362.315 3.974 20 0 FHADRP C[C@H](CN[C@@H](C)c1ncc(Br)cc1F)C[NH+]1CCCCC1 ZINC000187033328 568224044 /nfs/dbraw/zinc/22/40/44/568224044.db2.gz NTQOCWRWCBRQRE-OLZOCXBDSA-N 2 0 358.299 3.756 20 0 FHADRP C[C@@H](CC[NH+]1CCC(OCC2CC2)CC1)[NH+]1CCC(OCC2CC2)CC1 ZINC000431600670 568376608 /nfs/dbraw/zinc/37/66/08/568376608.db2.gz BQIBZERLOXCUGT-SFHVURJKSA-N 2 0 364.574 3.547 20 0 FHADRP Cn1ccnc1CN(Cc1csc2ccccc12)[C@@H]1CC12CC[NH2+]CC2 ZINC000275791411 570725610 /nfs/dbraw/zinc/72/56/10/570725610.db2.gz UHOWXRYVFUPVME-LJQANCHMSA-N 2 0 366.534 3.779 20 0 FHADRP Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c1C ZINC001164904822 721698815 /nfs/dbraw/zinc/69/88/15/721698815.db2.gz GVMLUJFCHZPIOB-FQEVSTJZSA-N 2 0 372.463 3.831 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nccs3)C2)CC1 ZINC000092788848 936334851 /nfs/dbraw/zinc/33/48/51/936334851.db2.gz YPKNSYFSWDQPSY-IBGZPJMESA-N 2 0 370.566 3.665 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)cc1OC ZINC000583033434 936385078 /nfs/dbraw/zinc/38/50/78/936385078.db2.gz CXHPKKCAUUDKRW-AQNXPRMDSA-N 2 0 354.494 3.847 20 0 FHADRP COCc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000123066166 937115276 /nfs/dbraw/zinc/11/52/76/937115276.db2.gz MYALCVVSWTZKKL-UHFFFAOYSA-N 2 0 367.537 3.653 20 0 FHADRP [NH3+]CCCOC1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000579711854 927164656 /nfs/dbraw/zinc/16/46/56/927164656.db2.gz IXQHEAVAVXSWLL-UHFFFAOYSA-N 2 0 374.475 3.927 20 0 FHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1CCCCC1 ZINC000044715222 927290166 /nfs/dbraw/zinc/29/01/66/927290166.db2.gz QXSXWVZOQQSDQB-LJQANCHMSA-N 2 0 371.569 3.668 20 0 FHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654858081 927434035 /nfs/dbraw/zinc/43/40/35/927434035.db2.gz ZHYCPLNAIAKPCH-FQEVSTJZSA-N 2 0 351.494 3.517 20 0 FHADRP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591498 927966912 /nfs/dbraw/zinc/96/69/12/927966912.db2.gz NHCGRHMKTYPHDM-QFBILLFUSA-N 2 0 369.475 3.521 20 0 FHADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC[C@@H](C)CC(C)(C)C)CC2)C1 ZINC001208665937 928376321 /nfs/dbraw/zinc/37/63/21/928376321.db2.gz SUHSFOHJZMVUOR-MSOLQXFVSA-N 2 0 352.563 3.798 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000157700809 928516332 /nfs/dbraw/zinc/51/63/32/928516332.db2.gz KKEJNLRSZMETEO-KDURUIRLSA-N 2 0 363.977 3.763 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000583225799 937255472 /nfs/dbraw/zinc/25/54/72/937255472.db2.gz BZUBLMCDWHHSGA-RBBKRZOGSA-N 2 0 367.537 3.913 20 0 FHADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000583247125 937278453 /nfs/dbraw/zinc/27/84/53/937278453.db2.gz MLGRNHQTRFLRML-CTNGQTDRSA-N 2 0 370.541 3.718 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154494967 928861392 /nfs/dbraw/zinc/86/13/92/928861392.db2.gz UZKFYRZZBUDINL-MSOLQXFVSA-N 2 0 374.598 3.796 20 0 FHADRP C[N@H+](CCC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000547732311 929062399 /nfs/dbraw/zinc/06/23/99/929062399.db2.gz YCOYDTBJZPYDOD-UHFFFAOYSA-N 2 0 371.569 3.764 20 0 FHADRP C[C@@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000547740533 929169246 /nfs/dbraw/zinc/16/92/46/929169246.db2.gz CBWNALJRXIGAPB-UHIMYIODSA-N 2 0 369.597 3.918 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC000180177689 929399874 /nfs/dbraw/zinc/39/98/74/929399874.db2.gz OFEXLNXDWCZOQJ-JOCHJYFZSA-N 2 0 355.501 3.814 20 0 FHADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547757955 929407480 /nfs/dbraw/zinc/40/74/80/929407480.db2.gz OCBIPKOMGCUBBH-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180402998 929495626 /nfs/dbraw/zinc/49/56/26/929495626.db2.gz LGIXUSPTCNBREJ-FQEVSTJZSA-N 2 0 350.572 3.894 20 0 FHADRP Cc1ccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438962 929511294 /nfs/dbraw/zinc/51/12/94/929511294.db2.gz GQYVAGYZXXFCMW-OFNKIYASSA-N 2 0 351.538 3.558 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180441037 929512474 /nfs/dbraw/zinc/51/24/74/929512474.db2.gz AJPAYVDKMOVQEG-TZIWHRDSSA-N 2 0 363.615 3.667 20 0 FHADRP Cc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000180467369 929517879 /nfs/dbraw/zinc/51/78/79/929517879.db2.gz HUGWSNYBUPPMRM-HSZRJFAPSA-N 2 0 351.538 3.702 20 0 FHADRP Cc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000180467387 929517927 /nfs/dbraw/zinc/51/79/27/929517927.db2.gz HUGWSNYBUPPMRM-QHCPKHFHSA-N 2 0 351.538 3.702 20 0 FHADRP Cn1cc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000180534606 929543529 /nfs/dbraw/zinc/54/35/29/929543529.db2.gz VCWMHLDZAWDDHG-OAQYLSRUSA-N 2 0 358.505 3.894 20 0 FHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154955192 929554734 /nfs/dbraw/zinc/55/47/34/929554734.db2.gz LTIGXASTHFVQDC-RTBURBONSA-N 2 0 367.537 3.649 20 0 FHADRP [NH3+]Cc1cnc2c(ccn2-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)c1 ZINC001167311132 929653771 /nfs/dbraw/zinc/65/37/71/929653771.db2.gz CMDAGFJIGMUDIY-UHFFFAOYSA-N 2 0 359.477 3.604 20 0 FHADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000046955976 929671622 /nfs/dbraw/zinc/67/16/22/929671622.db2.gz LSAOKVRKDCHCPV-GOSISDBHSA-N 2 0 372.557 3.914 20 0 FHADRP C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312572961 929695467 /nfs/dbraw/zinc/69/54/67/929695467.db2.gz VCTMBSVMMXPHIK-FXAWDEMLSA-N 2 0 361.489 3.941 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123210620 929896607 /nfs/dbraw/zinc/89/66/07/929896607.db2.gz BJMGYQONWRCKMJ-QGZVFWFLSA-N 2 0 355.526 3.745 20 0 FHADRP FC(F)(F)C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000683721339 929918565 /nfs/dbraw/zinc/91/85/65/929918565.db2.gz SRPOMNXOVCYWDQ-KRWDZBQOSA-N 2 0 356.432 3.936 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162924512 937376415 /nfs/dbraw/zinc/37/64/15/937376415.db2.gz HJRFRNJPFWMBPK-NSYGIPOTSA-N 2 0 356.535 3.871 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000162941631 937383057 /nfs/dbraw/zinc/38/30/57/937383057.db2.gz SHIOJFWVIAUFBM-GOSISDBHSA-N 2 0 361.493 3.714 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000275736152 930072861 /nfs/dbraw/zinc/07/28/61/930072861.db2.gz XYAVKCYHRUTKRR-UHFFFAOYSA-N 2 0 360.546 3.568 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000583378879 937393491 /nfs/dbraw/zinc/39/34/91/937393491.db2.gz RECNSTFAUYLEGB-INIZCTEOSA-N 2 0 369.534 3.550 20 0 FHADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)sc1Cl ZINC000150971316 937417159 /nfs/dbraw/zinc/41/71/59/937417159.db2.gz MQYFGMZCJNRHIY-LLVKDONJSA-N 2 0 350.359 3.732 20 0 FHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc3ccccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000683927893 930639307 /nfs/dbraw/zinc/63/93/07/930639307.db2.gz QAJLLTCUZGHXNF-HSZRJFAPSA-N 2 0 362.521 3.636 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000471587721 930791218 /nfs/dbraw/zinc/79/12/18/930791218.db2.gz VXMLAPDJLKZCNE-YDHSSHFGSA-N 2 0 369.553 3.969 20 0 FHADRP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000656262438 930943706 /nfs/dbraw/zinc/94/37/06/930943706.db2.gz VKBVBLYLOURZCC-HXUWFJFHSA-N 2 0 352.526 3.653 20 0 FHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000684021979 931001704 /nfs/dbraw/zinc/00/17/04/931001704.db2.gz ZXXPLYCAFYJKCK-UHFFFAOYSA-N 2 0 368.569 3.796 20 0 FHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801762 931166256 /nfs/dbraw/zinc/16/62/56/931166256.db2.gz WYSDEHUNVQQQMR-KGLIPLIRSA-N 2 0 357.311 3.839 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000580895044 931310202 /nfs/dbraw/zinc/31/02/02/931310202.db2.gz PGDMEQATRLRSIZ-GHTZIAJQSA-N 2 0 357.542 3.580 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000580968231 931423439 /nfs/dbraw/zinc/42/34/39/931423439.db2.gz GQXOTYUXIKKRIH-UHFFFAOYSA-N 2 0 352.478 3.948 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOCC2CCC2)cc1 ZINC000656407197 931603438 /nfs/dbraw/zinc/60/34/38/931603438.db2.gz REROCAHCTYUNBB-AFXVXQJMSA-N 2 0 354.538 3.646 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+]CCCc3cnccc3C)CC2)cc1 ZINC000581218663 931695155 /nfs/dbraw/zinc/69/51/55/931695155.db2.gz VNYYVMCUTVMUKI-UHFFFAOYSA-N 2 0 367.537 3.833 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578429 931936233 /nfs/dbraw/zinc/93/62/33/931936233.db2.gz PFYRLTRHCWPULL-MSOLQXFVSA-N 2 0 367.537 3.727 20 0 FHADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000430587103 931971946 /nfs/dbraw/zinc/97/19/46/931971946.db2.gz YHBKMTGUVQMYRJ-NRFANRHFSA-N 2 0 351.494 3.662 20 0 FHADRP C[N@H+](Cc1cc(Br)cs1)Cc1cccc2c1CC[NH2+]C2 ZINC000123936590 931978623 /nfs/dbraw/zinc/97/86/23/931978623.db2.gz MARVLEHPQUBFQV-UHFFFAOYSA-N 2 0 351.313 3.788 20 0 FHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000581630612 932351569 /nfs/dbraw/zinc/35/15/69/932351569.db2.gz VTZYAKBVIPBBIE-IBGZPJMESA-N 2 0 355.457 3.723 20 0 FHADRP Cn1c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2sc1=O ZINC000684356369 932368877 /nfs/dbraw/zinc/36/88/77/932368877.db2.gz VPHUYTIFIOHQDP-UHFFFAOYSA-N 2 0 373.566 3.688 20 0 FHADRP c1cc(COc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc2)ccn1 ZINC000656785537 932420697 /nfs/dbraw/zinc/42/06/97/932420697.db2.gz LPQHPCSUBOJGEC-QFIPXVFZSA-N 2 0 365.521 3.872 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(SC)cc1OC ZINC000656786955 932425912 /nfs/dbraw/zinc/42/59/12/932425912.db2.gz YCBHRFNCYUNLBP-INIZCTEOSA-N 2 0 364.555 3.637 20 0 FHADRP c1ccc(COc2ccccc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656785947 932426121 /nfs/dbraw/zinc/42/61/21/932426121.db2.gz NROBSGBEBBVRPV-HXUWFJFHSA-N 2 0 365.521 3.872 20 0 FHADRP CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](C)C(=O)OC)C2 ZINC001279517709 932628755 /nfs/dbraw/zinc/62/87/55/932628755.db2.gz OJAIHBIXCWXABO-ZJOUEHCJSA-N 2 0 352.563 3.800 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000581882758 932831150 /nfs/dbraw/zinc/83/11/50/932831150.db2.gz NEWCPOJZZCLEIH-IXDOHACOSA-N 2 0 367.493 3.568 20 0 FHADRP Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408341 932876866 /nfs/dbraw/zinc/87/68/66/932876866.db2.gz SZHFBRHCBBUEGH-KGLIPLIRSA-N 2 0 362.518 3.754 20 0 FHADRP Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408338 932881621 /nfs/dbraw/zinc/88/16/21/932881621.db2.gz SZHFBRHCBBUEGH-KBPBESRZSA-N 2 0 362.518 3.754 20 0 FHADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963946 933125804 /nfs/dbraw/zinc/12/58/04/933125804.db2.gz SUXCAIFNPMRIHC-PXNSSMCTSA-N 2 0 369.509 3.735 20 0 FHADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963947 933126096 /nfs/dbraw/zinc/12/60/96/933126096.db2.gz SUXCAIFNPMRIHC-XLIONFOSSA-N 2 0 369.509 3.735 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000426295081 933172313 /nfs/dbraw/zinc/17/23/13/933172313.db2.gz MCLBSUWAOFWONL-WBVHZDCISA-N 2 0 350.576 3.837 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CCSCc1ccccc1 ZINC000430755565 933208690 /nfs/dbraw/zinc/20/86/90/933208690.db2.gz IULQCIMFRIICMI-JOCHJYFZSA-N 2 0 370.562 3.666 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)s1 ZINC000426306794 933231318 /nfs/dbraw/zinc/23/13/18/933231318.db2.gz LNDSUSFTNZKLMH-WBVHZDCISA-N 2 0 350.576 3.837 20 0 FHADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[C@H]1c1cccs1 ZINC000430812229 933247270 /nfs/dbraw/zinc/24/72/70/933247270.db2.gz VCFBTMRXMWLFKC-VXNCWWDNSA-N 2 0 363.571 3.545 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000548389239 933299055 /nfs/dbraw/zinc/29/90/55/933299055.db2.gz SUFOHYVOVKQVBU-UHFFFAOYSA-N 2 0 359.558 3.799 20 0 FHADRP COc1ccc(-n2c(C[NH+]3CCC([C@H](C)[NH3+])CC3)nc3ccccc32)cc1 ZINC000430917138 933411585 /nfs/dbraw/zinc/41/15/85/933411585.db2.gz CKLCZSGXVCUSGS-INIZCTEOSA-N 2 0 364.493 3.593 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000510701348 933458191 /nfs/dbraw/zinc/45/81/91/933458191.db2.gz HNSUVANSSMKIKL-LPTQZCDUSA-N 2 0 366.496 3.643 20 0 FHADRP Cc1cccc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510712772 933488738 /nfs/dbraw/zinc/48/87/38/933488738.db2.gz IQDFPDSYNVODNU-AUSIDOKSSA-N 2 0 369.528 3.697 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000430958816 933498184 /nfs/dbraw/zinc/49/81/84/933498184.db2.gz UNIGHHYDTBOGAT-GFCCVEGCSA-N 2 0 364.287 3.663 20 0 FHADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000431061985 933763829 /nfs/dbraw/zinc/76/38/29/933763829.db2.gz YVDXWXJLNWLXQV-PGRDOPGGSA-N 2 0 365.521 3.990 20 0 FHADRP CCC[NH+]1CCC(N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092165660 933970595 /nfs/dbraw/zinc/97/05/95/933970595.db2.gz LHNNUTHFYNJALV-UHFFFAOYSA-N 2 0 372.601 3.523 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132382458 934044460 /nfs/dbraw/zinc/04/44/60/934044460.db2.gz GDLGQEILQXNPRJ-NVXWUHKLSA-N 2 0 366.619 3.672 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@H](C)O1 ZINC000092587527 934100037 /nfs/dbraw/zinc/10/00/37/934100037.db2.gz XANZVZBQCWZZAZ-HOTGVXAUSA-N 2 0 363.571 3.732 20 0 FHADRP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc(Cl)c1OC ZINC000093688491 934165282 /nfs/dbraw/zinc/16/52/82/934165282.db2.gz AAVQCDZMVXPTCY-UHFFFAOYSA-N 2 0 354.922 3.911 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960858 934227682 /nfs/dbraw/zinc/22/76/82/934227682.db2.gz KSCCOCAEHPGKLK-KSSFIOAISA-N 2 0 367.331 3.527 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799768 934426159 /nfs/dbraw/zinc/42/61/59/934426159.db2.gz QCTKCWSUHCNFKE-BBRMVZONSA-N 2 0 372.294 3.674 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000236633940 934755830 /nfs/dbraw/zinc/75/58/30/934755830.db2.gz ODLANPDOQVYRKI-LJQANCHMSA-N 2 0 371.569 3.561 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014776 934891764 /nfs/dbraw/zinc/89/17/64/934891764.db2.gz XSDNKAMALUJUOV-VQTJNVASSA-N 2 0 371.569 3.655 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236876464 934921233 /nfs/dbraw/zinc/92/12/33/934921233.db2.gz PMBJZXUKJWMOAZ-LAUBAEHRSA-N 2 0 369.509 3.682 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000431325502 935052656 /nfs/dbraw/zinc/05/26/56/935052656.db2.gz HMMIPXFCTUNKBD-FGZHOGPDSA-N 2 0 373.585 3.885 20 0 FHADRP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000892127261 935070711 /nfs/dbraw/zinc/07/07/11/935070711.db2.gz PHMDUOLZMFCJJK-HXUWFJFHSA-N 2 0 372.557 3.517 20 0 FHADRP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537970685 935073090 /nfs/dbraw/zinc/07/30/90/935073090.db2.gz HJQSDFUFWJGKGI-LJQANCHMSA-N 2 0 357.542 3.737 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657313935 935131683 /nfs/dbraw/zinc/13/16/83/935131683.db2.gz XPPRHPUKSQJWLU-QZTJIDSGSA-N 2 0 352.526 3.597 20 0 FHADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC1(N3CCCC3)CCOCC1)CCC2 ZINC000431336748 935144987 /nfs/dbraw/zinc/14/49/87/935144987.db2.gz FNDHNUJGLWZZMG-OAQYLSRUSA-N 2 0 370.537 3.624 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)c1 ZINC000657315702 935156978 /nfs/dbraw/zinc/15/69/78/935156978.db2.gz QYNATLRNMQEVKT-UHFFFAOYSA-N 2 0 368.399 3.657 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000157851177 935211661 /nfs/dbraw/zinc/21/16/61/935211661.db2.gz HPVGKFOVAHSSJZ-MSOLQXFVSA-N 2 0 359.514 3.948 20 0 FHADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566230157 935232863 /nfs/dbraw/zinc/23/28/63/935232863.db2.gz MCQNYSNEJRUDPM-LBPRGKRZSA-N 2 0 351.263 3.768 20 0 FHADRP C[C@@H](Cc1ccsc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544024233 935251565 /nfs/dbraw/zinc/25/15/65/935251565.db2.gz WDWDNZBMYDPXMW-OKZBNKHCSA-N 2 0 350.572 3.890 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000657337054 935261601 /nfs/dbraw/zinc/26/16/01/935261601.db2.gz GVXGWSQXJGKBCM-UHFFFAOYSA-N 2 0 352.526 3.963 20 0 FHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(C4CCCC4)c3)CC2)CC1 ZINC000657337732 935266650 /nfs/dbraw/zinc/26/66/50/935266650.db2.gz IDAFJVNPCQYMTM-UHFFFAOYSA-N 2 0 355.570 3.992 20 0 FHADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC000439916734 945089133 /nfs/dbraw/zinc/08/91/33/945089133.db2.gz GEWHOZUEZRFNJJ-IBGZPJMESA-N 2 0 369.553 3.675 20 0 FHADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)c1 ZINC000657350243 935314832 /nfs/dbraw/zinc/31/48/32/935314832.db2.gz RGMOEZQXTAUSBZ-UHFFFAOYSA-N 2 0 368.521 3.640 20 0 FHADRP COCc1csc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000657357010 935332474 /nfs/dbraw/zinc/33/24/74/935332474.db2.gz KUQNJTFKOCMXKO-UHFFFAOYSA-N 2 0 360.523 3.659 20 0 FHADRP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657354662 935335008 /nfs/dbraw/zinc/33/50/08/935335008.db2.gz UXRCBZVXPVIJAY-INIZCTEOSA-N 2 0 368.506 3.794 20 0 FHADRP CC(C)CN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000413458739 935400369 /nfs/dbraw/zinc/40/03/69/935400369.db2.gz RLTNQRPYYVBLPG-UHFFFAOYSA-N 2 0 371.569 3.865 20 0 FHADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719409 935480384 /nfs/dbraw/zinc/48/03/84/935480384.db2.gz AARNVTJOZLTWOB-PZJWPPBQSA-N 2 0 371.569 3.668 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1CC[NH2+]CC1 ZINC000582295324 935499536 /nfs/dbraw/zinc/49/95/36/935499536.db2.gz YMBJHRAQZCLEMZ-QGZVFWFLSA-N 2 0 362.315 3.897 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]Cc3c(C(F)(F)F)cnn3C)CC2)CC1 ZINC000657416118 935637986 /nfs/dbraw/zinc/63/79/86/935637986.db2.gz RAQVAQRJLRTZPA-UHFFFAOYSA-N 2 0 358.452 3.572 20 0 FHADRP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000582431975 935695674 /nfs/dbraw/zinc/69/56/74/935695674.db2.gz XLQXEENTHLLFPX-IBGZPJMESA-N 2 0 361.549 3.543 20 0 FHADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000582435308 935698974 /nfs/dbraw/zinc/69/89/74/935698974.db2.gz JLGDZMAGXLXWFO-HNNXBMFYSA-N 2 0 372.294 3.501 20 0 FHADRP CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000657431712 935717969 /nfs/dbraw/zinc/71/79/69/935717969.db2.gz JLFSEONLQZLXBG-JOCHJYFZSA-N 2 0 368.521 3.640 20 0 FHADRP CN(c1ccccc1C[NH2+]CCc1ccccc1F)C1CC[NH+](C)CC1 ZINC000132757224 935734014 /nfs/dbraw/zinc/73/40/14/935734014.db2.gz IZHCTKVIQFTNBW-UHFFFAOYSA-N 2 0 355.501 3.688 20 0 FHADRP [NH3+][C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000653252952 935743717 /nfs/dbraw/zinc/74/37/17/935743717.db2.gz AIQAZGJOAYGNBU-IBGZPJMESA-N 2 0 355.507 3.513 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161287071 935758195 /nfs/dbraw/zinc/75/81/95/935758195.db2.gz WFKCULRCGMXQJE-SFHVURJKSA-N 2 0 358.526 3.836 20 0 FHADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000548739998 935800735 /nfs/dbraw/zinc/80/07/35/935800735.db2.gz OTWQLECSBJESLU-UHFFFAOYSA-N 2 0 365.521 3.664 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000159180175 935808074 /nfs/dbraw/zinc/80/80/74/935808074.db2.gz AYBIAZWPNWCROC-OAHLLOKOSA-N 2 0 352.544 3.569 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)C[C@@H](C)O1 ZINC000684953751 935898621 /nfs/dbraw/zinc/89/86/21/935898621.db2.gz KHINIZBSFBAMLS-JBYIUTFZSA-N 2 0 365.521 3.858 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(C)C)CC1 ZINC000582672335 935927183 /nfs/dbraw/zinc/92/71/83/935927183.db2.gz JQVNPWFARMABQS-JOCHJYFZSA-N 2 0 371.569 3.586 20 0 FHADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)C34CCC[NH+]3CCC4)ccc21 ZINC001125618393 935965949 /nfs/dbraw/zinc/96/59/49/935965949.db2.gz APGRSBOCSTXIGN-UHFFFAOYSA-N 2 0 368.525 3.550 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000237475539 936074992 /nfs/dbraw/zinc/07/49/92/936074992.db2.gz BZJDEHLTROZXLF-RTBURBONSA-N 2 0 371.569 3.561 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)cc2)C1 ZINC000657596572 936080154 /nfs/dbraw/zinc/08/01/54/936080154.db2.gz OLCHDXGGFDFEAD-QHCPKHFHSA-N 2 0 373.500 3.605 20 0 FHADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc2cccnc12 ZINC000657613197 936093895 /nfs/dbraw/zinc/09/38/95/936093895.db2.gz IASFUHPDMOISOQ-UHFFFAOYSA-N 2 0 360.505 3.940 20 0 FHADRP Fc1cc2cccnc2c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613932 936100687 /nfs/dbraw/zinc/10/06/87/936100687.db2.gz XMSAVGBVESBJGO-UHFFFAOYSA-N 2 0 364.468 3.771 20 0 FHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1c[nH+]c2cc(Br)ccn21 ZINC001167624564 936184865 /nfs/dbraw/zinc/18/48/65/936184865.db2.gz AVRPIQSFKKPKAQ-UHFFFAOYSA-N 2 0 351.292 3.582 20 0 FHADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)cc1F ZINC000582840877 936201932 /nfs/dbraw/zinc/20/19/32/936201932.db2.gz OPZWVSXZKAAJRN-JOCHJYFZSA-N 2 0 366.480 3.734 20 0 FHADRP C[C@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC[NH2+]CC1 ZINC000237677119 936204768 /nfs/dbraw/zinc/20/47/68/936204768.db2.gz WXMJSFKCIFIYQS-LJQANCHMSA-N 2 0 371.569 3.705 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237707357 936218619 /nfs/dbraw/zinc/21/86/19/936218619.db2.gz DYURJJQKQZEXBX-OALUTQOASA-N 2 0 371.569 3.561 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1NC(C)=O ZINC000120950933 936274468 /nfs/dbraw/zinc/27/44/68/936274468.db2.gz MVNMDVJVCHIUNY-CQSZACIVSA-N 2 0 373.472 3.705 20 0 FHADRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001280244663 945159863 /nfs/dbraw/zinc/15/98/63/945159863.db2.gz YORBWMURNKBPKI-IBGZPJMESA-N 2 0 365.606 3.715 20 0 FHADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000583469778 938263991 /nfs/dbraw/zinc/26/39/91/938263991.db2.gz DLMKFZUHARBFBK-YJMBLLCNSA-N 2 0 372.553 3.856 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)C1 ZINC000650706831 938288463 /nfs/dbraw/zinc/28/84/63/938288463.db2.gz TYRRFWVRRUSKLC-UNEWFSDZSA-N 2 0 363.552 3.590 20 0 FHADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717918 938304764 /nfs/dbraw/zinc/30/47/64/938304764.db2.gz QVPXFRYBADIHBD-ZDUSSCGKSA-N 2 0 352.400 3.997 20 0 FHADRP CCO[C@@H](CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000151057408 938308991 /nfs/dbraw/zinc/30/89/91/938308991.db2.gz GOZSHXDNHQFGLG-QFIPXVFZSA-N 2 0 361.574 3.758 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000650722228 938309659 /nfs/dbraw/zinc/30/96/59/938309659.db2.gz NOJWXLYHOAHTFG-UHFFFAOYSA-N 2 0 360.933 3.762 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cs2)cc1 ZINC000650722979 938310110 /nfs/dbraw/zinc/31/01/10/938310110.db2.gz FPFPQNFAYLLHKY-MISYRCLQSA-N 2 0 371.550 3.979 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(Cl)c1OC ZINC000583592071 938311263 /nfs/dbraw/zinc/31/12/63/938311263.db2.gz QSHWZYNDTYYFCZ-INIZCTEOSA-N 2 0 352.906 3.521 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000519155845 945164048 /nfs/dbraw/zinc/16/40/48/945164048.db2.gz SYQPLROYLYZRKF-UHFFFAOYSA-N 2 0 356.420 3.516 20 0 FHADRP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1O ZINC000657772984 938314346 /nfs/dbraw/zinc/31/43/46/938314346.db2.gz YLXPPMWJIKYSLW-HXUWFJFHSA-N 2 0 366.505 3.793 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630198 938326174 /nfs/dbraw/zinc/32/61/74/938326174.db2.gz MYJVYBSWQREMJV-UNMCSNQZSA-N 2 0 353.554 3.790 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000728571808 938332927 /nfs/dbraw/zinc/33/29/27/938332927.db2.gz LINGVSXQIHAASO-GOSISDBHSA-N 2 0 358.448 3.791 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000246169659 938343640 /nfs/dbraw/zinc/34/36/40/938343640.db2.gz BCLADHFYLCYTEV-ROUUACIJSA-N 2 0 357.542 3.883 20 0 FHADRP C[C@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000246304774 938359087 /nfs/dbraw/zinc/35/90/87/938359087.db2.gz OGGQEDBCTLXINP-DYXWJJEUSA-N 2 0 371.569 3.792 20 0 FHADRP CO[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000536112827 938376953 /nfs/dbraw/zinc/37/69/53/938376953.db2.gz OHDUEXJKKZFBLE-OAQYLSRUSA-N 2 0 373.928 3.569 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415007889 945172799 /nfs/dbraw/zinc/17/27/99/945172799.db2.gz RVRZGFYASDCQPS-QAPCUYQASA-N 2 0 366.431 3.557 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000650758671 938425967 /nfs/dbraw/zinc/42/59/67/938425967.db2.gz VIEMHYSXEUPOJZ-OAHLLOKOSA-N 2 0 352.482 3.541 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828238 938433882 /nfs/dbraw/zinc/43/38/82/938433882.db2.gz RPRIJSPHAPURAL-XHSDSOJGSA-N 2 0 372.431 3.599 20 0 FHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000650763292 938448843 /nfs/dbraw/zinc/44/88/43/938448843.db2.gz XCSLWQIEMLGXDV-VQIMIIECSA-N 2 0 364.505 3.814 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152681416 938454508 /nfs/dbraw/zinc/45/45/08/938454508.db2.gz CEVSRLFNEIXCII-UHFFFAOYSA-N 2 0 365.521 3.968 20 0 FHADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000516713430 945177491 /nfs/dbraw/zinc/17/74/91/945177491.db2.gz VFVVYTRGNFAOLJ-UHFFFAOYSA-N 2 0 364.603 3.697 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538271 945179750 /nfs/dbraw/zinc/17/97/50/945179750.db2.gz NSGKJOWLLBLZDS-FGTMMUONSA-N 2 0 358.448 3.632 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812635 938511647 /nfs/dbraw/zinc/51/16/47/938511647.db2.gz VGRQFDWBVYDEJT-UHFFFAOYSA-N 2 0 365.521 3.872 20 0 FHADRP Fc1cc(Br)cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657813898 938529799 /nfs/dbraw/zinc/52/97/99/938529799.db2.gz DNJPHQTYFYZTQU-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)CC1 ZINC000132751350 938539324 /nfs/dbraw/zinc/53/93/24/938539324.db2.gz KJFAITQNCMDLLK-HXUWFJFHSA-N 2 0 356.535 3.872 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000584108215 938600793 /nfs/dbraw/zinc/60/07/93/938600793.db2.gz RTOBDIZMVBOIHD-QFBILLFUSA-N 2 0 372.538 3.720 20 0 FHADRP NC1(C[NH2+]Cc2ccc(C(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000584160570 938625184 /nfs/dbraw/zinc/62/51/84/938625184.db2.gz WKTFFPFNGSTTMY-UHFFFAOYSA-N 2 0 359.464 3.707 20 0 FHADRP Cc1cnccc1OC1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000278657113 938627331 /nfs/dbraw/zinc/62/73/31/938627331.db2.gz KFXQRCVNEQRZMB-UHFFFAOYSA-N 2 0 365.481 3.759 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302092 938677488 /nfs/dbraw/zinc/67/74/88/938677488.db2.gz RYOZKHSTTYNDMM-LULLPPNCSA-N 2 0 369.475 3.948 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000657837928 938680257 /nfs/dbraw/zinc/68/02/57/938680257.db2.gz XOQPWLKKBQJSQY-LPHOPBHVSA-N 2 0 371.491 3.642 20 0 FHADRP CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000708503654 938692344 /nfs/dbraw/zinc/69/23/44/938692344.db2.gz KAHQNOBANSBBMF-NQIIRXRSSA-N 2 0 368.521 3.952 20 0 FHADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC3CC[NH+](CCO)CC3)cs2)cs1 ZINC000151838261 938698732 /nfs/dbraw/zinc/69/87/32/938698732.db2.gz TZQZLARIEMZNNC-ZDUSSCGKSA-N 2 0 365.568 3.535 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657841344 938702106 /nfs/dbraw/zinc/70/21/06/938702106.db2.gz PEQWLBFZAFSQMJ-GOSISDBHSA-N 2 0 367.528 3.854 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000151853809 938716716 /nfs/dbraw/zinc/71/67/16/938716716.db2.gz KYWJMVKMNYMEHC-SFHVURJKSA-N 2 0 354.494 3.834 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000151853882 938779192 /nfs/dbraw/zinc/77/91/92/938779192.db2.gz KYWJMVKMNYMEHC-GOSISDBHSA-N 2 0 354.494 3.834 20 0 FHADRP CCOC1CCC([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000657858988 938865229 /nfs/dbraw/zinc/86/52/29/938865229.db2.gz NZSZIZGPHFNYAT-UHFFFAOYSA-N 2 0 360.542 3.845 20 0 FHADRP Brc1ccc(OCC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000089516700 938865344 /nfs/dbraw/zinc/86/53/44/938865344.db2.gz JQXMSCVFUGNCCU-UHFFFAOYSA-N 2 0 367.331 3.825 20 0 FHADRP FC(F)Oc1c(Br)cccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414966525 945211732 /nfs/dbraw/zinc/21/17/32/945211732.db2.gz GNEACFTTZWFSSZ-GFCCVEGCSA-N 2 0 363.246 3.672 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090708794 938881938 /nfs/dbraw/zinc/88/19/38/938881938.db2.gz JJJDXXCTNGHUTH-IEBWSBKVSA-N 2 0 370.566 3.612 20 0 FHADRP CCc1ccc([C@@H](CO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844220 938883521 /nfs/dbraw/zinc/88/35/21/938883521.db2.gz PBSYWDRGKHNLES-VGOFRKELSA-N 2 0 356.510 3.574 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000657861036 938883814 /nfs/dbraw/zinc/88/38/14/938883814.db2.gz OAAYEASXMLHTPO-QHCPKHFHSA-N 2 0 374.569 3.984 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541156 938903265 /nfs/dbraw/zinc/90/32/65/938903265.db2.gz IKDPKBUVZMEBAV-GCJKJVERSA-N 2 0 360.505 3.934 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541160 938903447 /nfs/dbraw/zinc/90/34/47/938903447.db2.gz IKDPKBUVZMEBAV-XMSQKQJNSA-N 2 0 360.505 3.934 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000143605939 938950126 /nfs/dbraw/zinc/95/01/26/938950126.db2.gz FKCDJJRSYMZIQA-IBGZPJMESA-N 2 0 371.550 3.767 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000431565473 938973929 /nfs/dbraw/zinc/97/39/29/938973929.db2.gz PSUXCAJSNARABH-FCHUYYIVSA-N 2 0 365.521 3.633 20 0 FHADRP O[C@H]1CC[N@@H+](C2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000668740970 938976520 /nfs/dbraw/zinc/97/65/20/938976520.db2.gz YSPXBAJPIHVERT-IBGZPJMESA-N 2 0 370.459 3.559 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000657887867 938981943 /nfs/dbraw/zinc/98/19/43/938981943.db2.gz MUGJSXJTONDETP-XMSQKQJNSA-N 2 0 360.542 3.633 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH+](C)C ZINC000151945547 938992460 /nfs/dbraw/zinc/99/24/60/938992460.db2.gz KADZJCUYDPGQDT-LLVKDONJSA-N 2 0 365.827 3.617 20 0 FHADRP CCCO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093317763 938993491 /nfs/dbraw/zinc/99/34/91/938993491.db2.gz PBJSGDVWKBJQPA-NRFANRHFSA-N 2 0 360.542 3.942 20 0 FHADRP C[NH+](C)Cc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000511320623 939014017 /nfs/dbraw/zinc/01/40/17/939014017.db2.gz NPFCERGJSBLXHA-UHFFFAOYSA-N 2 0 369.534 3.549 20 0 FHADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069645 939021766 /nfs/dbraw/zinc/02/17/66/939021766.db2.gz PXLPSYMRRPCYDF-HNNXBMFYSA-N 2 0 366.933 3.890 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000507400806 945221474 /nfs/dbraw/zinc/22/14/74/945221474.db2.gz KEONCCAZIAOWLD-MRXNPFEDSA-N 2 0 355.295 3.897 20 0 FHADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658141476 939034844 /nfs/dbraw/zinc/03/48/44/939034844.db2.gz BMNPHESFYWAYEP-DYESRHJHSA-N 2 0 354.494 3.503 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)C1 ZINC000658142217 939036140 /nfs/dbraw/zinc/03/61/40/939036140.db2.gz DNQOUMDXGSQJNA-QUCCMNQESA-N 2 0 354.519 3.580 20 0 FHADRP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C(C)C)cc1 ZINC000658137631 939041000 /nfs/dbraw/zinc/04/10/00/939041000.db2.gz KUCWNZQEWBOTKH-JTHBVZDNSA-N 2 0 368.521 3.749 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2ccncc2s1 ZINC000658139044 939041343 /nfs/dbraw/zinc/04/13/43/939041343.db2.gz QCSCWGYZDPAVBP-HNAYVOBHSA-N 2 0 367.518 3.714 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658138187 939042445 /nfs/dbraw/zinc/04/24/45/939042445.db2.gz NBPVHTDGKWOCQJ-FCHUYYIVSA-N 2 0 353.510 3.525 20 0 FHADRP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CCC2)o1 ZINC000658140914 939043395 /nfs/dbraw/zinc/04/33/95/939043395.db2.gz VXVGJQVPUIXKTH-IFMALSPDSA-N 2 0 354.494 3.786 20 0 FHADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163744 939052084 /nfs/dbraw/zinc/05/20/84/939052084.db2.gz AKPWVBMKNZVPRE-QFIPXVFZSA-N 2 0 350.510 3.830 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cnn1C(C)(C)C ZINC000658165754 939053355 /nfs/dbraw/zinc/05/33/55/939053355.db2.gz LJMFOZJMSAKRNL-KRWDZBQOSA-N 2 0 369.557 3.904 20 0 FHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccc1F ZINC000658166277 939054359 /nfs/dbraw/zinc/05/43/59/939054359.db2.gz NNNDIDJGPNWMEE-INIZCTEOSA-N 2 0 357.473 3.792 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658236836 939078397 /nfs/dbraw/zinc/07/83/97/939078397.db2.gz XOGANSJHXCPFFA-JBJBFBLISA-N 2 0 366.553 3.632 20 0 FHADRP CNC(=O)CC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCCCC1 ZINC000658303580 939095415 /nfs/dbraw/zinc/09/54/15/939095415.db2.gz BRTWIYNJVJZDTC-UYAOXDASSA-N 2 0 363.590 3.706 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658317449 939109749 /nfs/dbraw/zinc/10/97/49/939109749.db2.gz LCLVVIXZVOHAET-LDVJMBRRSA-N 2 0 367.581 3.751 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nsc3ccccc23)[C@H](C)C1 ZINC000658318862 939110312 /nfs/dbraw/zinc/11/03/12/939110312.db2.gz TURNBKNTDTUTIY-SJLPKXTDSA-N 2 0 361.555 3.565 20 0 FHADRP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658318657 939110736 /nfs/dbraw/zinc/11/07/36/939110736.db2.gz RLZYJGXXFRZCPN-VQTJNVASSA-N 2 0 350.510 3.610 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)CC3 ZINC000658357098 939125267 /nfs/dbraw/zinc/12/52/67/939125267.db2.gz QUITUPGRHVYFIC-SFHVURJKSA-N 2 0 367.537 3.745 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000658357141 939125676 /nfs/dbraw/zinc/12/56/76/939125676.db2.gz RLUKSVUZTSEMKZ-CQSZACIVSA-N 2 0 360.933 3.999 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686504 939136015 /nfs/dbraw/zinc/13/60/15/939136015.db2.gz RIXAVWOCMAEULS-QPPBQGQZSA-N 2 0 371.613 3.993 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414970277 945246679 /nfs/dbraw/zinc/24/66/79/945246679.db2.gz HKQZRHUCOPWERU-ZWKOTPCHSA-N 2 0 370.459 3.947 20 0 FHADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414901939 945250132 /nfs/dbraw/zinc/25/01/32/945250132.db2.gz GRAYWQDODKWKLH-HXUWFJFHSA-N 2 0 360.523 3.815 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507488330 945274810 /nfs/dbraw/zinc/27/48/10/945274810.db2.gz UHUQNJKVBPBHGJ-YCAMKHIRSA-N 2 0 364.533 3.783 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CC[NH2+]CC1 ZINC000164587863 939875787 /nfs/dbraw/zinc/87/57/87/939875787.db2.gz ZHJPFVVZHGGCBN-RTBURBONSA-N 2 0 371.569 3.703 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548909387 939943845 /nfs/dbraw/zinc/94/38/45/939943845.db2.gz KAOCDTHFUOLIRO-MRXNPFEDSA-N 2 0 374.447 3.846 20 0 FHADRP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000177340535 940126187 /nfs/dbraw/zinc/12/61/87/940126187.db2.gz IVTZGVGATYUKPJ-FQEVSTJZSA-N 2 0 373.541 3.640 20 0 FHADRP COc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc2c1OCCO2 ZINC000065976653 940134330 /nfs/dbraw/zinc/13/43/30/940134330.db2.gz VPAPLPHMIUCFLL-UHFFFAOYSA-N 2 0 370.493 3.596 20 0 FHADRP C[NH+](C)C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507526211 945302902 /nfs/dbraw/zinc/30/29/02/945302902.db2.gz LKWNBYIRLRAFQE-QPXUXIHVSA-N 2 0 363.549 3.790 20 0 FHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCO[C@@H]3CCCCO3)C2)s1 ZINC000570401337 940289476 /nfs/dbraw/zinc/28/94/76/940289476.db2.gz PBWJDEXPSRMBNA-UYAOXDASSA-N 2 0 366.571 3.744 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000584504856 940322915 /nfs/dbraw/zinc/32/29/15/940322915.db2.gz UVUHJQRRAKZFNZ-KRWDZBQOSA-N 2 0 367.331 3.984 20 0 FHADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981451 940427163 /nfs/dbraw/zinc/42/71/63/940427163.db2.gz TWDKLOHYCLJLPO-IBGZPJMESA-N 2 0 354.542 3.853 20 0 FHADRP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)c2ccccc2C1 ZINC000376182614 940431619 /nfs/dbraw/zinc/43/16/19/940431619.db2.gz SEPXCYFVCNKEGU-QFIPXVFZSA-N 2 0 357.542 3.724 20 0 FHADRP C[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000472503097 940445651 /nfs/dbraw/zinc/44/56/51/940445651.db2.gz RVSDZFNBVAPBOF-VAMGGRTRSA-N 2 0 371.569 3.524 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000414059421 940468379 /nfs/dbraw/zinc/46/83/79/940468379.db2.gz IOEQCIBKADBRFM-XLIONFOSSA-N 2 0 372.582 3.733 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414068457 940477442 /nfs/dbraw/zinc/47/74/42/940477442.db2.gz BBGJFDNGHQOGSN-UYAOXDASSA-N 2 0 350.934 3.660 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760563 940478724 /nfs/dbraw/zinc/47/87/24/940478724.db2.gz XLUXEFMJMQLKTA-SIKLNZKXSA-N 2 0 371.569 3.799 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)c1 ZINC000414083065 940486895 /nfs/dbraw/zinc/48/68/95/940486895.db2.gz GBGNPPDVJAZVHP-GOSISDBHSA-N 2 0 368.521 3.811 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449074797 940497118 /nfs/dbraw/zinc/49/71/18/940497118.db2.gz CMNUEZPLVJYEJH-UHFFFAOYSA-N 2 0 350.359 3.562 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100869 940504484 /nfs/dbraw/zinc/50/44/84/940504484.db2.gz LOMQGKLAEWISNF-WSTZPKSXSA-N 2 0 352.526 3.781 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122364 940619594 /nfs/dbraw/zinc/61/95/94/940619594.db2.gz NWHUSYSQSFIEIR-PZJWPPBQSA-N 2 0 363.977 3.983 20 0 FHADRP CC[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000515409694 940656476 /nfs/dbraw/zinc/65/64/76/940656476.db2.gz GGPKZKJBVDGKKO-UHFFFAOYSA-N 2 0 354.420 3.529 20 0 FHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184867 940726838 /nfs/dbraw/zinc/72/68/38/940726838.db2.gz OOZLWACMNMDXKO-KGLIPLIRSA-N 2 0 372.294 3.674 20 0 FHADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000171128016 940737385 /nfs/dbraw/zinc/73/73/85/940737385.db2.gz OJPUEBQSAWEIFV-NRFANRHFSA-N 2 0 357.929 3.657 20 0 FHADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000414195898 940744890 /nfs/dbraw/zinc/74/48/90/940744890.db2.gz VDXADMGORSAGAY-KGLIPLIRSA-N 2 0 372.294 3.674 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221432 940792109 /nfs/dbraw/zinc/79/21/09/940792109.db2.gz KWWXSFIBFFHUSS-BPCBYJRWSA-N 2 0 350.506 3.799 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414221906 940792796 /nfs/dbraw/zinc/79/27/96/940792796.db2.gz NDCYVZMYKIKHQD-HVETUWLQSA-N 2 0 354.494 3.590 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000892567620 940798314 /nfs/dbraw/zinc/79/83/14/940798314.db2.gz DOFWBRAMHDRULV-QGZVFWFLSA-N 2 0 351.494 3.931 20 0 FHADRP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H](CC)c1ccncc1 ZINC000414266864 940864996 /nfs/dbraw/zinc/86/49/96/940864996.db2.gz MNKQGBGRWGAQIC-YPAWHYETSA-N 2 0 353.510 3.659 20 0 FHADRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000414294435 940908877 /nfs/dbraw/zinc/90/88/77/940908877.db2.gz CHJZJXZUDMDUGO-OAQYLSRUSA-N 2 0 371.500 3.535 20 0 FHADRP OC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414303021 940921262 /nfs/dbraw/zinc/92/12/62/940921262.db2.gz LFTOMFHKXKIUAO-JOCHJYFZSA-N 2 0 368.496 3.820 20 0 FHADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414304228 940923367 /nfs/dbraw/zinc/92/33/67/940923367.db2.gz LZNPEBNQKTXLDW-HXUWFJFHSA-N 2 0 352.522 3.543 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414305035 940931944 /nfs/dbraw/zinc/93/19/44/940931944.db2.gz YEKMWFHIFLJTFR-GHTZIAJQSA-N 2 0 370.512 3.587 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414305044 940932160 /nfs/dbraw/zinc/93/21/60/940932160.db2.gz YEKMWFHIFLJTFR-WIYYLYMNSA-N 2 0 370.512 3.587 20 0 FHADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311456 940942852 /nfs/dbraw/zinc/94/28/52/940942852.db2.gz VARSNTAQIITCBA-HTAPYJJXSA-N 2 0 368.496 3.676 20 0 FHADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414328772 940979809 /nfs/dbraw/zinc/97/98/09/940979809.db2.gz QBPOAXGYHZEJRV-YADHBBJMSA-N 2 0 371.569 3.688 20 0 FHADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336471 940994847 /nfs/dbraw/zinc/99/48/47/940994847.db2.gz ZKWAKXCANYGPQA-UCNVEGJOSA-N 2 0 371.569 3.688 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H](C)C1 ZINC000414343799 941009292 /nfs/dbraw/zinc/00/92/92/941009292.db2.gz RBQRLBHKLLFCJL-UDDWMFPDSA-N 2 0 360.542 3.525 20 0 FHADRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C(C)(C)C ZINC000414346546 941016968 /nfs/dbraw/zinc/01/69/68/941016968.db2.gz VLCBKRUGEZPSLF-HXUWFJFHSA-N 2 0 359.558 3.688 20 0 FHADRP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414346554 941017212 /nfs/dbraw/zinc/01/72/12/941017212.db2.gz VMNRSLQYGCAYGZ-RTBURBONSA-N 2 0 373.585 3.934 20 0 FHADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414349817 941026019 /nfs/dbraw/zinc/02/60/19/941026019.db2.gz ZKUGMIWGBKGGCM-ZNLUXHQJSA-N 2 0 371.569 3.688 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379192 941062441 /nfs/dbraw/zinc/06/24/41/941062441.db2.gz IKQGZNIGVUNNSR-KDOFPFPSSA-N 2 0 370.368 3.844 20 0 FHADRP COc1sc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647543832 941065810 /nfs/dbraw/zinc/06/58/10/941065810.db2.gz SOTXWDNBWLVCRU-STQMWFEESA-N 2 0 373.360 3.731 20 0 FHADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCC2)cc1 ZINC000647549113 941070785 /nfs/dbraw/zinc/07/07/85/941070785.db2.gz IUVXWUKTPGPNSF-IIDMSEBBSA-N 2 0 363.343 3.849 20 0 FHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423390588 941095387 /nfs/dbraw/zinc/09/53/87/941095387.db2.gz OZIVDPSDIZISNS-AXFHLTTASA-N 2 0 350.356 3.810 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423392447 941095556 /nfs/dbraw/zinc/09/55/56/941095556.db2.gz QEKAOGIIXAHYII-ZACQAIPSSA-N 2 0 355.320 3.776 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000423501050 941124133 /nfs/dbraw/zinc/12/41/33/941124133.db2.gz AVALMYVFUQUZAI-NUVRTYOOSA-N 2 0 361.496 3.550 20 0 FHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000377300056 941128319 /nfs/dbraw/zinc/12/83/19/941128319.db2.gz SSCLILHSACHHOP-BZSNNMDCSA-N 2 0 356.432 3.598 20 0 FHADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000659283758 941146598 /nfs/dbraw/zinc/14/65/98/941146598.db2.gz BYZBMBIZAWNKCZ-JOCHJYFZSA-N 2 0 363.505 3.888 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000480686142 941236305 /nfs/dbraw/zinc/23/63/05/941236305.db2.gz BWJBNLZFHIDZNO-HSZRJFAPSA-N 2 0 367.512 3.740 20 0 FHADRP Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647651181 941262976 /nfs/dbraw/zinc/26/29/76/941262976.db2.gz CPFAFFBQAFSWTD-NRFANRHFSA-N 2 0 366.509 3.594 20 0 FHADRP CCOCOc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000782949476 941325037 /nfs/dbraw/zinc/32/50/37/941325037.db2.gz GBVNYXJQKXIFPD-UHFFFAOYSA-N 2 0 354.494 3.814 20 0 FHADRP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000311866924 941405708 /nfs/dbraw/zinc/40/57/08/941405708.db2.gz YMZGYVGBCSKKCE-JOCHJYFZSA-N 2 0 354.494 3.706 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000376861191 941453856 /nfs/dbraw/zinc/45/38/56/941453856.db2.gz RNQRZVJWNAPHQV-BGTYHANMSA-N 2 0 356.432 3.597 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000377084148 941511272 /nfs/dbraw/zinc/51/12/72/941511272.db2.gz QPXQZCGZFRYAMF-CYBMUJFWSA-N 2 0 364.415 3.669 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415029033 941551053 /nfs/dbraw/zinc/55/10/53/941551053.db2.gz ZVBQNBOFADYFSS-WKILWMFISA-N 2 0 362.468 3.622 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000415031993 941555410 /nfs/dbraw/zinc/55/54/10/941555410.db2.gz HQBBQIASHCRXLQ-CABZTGNLSA-N 2 0 351.210 3.685 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415042912 941562316 /nfs/dbraw/zinc/56/23/16/941562316.db2.gz RLTODCHKJROTMB-RNCFNFMXSA-N 2 0 351.210 3.685 20 0 FHADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047564 941564794 /nfs/dbraw/zinc/56/47/94/941564794.db2.gz DXXWYCAVBKISHA-NTFRLBIZSA-N 2 0 361.961 3.782 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058767 941571555 /nfs/dbraw/zinc/57/15/55/941571555.db2.gz WETWCIHSZSRMTK-WIYYLYMNSA-N 2 0 371.550 3.995 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415060222 941571955 /nfs/dbraw/zinc/57/19/55/941571955.db2.gz YMWIQZSWZFUEFK-DENIHFKCSA-N 2 0 351.494 3.625 20 0 FHADRP COc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(SC)cc1OC ZINC000415061949 941580221 /nfs/dbraw/zinc/58/02/21/941580221.db2.gz ZHGYTRXCAQBUGJ-KRWDZBQOSA-N 2 0 360.523 3.996 20 0 FHADRP Cc1nc(COc2ccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc2)no1 ZINC000415062102 941580286 /nfs/dbraw/zinc/58/02/86/941580286.db2.gz ZPUJYLJUBFGAMG-FQEVSTJZSA-N 2 0 366.465 3.527 20 0 FHADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415075543 941586495 /nfs/dbraw/zinc/58/64/95/941586495.db2.gz BPPLJVSYYYEONJ-LYGPFTKASA-N 2 0 352.482 3.502 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079447 941588270 /nfs/dbraw/zinc/58/82/70/941588270.db2.gz HXCXQZAXUZHADV-SJLPKXTDSA-N 2 0 358.869 3.694 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000415104013 941606053 /nfs/dbraw/zinc/60/60/53/941606053.db2.gz GHFSHXJATAXNBL-OALUTQOASA-N 2 0 354.897 3.630 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000415117254 941613328 /nfs/dbraw/zinc/61/33/28/941613328.db2.gz CBFXVXVMNQRJRR-UKRRQHHQSA-N 2 0 373.360 3.537 20 0 FHADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126033 941615336 /nfs/dbraw/zinc/61/53/36/941615336.db2.gz LWMRNFRGCQOBKX-UWJYYQICSA-N 2 0 369.557 3.550 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120073 941616912 /nfs/dbraw/zinc/61/69/12/941616912.db2.gz FWNJRNGLKSXXTP-CTNGQTDRSA-N 2 0 358.457 3.804 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124642 941620549 /nfs/dbraw/zinc/62/05/49/941620549.db2.gz MVQWNPUGAPKENF-SIKLNZKXSA-N 2 0 358.526 3.726 20 0 FHADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415136248 941622320 /nfs/dbraw/zinc/62/23/20/941622320.db2.gz QZQMYTICGIMALX-HXUWFJFHSA-N 2 0 351.538 3.509 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415129333 941623146 /nfs/dbraw/zinc/62/31/46/941623146.db2.gz PGRDCMLWVXJSHN-FUHWJXTLSA-N 2 0 370.541 3.730 20 0 FHADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130418 941623581 /nfs/dbraw/zinc/62/35/81/941623581.db2.gz RAPGVMNTTZTUGC-PXNSSMCTSA-N 2 0 354.494 3.691 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415131349 941623962 /nfs/dbraw/zinc/62/39/62/941623962.db2.gz ZBBSVLYYCVFHSS-UNMCSNQZSA-N 2 0 360.542 3.830 20 0 FHADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000472746211 941671504 /nfs/dbraw/zinc/67/15/04/941671504.db2.gz FWTNIUAYPITUPS-UHFFFAOYSA-N 2 0 351.966 3.967 20 0 FHADRP COc1cc(C[NH2+]Cc2cnccc2N(C)C)ccc1OC1CCCC1 ZINC000545370407 941676881 /nfs/dbraw/zinc/67/68/81/941676881.db2.gz PWJWBWLTUPRYDX-UHFFFAOYSA-N 2 0 355.482 3.767 20 0 FHADRP c1cn(-c2ccc(C[NH+]3CCN(c4cncc5ccccc54)CC3)cc2)cn1 ZINC000472755199 941686914 /nfs/dbraw/zinc/68/69/14/941686914.db2.gz QWBRAKQSPAKCKG-UHFFFAOYSA-N 2 0 369.472 3.743 20 0 FHADRP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000729330070 941720434 /nfs/dbraw/zinc/72/04/34/941720434.db2.gz ICAZSSCAGLIUAL-IRLDBZIGSA-N 2 0 371.569 3.937 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)CCCC[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000729349982 941727330 /nfs/dbraw/zinc/72/73/30/941727330.db2.gz BQLNETYIDCMXKC-OAQYLSRUSA-N 2 0 357.542 3.514 20 0 FHADRP Cc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(C)c1OCc1ccccn1 ZINC000237093451 941729732 /nfs/dbraw/zinc/72/97/32/941729732.db2.gz WINJFUSHYBLOFD-UHFFFAOYSA-N 2 0 355.526 3.955 20 0 FHADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCCC[NH+]3CCCC3)c2)CC1 ZINC000729358115 941730927 /nfs/dbraw/zinc/73/09/27/941730927.db2.gz FQQAQDOWPBNTQK-UHFFFAOYSA-N 2 0 371.569 3.801 20 0 FHADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CC3)c2)CC1 ZINC000892945164 941744031 /nfs/dbraw/zinc/74/40/31/941744031.db2.gz YQVOWHWDGYYGBY-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP CC[NH+](CC)CCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513196408 941771209 /nfs/dbraw/zinc/77/12/09/941771209.db2.gz ONQZGVPTFMPCTJ-GOSISDBHSA-N 2 0 358.448 3.729 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])c2)CC1 ZINC000415390376 941794736 /nfs/dbraw/zinc/79/47/36/941794736.db2.gz KERJKPVZCLQDPO-RXVVDRJESA-N 2 0 372.557 3.552 20 0 FHADRP C[C@H](CCCC[NH3+])NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415398505 941800066 /nfs/dbraw/zinc/80/00/66/941800066.db2.gz WZCBYWVRZMIFOX-GOSISDBHSA-N 2 0 360.546 3.600 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CCCO2 ZINC000377572442 941817007 /nfs/dbraw/zinc/81/70/07/941817007.db2.gz QRLMEXWTLNUTBE-HXUWFJFHSA-N 2 0 369.509 3.724 20 0 FHADRP Clc1cc(Cl)cc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000893014014 941881344 /nfs/dbraw/zinc/88/13/44/941881344.db2.gz VCMSIFQREZACNC-OAHLLOKOSA-N 2 0 357.325 3.626 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)C[C@@H](C)O1 ZINC000467194836 941898426 /nfs/dbraw/zinc/89/84/26/941898426.db2.gz DNGFAORTFVQYCZ-SBHAEUEKSA-N 2 0 364.574 3.690 20 0 FHADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991132 941939120 /nfs/dbraw/zinc/93/91/20/941939120.db2.gz PZCLUCMDTAMLSS-SIKLNZKXSA-N 2 0 356.485 3.751 20 0 FHADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377759606 941966286 /nfs/dbraw/zinc/96/62/86/941966286.db2.gz HLWOLCYACFTVAY-RBBKRZOGSA-N 2 0 373.500 3.894 20 0 FHADRP C[C@H]1CN(Cc2cccc(C[NH2+][C@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537523 941994362 /nfs/dbraw/zinc/99/43/62/941994362.db2.gz AHDJFWYOJOOFLD-BTYIYWSLSA-N 2 0 372.459 3.963 20 0 FHADRP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1O ZINC000513546740 942006227 /nfs/dbraw/zinc/00/62/27/942006227.db2.gz ZMLJNISPGPYCFK-YLJYHZDGSA-N 2 0 354.494 3.791 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414281726 942060205 /nfs/dbraw/zinc/06/02/05/942060205.db2.gz GOWFTURKHWFORJ-UHFFFAOYSA-N 2 0 357.464 3.521 20 0 FHADRP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501896723 942112036 /nfs/dbraw/zinc/11/20/36/942112036.db2.gz FBDXREHRFIKNHM-IBGZPJMESA-N 2 0 371.491 3.994 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1 ZINC000415901016 942119389 /nfs/dbraw/zinc/11/93/89/942119389.db2.gz BHJWNDBMHBLETP-UHFFFAOYSA-N 2 0 368.525 3.700 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000415904301 942130758 /nfs/dbraw/zinc/13/07/58/942130758.db2.gz ALTXZKAXUYZDTA-NRFANRHFSA-N 2 0 366.509 3.755 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000415916165 942139360 /nfs/dbraw/zinc/13/93/60/942139360.db2.gz AXPPEDKMUOCKJA-SFHVURJKSA-N 2 0 372.557 3.914 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000415933414 942158821 /nfs/dbraw/zinc/15/88/21/942158821.db2.gz PGAXPOJMTCELOS-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000415927620 942164075 /nfs/dbraw/zinc/16/40/75/942164075.db2.gz DMEGCHOVHFYFPM-UHFFFAOYSA-N 2 0 372.488 3.531 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415926941 942164101 /nfs/dbraw/zinc/16/41/01/942164101.db2.gz BZLXYIHMUIUMAK-QZTJIDSGSA-N 2 0 366.509 3.533 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000415940838 942172077 /nfs/dbraw/zinc/17/20/77/942172077.db2.gz DSXFGOXAKPTLEA-LJQANCHMSA-N 2 0 372.557 3.916 20 0 FHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431855942 942193563 /nfs/dbraw/zinc/19/35/63/942193563.db2.gz CTPKVIQDFXHZNM-FGZHOGPDSA-N 2 0 371.569 3.622 20 0 FHADRP [NH3+]Cc1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000415965407 942203932 /nfs/dbraw/zinc/20/39/32/942203932.db2.gz YIVHUGNVULTKOQ-IBGZPJMESA-N 2 0 372.900 3.757 20 0 FHADRP c1cc(CN2CCOCC2)cc(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000420917100 942266887 /nfs/dbraw/zinc/26/68/87/942266887.db2.gz QJCAHCBKAILKBT-UHFFFAOYSA-N 2 0 372.553 3.690 20 0 FHADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040454 942270683 /nfs/dbraw/zinc/27/06/83/942270683.db2.gz ZYIGKXDYMWCMLH-UTRMSSBJSA-N 2 0 370.459 3.992 20 0 FHADRP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045732 942273247 /nfs/dbraw/zinc/27/32/47/942273247.db2.gz JZYTVKXPUHRMKF-LJQANCHMSA-N 2 0 374.573 3.561 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051741 942276914 /nfs/dbraw/zinc/27/69/14/942276914.db2.gz FSOWDSOWWPALEJ-FQEVSTJZSA-N 2 0 361.549 3.811 20 0 FHADRP CC(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCCc2cccnc21 ZINC000501054193 942280456 /nfs/dbraw/zinc/28/04/56/942280456.db2.gz WWGAIJZEVLPVRR-QFIPXVFZSA-N 2 0 372.601 3.833 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000502270110 942322003 /nfs/dbraw/zinc/32/20/03/942322003.db2.gz QLFONQXJQZYZSH-XQBPLPMBSA-N 2 0 372.553 3.735 20 0 FHADRP CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416094445 942342498 /nfs/dbraw/zinc/34/24/98/942342498.db2.gz LYJSHTFFMZZERB-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccsc21 ZINC000501195338 942345908 /nfs/dbraw/zinc/34/59/08/942345908.db2.gz MYHZXVKXBMHDFE-KRWDZBQOSA-N 2 0 374.554 3.781 20 0 FHADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000419695334 942354364 /nfs/dbraw/zinc/35/43/64/942354364.db2.gz RVUZIOGTOHONSO-QLFBSQMISA-N 2 0 354.325 3.789 20 0 FHADRP Cc1ccc(-c2ccc(C[NH2+]CC3CC[NH+](CCN(C)C)CC3)o2)cc1 ZINC000237164588 942363769 /nfs/dbraw/zinc/36/37/69/942363769.db2.gz YSKWTCBMSSYVDA-UHFFFAOYSA-N 2 0 355.526 3.618 20 0 FHADRP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042653 942388809 /nfs/dbraw/zinc/38/88/09/942388809.db2.gz XDDCTPMELMMYIN-KNQAVFIVSA-N 2 0 356.485 3.751 20 0 FHADRP C[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CC(F)(F)F ZINC000419810410 942403923 /nfs/dbraw/zinc/40/39/23/942403923.db2.gz FBKVBJBNZXBJRF-ZDUSSCGKSA-N 2 0 363.855 3.770 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501358978 942432139 /nfs/dbraw/zinc/43/21/39/942432139.db2.gz BVYNVLISQTYFBS-FKBYEOEOSA-N 2 0 371.569 3.666 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000502416170 942432290 /nfs/dbraw/zinc/43/22/90/942432290.db2.gz ORPGQNPPBJLBQQ-RBUKOAKNSA-N 2 0 362.558 3.901 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000502416168 942432451 /nfs/dbraw/zinc/43/24/51/942432451.db2.gz ORPGQNPPBJLBQQ-MOPGFXCFSA-N 2 0 362.558 3.901 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168460 942435842 /nfs/dbraw/zinc/43/58/42/942435842.db2.gz YFYXLVQLYHFLFK-RZUBCFFCSA-N 2 0 371.569 3.792 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)c1ccccc1 ZINC000416196480 942472750 /nfs/dbraw/zinc/47/27/50/942472750.db2.gz WVGDCURSOBUVHM-QFIPXVFZSA-N 2 0 365.521 3.955 20 0 FHADRP Cc1ccc(Br)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000414512733 942504570 /nfs/dbraw/zinc/50/45/70/942504570.db2.gz IXOZKERZWVHPRP-UHFFFAOYSA-N 2 0 360.299 3.911 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)CC1 ZINC000421332066 942506271 /nfs/dbraw/zinc/50/62/71/942506271.db2.gz FEDKNWSESWGSBO-UHFFFAOYSA-N 2 0 350.506 3.811 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccccc1 ZINC000416226700 942509825 /nfs/dbraw/zinc/50/98/25/942509825.db2.gz VLGLZRRNTLUXRC-UXHICEINSA-N 2 0 367.493 3.703 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2c1 ZINC000414838206 942538961 /nfs/dbraw/zinc/53/89/61/942538961.db2.gz KZTQFIRPAGZZDH-GOSISDBHSA-N 2 0 352.526 3.704 20 0 FHADRP Cc1cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc(C)n1 ZINC000421385569 942539134 /nfs/dbraw/zinc/53/91/34/942539134.db2.gz QIDRLKKPEXJEGG-UHFFFAOYSA-N 2 0 352.526 3.519 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cc(Br)cs2)cc1 ZINC000420298663 942608658 /nfs/dbraw/zinc/60/86/58/942608658.db2.gz FNQNCKHGRPAQMR-ZDUSSCGKSA-N 2 0 369.328 3.694 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000420315688 942618059 /nfs/dbraw/zinc/61/80/59/942618059.db2.gz XFAUQHWIVKJJSI-HOCLYGCPSA-N 2 0 351.450 3.673 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342579 942619253 /nfs/dbraw/zinc/61/92/53/942619253.db2.gz OZOYAADPSDMXTH-GDZNZVCISA-N 2 0 352.935 3.869 20 0 FHADRP COc1cc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420318249 942620431 /nfs/dbraw/zinc/62/04/31/942620431.db2.gz OETKHIIDHWFPFL-AWEZNQCLSA-N 2 0 354.441 3.651 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338308 942623119 /nfs/dbraw/zinc/62/31/19/942623119.db2.gz KPUHHMMAXAUJBZ-SFTDATJTSA-N 2 0 363.505 3.760 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346220 942627968 /nfs/dbraw/zinc/62/79/68/942627968.db2.gz XTRHGPYSKCOWSK-OXJNMPFZSA-N 2 0 357.542 3.602 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000420325406 942628593 /nfs/dbraw/zinc/62/85/93/942628593.db2.gz WCDLIKOLYZAZFQ-LSDHHAIUSA-N 2 0 351.450 3.673 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000420325404 942628923 /nfs/dbraw/zinc/62/89/23/942628923.db2.gz WCDLIKOLYZAZFQ-GJZGRUSLSA-N 2 0 351.450 3.673 20 0 FHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420352552 942633935 /nfs/dbraw/zinc/63/39/35/942633935.db2.gz APVYNJZYYAIDID-FQEVSTJZSA-N 2 0 367.493 3.785 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000420376026 942645577 /nfs/dbraw/zinc/64/55/77/942645577.db2.gz JLBVWOGEWVIZMJ-QZTJIDSGSA-N 2 0 354.947 3.650 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383839 942647873 /nfs/dbraw/zinc/64/78/73/942647873.db2.gz FVBUGJLYTVZCGE-ATZDWAIDSA-N 2 0 355.482 3.621 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383842 942648164 /nfs/dbraw/zinc/64/81/64/942648164.db2.gz FVBUGJLYTVZCGE-MNEFBYGVSA-N 2 0 355.482 3.621 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cs1)c1ccc(C)cc1 ZINC000414845352 942651034 /nfs/dbraw/zinc/65/10/34/942651034.db2.gz SMCZLYQYFWIWNH-QGZVFWFLSA-N 2 0 372.538 3.615 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420392061 942652798 /nfs/dbraw/zinc/65/27/98/942652798.db2.gz PGJDKOQWBXPASK-MZMPZRCHSA-N 2 0 372.431 3.865 20 0 FHADRP Cn1nc(CCC[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000502683048 942656687 /nfs/dbraw/zinc/65/66/87/942656687.db2.gz LSIPGLVBJFOVHZ-FQEVSTJZSA-N 2 0 358.505 3.575 20 0 FHADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420403506 942662908 /nfs/dbraw/zinc/66/29/08/942662908.db2.gz LAGJBEOQAJNBDW-MJGOQNOKSA-N 2 0 351.494 3.599 20 0 FHADRP CC(C)[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501793668 942680510 /nfs/dbraw/zinc/68/05/10/942680510.db2.gz IMWFOSHBTBEBAD-JOCHJYFZSA-N 2 0 359.558 3.554 20 0 FHADRP Cc1nccn1CCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502717462 942680616 /nfs/dbraw/zinc/68/06/16/942680616.db2.gz ANAKDOLXLMADPL-UHFFFAOYSA-N 2 0 366.553 3.960 20 0 FHADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000502742522 942695101 /nfs/dbraw/zinc/69/51/01/942695101.db2.gz VZHFHXOQDMKRQT-AQNXPRMDSA-N 2 0 351.579 3.752 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000502750790 942717515 /nfs/dbraw/zinc/71/75/15/942717515.db2.gz YBOWQJBTXFUHRT-QRVBRYPASA-N 2 0 374.573 3.678 20 0 FHADRP COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000378404881 942729863 /nfs/dbraw/zinc/72/98/63/942729863.db2.gz QETNLURFFKGQCN-OXQOHEQNSA-N 2 0 370.493 3.810 20 0 FHADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCCO[C@@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081641 942733074 /nfs/dbraw/zinc/73/30/74/942733074.db2.gz CSWSQXOIEHMSGX-DNVJHFABSA-N 2 0 372.553 3.906 20 0 FHADRP CN(C)c1ncccc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000514087964 942738270 /nfs/dbraw/zinc/73/82/70/942738270.db2.gz JMJUIGLPUPPDHB-UHFFFAOYSA-N 2 0 352.526 3.680 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(C)c1OC ZINC000514106549 942749820 /nfs/dbraw/zinc/74/98/20/942749820.db2.gz ZHXBUKOVJFUMOR-KRWDZBQOSA-N 2 0 372.509 3.803 20 0 FHADRP CC[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000414547223 942761475 /nfs/dbraw/zinc/76/14/75/942761475.db2.gz HPEJOJBSLMUVLN-NRFANRHFSA-N 2 0 352.522 3.797 20 0 FHADRP CCC[NH+]1CCC(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000502813339 942764579 /nfs/dbraw/zinc/76/45/79/942764579.db2.gz NYPRSODXAWBQLG-SFHVURJKSA-N 2 0 374.573 3.537 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000502817692 942768430 /nfs/dbraw/zinc/76/84/30/942768430.db2.gz XJAVAFLXBZRELY-MOPGFXCFSA-N 2 0 374.573 3.535 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000502845991 942793051 /nfs/dbraw/zinc/79/30/51/942793051.db2.gz NGLJBMBCGFRPRO-OAQYLSRUSA-N 2 0 357.542 3.619 20 0 FHADRP CC[C@@H](CC(F)F)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659994151 942806208 /nfs/dbraw/zinc/80/62/08/942806208.db2.gz SJKJGBVWYBSVGL-KRWDZBQOSA-N 2 0 359.549 3.796 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1Cl ZINC000421823858 942833591 /nfs/dbraw/zinc/83/35/91/942833591.db2.gz FPHCGJJXELNHDT-SFHVURJKSA-N 2 0 372.944 3.988 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000421829512 942837019 /nfs/dbraw/zinc/83/70/19/942837019.db2.gz IEYQFHZRQQFMSF-GJZGRUSLSA-N 2 0 354.897 3.501 20 0 FHADRP Clc1ccc(OCc2cccnc2)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414850581 942858346 /nfs/dbraw/zinc/85/83/46/942858346.db2.gz ZEYWLLOYJDVFRJ-INIZCTEOSA-N 2 0 359.901 3.793 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000421890658 942867189 /nfs/dbraw/zinc/86/71/89/942867189.db2.gz YCQDJNUZSPUILQ-TZJYRCSTSA-N 2 0 350.934 3.893 20 0 FHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000425154065 942880402 /nfs/dbraw/zinc/88/04/02/942880402.db2.gz GSXRAVIKRWSQPY-PMACEKPBSA-N 2 0 368.525 3.703 20 0 FHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000281455893 942928021 /nfs/dbraw/zinc/92/80/21/942928021.db2.gz DNNFIIBBNOGQQV-MDASCCDHSA-N 2 0 370.459 3.604 20 0 FHADRP C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363886961 942963401 /nfs/dbraw/zinc/96/34/01/942963401.db2.gz JZYWONYCMLUOPC-IBGZPJMESA-N 2 0 372.538 3.738 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(O)cc(Cl)c3)cc2)CC1 ZINC000894301728 942971898 /nfs/dbraw/zinc/97/18/98/942971898.db2.gz PPLJFXMOAGNAPN-UHFFFAOYSA-N 2 0 360.885 3.808 20 0 FHADRP CC(C)[NH+](CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000503125179 942991658 /nfs/dbraw/zinc/99/16/58/942991658.db2.gz HUJJIEKEOLQDNN-SFHVURJKSA-N 2 0 362.562 3.534 20 0 FHADRP OCCC[C@@H]([NH2+]CCC[NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000271775442 943048168 /nfs/dbraw/zinc/04/81/68/943048168.db2.gz KRIDJLYEOQYMLM-ZRZAMGCNSA-N 2 0 370.537 3.583 20 0 FHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000271861049 943062109 /nfs/dbraw/zinc/06/21/09/943062109.db2.gz KMQCDBFXDXUDCC-VQIMIIECSA-N 2 0 362.489 3.686 20 0 FHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886406 943065656 /nfs/dbraw/zinc/06/56/56/943065656.db2.gz QUFSUOFBAYTKIC-NSHDSACASA-N 2 0 362.367 3.802 20 0 FHADRP COCCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000271896417 943067301 /nfs/dbraw/zinc/06/73/01/943067301.db2.gz UDEFNFQDNIUMNR-SFHVURJKSA-N 2 0 367.331 3.768 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCSC(C)(C)CC1)C1CC[NH+](C)CC1 ZINC000435039838 943106960 /nfs/dbraw/zinc/10/69/60/943106960.db2.gz JIEOEGYARYUXCK-UHFFFAOYSA-N 2 0 361.599 3.935 20 0 FHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000414658713 943125451 /nfs/dbraw/zinc/12/54/51/943125451.db2.gz RHLOFGUQULPCIA-LBPRGKRZSA-N 2 0 351.313 3.958 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272282208 943128502 /nfs/dbraw/zinc/12/85/02/943128502.db2.gz AETDEWCUPIGNND-QFIPXVFZSA-N 2 0 359.533 3.769 20 0 FHADRP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361835 943143238 /nfs/dbraw/zinc/14/32/38/943143238.db2.gz SGLSARDCRAURIW-TZIWHRDSSA-N 2 0 355.570 3.894 20 0 FHADRP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272392771 943149212 /nfs/dbraw/zinc/14/92/12/943149212.db2.gz YFIASHPIRTXXAX-PKOBYXMFSA-N 2 0 370.566 3.612 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000416830756 943159988 /nfs/dbraw/zinc/15/99/88/943159988.db2.gz ALDYNNBXFURQQR-UWJYYQICSA-N 2 0 368.525 3.589 20 0 FHADRP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000514634324 943166093 /nfs/dbraw/zinc/16/60/93/943166093.db2.gz FGYKMMNGJOBIOD-OXQOHEQNSA-N 2 0 368.477 3.649 20 0 FHADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000514668547 943202646 /nfs/dbraw/zinc/20/26/46/943202646.db2.gz ILVBMNPFSJTZOH-OXJNMPFZSA-N 2 0 368.949 3.633 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733774 943211779 /nfs/dbraw/zinc/21/17/79/943211779.db2.gz JHUWWUBRWTZTHQ-FGZHOGPDSA-N 2 0 354.469 3.633 20 0 FHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000422631201 943214257 /nfs/dbraw/zinc/21/42/57/943214257.db2.gz FGBTUEVJRHHYCI-FUHIMQAGSA-N 2 0 351.494 3.744 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000272774822 943218743 /nfs/dbraw/zinc/21/87/43/943218743.db2.gz UDXTUPQYTZQEMK-HXOBKFHXSA-N 2 0 366.505 3.524 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C ZINC000272822165 943227941 /nfs/dbraw/zinc/22/79/41/943227941.db2.gz DDOVGUDIKQEOQB-SFHVURJKSA-N 2 0 368.521 3.811 20 0 FHADRP CCCOCc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697996 943236200 /nfs/dbraw/zinc/23/62/00/943236200.db2.gz XDPDWRJRDHJDQH-GMAHTHKFSA-N 2 0 366.505 3.959 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422694012 943247675 /nfs/dbraw/zinc/24/76/75/943247675.db2.gz NEHMTXBRMYRYCM-FUHWJXTLSA-N 2 0 355.482 3.750 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000422730691 943248940 /nfs/dbraw/zinc/24/89/40/943248940.db2.gz FFRZWLHUDPZDMS-WZONZLPQSA-N 2 0 366.553 3.973 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)CC[NH2+]CC1 ZINC000422735505 943251397 /nfs/dbraw/zinc/25/13/97/943251397.db2.gz DYWVDCKSCWIJRW-KRWDZBQOSA-N 2 0 371.525 3.504 20 0 FHADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+]C3CCC(C[NH3+])CC3)c2)cc1 ZINC000422716649 943256043 /nfs/dbraw/zinc/25/60/43/943256043.db2.gz UVFVRTFJCHWERP-UHFFFAOYSA-N 2 0 351.494 3.854 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)nc1 ZINC000422724112 943258744 /nfs/dbraw/zinc/25/87/44/943258744.db2.gz UNNSAZGBWSVFHC-BHIFYINESA-N 2 0 351.494 3.671 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000422724985 943259691 /nfs/dbraw/zinc/25/96/91/943259691.db2.gz ACSXQMGOPOTZKZ-SFHVURJKSA-N 2 0 366.505 3.687 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727134 943261602 /nfs/dbraw/zinc/26/16/02/943261602.db2.gz GVYZEPOUMMMRCE-KSZLIROESA-N 2 0 355.448 3.529 20 0 FHADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757792 943262561 /nfs/dbraw/zinc/26/25/61/943262561.db2.gz IYZXRTXOKMVNOL-QNDJGXFYSA-N 2 0 369.475 3.818 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762096 943265633 /nfs/dbraw/zinc/26/56/33/943265633.db2.gz NKBGYYXPEOBWRE-MAUKXSAKSA-N 2 0 370.459 3.861 20 0 FHADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000503569311 943266253 /nfs/dbraw/zinc/26/62/53/943266253.db2.gz QBHVJUDVMAZBMH-JPAWQOSXSA-N 2 0 360.542 3.591 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)CC3 ZINC000273064553 943268219 /nfs/dbraw/zinc/26/82/19/943268219.db2.gz LZIJDOVVPRGAKL-INIZCTEOSA-N 2 0 353.510 3.640 20 0 FHADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422744685 943269044 /nfs/dbraw/zinc/26/90/44/943269044.db2.gz WLWKMEFGXMJVIH-UCNVEGJOSA-N 2 0 352.478 3.608 20 0 FHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752394 943273102 /nfs/dbraw/zinc/27/31/02/943273102.db2.gz CTNAKJJTPRGVPY-BUBGKSFDSA-N 2 0 358.526 3.673 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422766260 943274861 /nfs/dbraw/zinc/27/48/61/943274861.db2.gz LRMJQOKRWZTEKE-DENIHFKCSA-N 2 0 352.453 3.703 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422769164 943276490 /nfs/dbraw/zinc/27/64/90/943276490.db2.gz USAJXNYXYKMQJP-OAHLLOKOSA-N 2 0 358.448 3.861 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000422769602 943276872 /nfs/dbraw/zinc/27/68/72/943276872.db2.gz VRQRTRKSRHRLAE-CHWSQXEVSA-N 2 0 367.415 3.986 20 0 FHADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000422773429 943278271 /nfs/dbraw/zinc/27/82/71/943278271.db2.gz YQEGAEMJISOTSW-PSWRPDDJSA-N 2 0 373.585 3.643 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422777978 943279063 /nfs/dbraw/zinc/27/90/63/943279063.db2.gz DEUPHFFPHDFKOD-UZLBHIALSA-N 2 0 351.519 3.901 20 0 FHADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778884 943279704 /nfs/dbraw/zinc/27/97/04/943279704.db2.gz HWZWTWAVSAFPIA-NUEKZKHPSA-N 2 0 357.329 3.701 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422782217 943281052 /nfs/dbraw/zinc/28/10/52/943281052.db2.gz JPHPMPWZDRKQJV-OAHLLOKOSA-N 2 0 350.409 3.601 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422784856 943281880 /nfs/dbraw/zinc/28/18/80/943281880.db2.gz MNORYCUEOZPVFC-DHSIGJKJSA-N 2 0 362.420 3.599 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001137 943282330 /nfs/dbraw/zinc/28/23/30/943282330.db2.gz DVMFIJYICKGJSM-BEFAXECRSA-N 2 0 374.554 3.650 20 0 FHADRP FC(F)Oc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789141 943283402 /nfs/dbraw/zinc/28/34/02/943283402.db2.gz BAZBQFBVXFKODW-OXJNMPFZSA-N 2 0 360.404 3.634 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765697 943285352 /nfs/dbraw/zinc/28/53/52/943285352.db2.gz RBFOXJDFADBZDD-RWQQGDIJSA-N 2 0 369.475 3.805 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422798134 943287745 /nfs/dbraw/zinc/28/77/45/943287745.db2.gz PVZORHFEFWQDJG-YFZFPPMRSA-N 2 0 358.432 3.914 20 0 FHADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802865 943289228 /nfs/dbraw/zinc/28/92/28/943289228.db2.gz FELUGOJTGHRKDR-XUVXKRRUSA-N 2 0 352.526 3.701 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810646 943291360 /nfs/dbraw/zinc/29/13/60/943291360.db2.gz UNXLNTRNYDYECB-KBPBESRZSA-N 2 0 352.482 3.609 20 0 FHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422813067 943291780 /nfs/dbraw/zinc/29/17/80/943291780.db2.gz XIGONVSRXNPTBR-YLJYHZDGSA-N 2 0 358.482 3.893 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790175 943293040 /nfs/dbraw/zinc/29/30/40/943293040.db2.gz PFNUEBHMCDRMSB-JKSUJKDBSA-N 2 0 352.457 3.894 20 0 FHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790172 943293074 /nfs/dbraw/zinc/29/30/74/943293074.db2.gz PFNUEBHMCDRMSB-CVEARBPZSA-N 2 0 352.457 3.894 20 0 FHADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422814566 943293162 /nfs/dbraw/zinc/29/31/62/943293162.db2.gz VKWMFNHWQUHJOW-UTRMSSBJSA-N 2 0 370.459 3.946 20 0 FHADRP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422828585 943298202 /nfs/dbraw/zinc/29/82/02/943298202.db2.gz OIPICVJXLXQACQ-VGOFRKELSA-N 2 0 352.526 3.645 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000422828506 943298363 /nfs/dbraw/zinc/29/83/63/943298363.db2.gz BELXCNCEGXWLCR-WBVHZDCISA-N 2 0 350.503 3.503 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837979 943301246 /nfs/dbraw/zinc/30/12/46/943301246.db2.gz NJAMLHAPYUKBNM-YQFWSFKMSA-N 2 0 367.331 3.727 20 0 FHADRP CC(C)(C)c1ccc(C2([NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCCC2)cc1 ZINC000414696837 943302513 /nfs/dbraw/zinc/30/25/13/943302513.db2.gz BMGJZDYRAHEUGI-SFHVURJKSA-N 2 0 371.569 3.540 20 0 FHADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422847539 943303777 /nfs/dbraw/zinc/30/37/77/943303777.db2.gz RQURBKIPQTVVHD-KFKAGJAMSA-N 2 0 364.480 3.523 20 0 FHADRP CC[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422851954 943305685 /nfs/dbraw/zinc/30/56/85/943305685.db2.gz PVNQMCMEPUILEP-PIPMEXSNSA-N 2 0 370.468 3.829 20 0 FHADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422855827 943307214 /nfs/dbraw/zinc/30/72/14/943307214.db2.gz FHMBFVPMNJQZEB-BHIFYINESA-N 2 0 360.542 3.640 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000422854558 943307357 /nfs/dbraw/zinc/30/73/57/943307357.db2.gz BCYDKUYJNNIRCV-CEMLEFRQSA-N 2 0 356.554 3.944 20 0 FHADRP Cc1ccc(OCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422857619 943307802 /nfs/dbraw/zinc/30/78/02/943307802.db2.gz HEBHABPRIMHWFI-IRLDBZIGSA-N 2 0 352.478 3.609 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)cc2)n1 ZINC000422857861 943307852 /nfs/dbraw/zinc/30/78/52/943307852.db2.gz IENQGSDSPWEZAI-QGZVFWFLSA-N 2 0 363.509 3.545 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000422859710 943308832 /nfs/dbraw/zinc/30/88/32/943308832.db2.gz KELMWFWNNLLXNR-RJGXRXQPSA-N 2 0 366.553 3.932 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422869189 943310676 /nfs/dbraw/zinc/31/06/76/943310676.db2.gz WWLXEHWSXUNDRD-VSKRKVRLSA-N 2 0 352.526 3.542 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422867556 943311422 /nfs/dbraw/zinc/31/14/22/943311422.db2.gz SHPSJTZSJCGXOL-PBHICJAKSA-N 2 0 352.906 3.702 20 0 FHADRP C[C@H]([NH3+])c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000422877140 943313598 /nfs/dbraw/zinc/31/35/98/943313598.db2.gz RCJSTDSKUWFBRP-KRWDZBQOSA-N 2 0 351.494 3.947 20 0 FHADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000422877141 943313677 /nfs/dbraw/zinc/31/36/77/943313677.db2.gz RCJSTDSKUWFBRP-QGZVFWFLSA-N 2 0 351.494 3.947 20 0 FHADRP C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700996 943313687 /nfs/dbraw/zinc/31/36/87/943313687.db2.gz JWNQRYVFZSVYJX-IEBWSBKVSA-N 2 0 371.550 3.509 20 0 FHADRP Clc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c(Cl)c1 ZINC000422876454 943313706 /nfs/dbraw/zinc/31/37/06/943313706.db2.gz FXOGQXNYGSAMKC-XYPWUTKMSA-N 2 0 369.336 3.914 20 0 FHADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422891853 943314146 /nfs/dbraw/zinc/31/41/46/943314146.db2.gz LSGMEKITWFOHHD-QHAWAJNXSA-N 2 0 356.558 3.718 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422882475 943316261 /nfs/dbraw/zinc/31/62/61/943316261.db2.gz SJAQFZXTZGOTPV-OAHLLOKOSA-N 2 0 369.347 3.604 20 0 FHADRP CC[C@H](C)[C@H]([NH2+][C@H](C)CCC[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422883126 943316276 /nfs/dbraw/zinc/31/62/76/943316276.db2.gz BPZRDYCTVWZDTE-JQVVWYNYSA-N 2 0 373.585 3.599 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883522 943316961 /nfs/dbraw/zinc/31/69/61/943316961.db2.gz QOXMLXDNDWHCGU-QMMLZNLJSA-N 2 0 369.578 3.825 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422888253 943318087 /nfs/dbraw/zinc/31/80/87/943318087.db2.gz CHKYKZHNKDZSTM-LEWJYISDSA-N 2 0 353.510 3.642 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCCC[C@@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422886550 943318255 /nfs/dbraw/zinc/31/82/55/943318255.db2.gz WXLOJGWCKPLPSE-BWAGFHJFSA-N 2 0 359.558 3.733 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889160 943318993 /nfs/dbraw/zinc/31/89/93/943318993.db2.gz FIOVZUMTGGKHRC-HNNXBMFYSA-N 2 0 368.363 3.521 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422890411 943319597 /nfs/dbraw/zinc/31/95/97/943319597.db2.gz RXJXBLATFPGPSY-WKUQZLKGSA-N 3 0 366.553 3.656 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)C)CC[NH2+]CC1 ZINC000422869853 943320529 /nfs/dbraw/zinc/32/05/29/943320529.db2.gz ASMMNURWMMVWBQ-KSSFIOAISA-N 2 0 368.468 3.573 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422899420 943324474 /nfs/dbraw/zinc/32/44/74/943324474.db2.gz HMCLALSHJXFPPK-QGTPRVQTSA-N 2 0 370.459 3.859 20 0 FHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000422903300 943325400 /nfs/dbraw/zinc/32/54/00/943325400.db2.gz FJBVHACCRJIUMQ-RJGXRXQPSA-N 2 0 350.506 3.909 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422902876 943325708 /nfs/dbraw/zinc/32/57/08/943325708.db2.gz DVONXGPXDSWQAA-AMZGXZFVSA-N 2 0 364.537 3.695 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422902877 943326005 /nfs/dbraw/zinc/32/60/05/943326005.db2.gz DVONXGPXDSWQAA-IRFPFTSISA-N 2 0 364.537 3.695 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCOCC1 ZINC000422906253 943326418 /nfs/dbraw/zinc/32/64/18/943326418.db2.gz UVHHGDUNDQEWCZ-MAUKXSAKSA-N 2 0 366.933 3.504 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422904574 943326470 /nfs/dbraw/zinc/32/64/70/943326470.db2.gz XOLUXJIXXYHWKZ-YSIASYRMSA-N 2 0 358.526 3.624 20 0 FHADRP CC(C)c1nc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422904783 943326523 /nfs/dbraw/zinc/32/65/23/943326523.db2.gz QPSOZNKMEOYTQO-YLJYHZDGSA-N 2 0 357.523 3.655 20 0 FHADRP Cc1csc(CCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422906295 943326570 /nfs/dbraw/zinc/32/65/70/943326570.db2.gz JNEKCBDNXMFMLH-FXAWDEMLSA-N 2 0 357.523 3.620 20 0 FHADRP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907739 943327200 /nfs/dbraw/zinc/32/72/00/943327200.db2.gz CHEDNOUKDFMXJJ-FGTMMUONSA-N 2 0 356.539 3.648 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000422917318 943329627 /nfs/dbraw/zinc/32/96/27/943329627.db2.gz FXIPVDXNUORXEK-UZLBHIALSA-N 2 0 362.901 3.782 20 0 FHADRP Cc1ccc(OCCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422894053 943330955 /nfs/dbraw/zinc/33/09/55/943330955.db2.gz BLSDOPHIQGKHHL-GMAHTHKFSA-N 2 0 366.505 4.000 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CCOCC2)cc1 ZINC000422895764 943331285 /nfs/dbraw/zinc/33/12/85/943331285.db2.gz GNTRVPPPDXWOFS-AZUAARDMSA-N 2 0 360.542 3.644 20 0 FHADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922754 943332536 /nfs/dbraw/zinc/33/25/36/943332536.db2.gz UGUOLKZMIRAIDE-CEWLAPEOSA-N 2 0 372.896 3.873 20 0 FHADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1)N1CCCCC1 ZINC000422924352 943332669 /nfs/dbraw/zinc/33/26/69/943332669.db2.gz ARDUSHNVYZUEEF-BHIFYINESA-N 2 0 369.553 3.713 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCCCO2 ZINC000422924719 943333220 /nfs/dbraw/zinc/33/32/20/943333220.db2.gz BARIRBMAWFIAFV-RYQLBKOJSA-N 2 0 364.917 3.902 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422934544 943337053 /nfs/dbraw/zinc/33/70/53/943337053.db2.gz JTLUTPKXQVKTBA-ACJLOTCBSA-N 2 0 365.290 3.679 20 0 FHADRP FC(F)COc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422936420 943337524 /nfs/dbraw/zinc/33/75/24/943337524.db2.gz BPHOIAFHZOGWRI-NQIIRXRSSA-N 2 0 374.431 3.676 20 0 FHADRP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000422936118 943337921 /nfs/dbraw/zinc/33/79/21/943337921.db2.gz IAWBIQKXICHTDS-PXNSSMCTSA-N 2 0 358.869 3.694 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422939161 943338137 /nfs/dbraw/zinc/33/81/37/943338137.db2.gz HVOULLKIWYBTDQ-KDOFPFPSSA-N 2 0 352.400 3.632 20 0 FHADRP Brc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422938061 943338206 /nfs/dbraw/zinc/33/82/06/943338206.db2.gz PEIUVZBKZXYFDR-HKUYNNGSSA-N 2 0 373.294 3.795 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000422939276 943338228 /nfs/dbraw/zinc/33/82/28/943338228.db2.gz LSWPLTVAHKRNBF-SIKLNZKXSA-N 2 0 371.569 3.511 20 0 FHADRP CCC[N@H+](Cc1cncn1C(C)C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000425342017 943339049 /nfs/dbraw/zinc/33/90/49/943339049.db2.gz YBWKMZMZHZOWBK-UHFFFAOYSA-N 2 0 370.545 3.752 20 0 FHADRP C[C@H](CC[N@@H+]1CC[C@@H](c2ccncc2)C1)[NH+]1CC[C@H](c2ccncc2)C1 ZINC000584662850 943340031 /nfs/dbraw/zinc/34/00/31/943340031.db2.gz MWSVKRRENFQTHX-QIJUGHKUSA-N 2 0 350.510 3.534 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422918908 943341727 /nfs/dbraw/zinc/34/17/27/943341727.db2.gz IXFABADBTFBXGU-KDXIVRHGSA-N 2 0 357.542 3.630 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422964368 943342992 /nfs/dbraw/zinc/34/29/92/943342992.db2.gz LJZWDHKAZZSMNX-BHDDXSALSA-N 2 0 352.526 3.624 20 0 FHADRP C[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000414707456 943344402 /nfs/dbraw/zinc/34/44/02/943344402.db2.gz HYWGIIMEPVEKLH-IRXDYDNUSA-N 2 0 358.530 3.665 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422947034 943345613 /nfs/dbraw/zinc/34/56/13/943345613.db2.gz POFDVPGHBBQTTM-OJGORLPRSA-N 2 0 362.517 3.626 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000503704013 943346195 /nfs/dbraw/zinc/34/61/95/943346195.db2.gz MHHNSJFDSRAYQF-QUCCMNQESA-N 2 0 374.573 3.632 20 0 FHADRP FC(F)Oc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422949829 943346690 /nfs/dbraw/zinc/34/66/90/943346690.db2.gz WSTQKDWWIYXOGF-PXNSSMCTSA-N 2 0 360.404 3.634 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2Br ZINC000422958103 943349499 /nfs/dbraw/zinc/34/94/99/943349499.db2.gz OOQUNBJSKHZFDA-SGTLLEGYSA-N 2 0 360.299 3.949 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957470 943349965 /nfs/dbraw/zinc/34/99/65/943349965.db2.gz UGXONKUFPCIYJR-QFBILLFUSA-N 2 0 366.534 3.686 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1)C1CCCCC1 ZINC000414708845 943351611 /nfs/dbraw/zinc/35/16/11/943351611.db2.gz JIXJLNHBKKQPHT-NRFANRHFSA-N 2 0 358.530 3.654 20 0 FHADRP CCCOc1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995053 943353522 /nfs/dbraw/zinc/35/35/22/943353522.db2.gz WXBWTCUABDJERA-GGAORHGYSA-N 2 0 366.505 3.863 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435374239 943355980 /nfs/dbraw/zinc/35/59/80/943355980.db2.gz XAFOIUMMWVZLJP-RDTXWAMCSA-N 2 0 360.933 3.761 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435375094 943356777 /nfs/dbraw/zinc/35/67/77/943356777.db2.gz ZOHBCXJHYXLTSU-APWZRJJASA-N 2 0 367.493 3.507 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981300 943357092 /nfs/dbraw/zinc/35/70/92/943357092.db2.gz NSCCBSDUPXYQJE-KSFYIVLOSA-N 2 0 353.510 3.984 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000422982538 943357760 /nfs/dbraw/zinc/35/77/60/943357760.db2.gz RALVDBBVDFHYER-XJKSGUPXSA-N 2 0 363.527 3.532 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423003284 943361440 /nfs/dbraw/zinc/36/14/40/943361440.db2.gz HHFBAHLYJCOTLU-DNVJHFABSA-N 3 0 367.537 3.922 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000435371684 943364806 /nfs/dbraw/zinc/36/48/06/943364806.db2.gz WNUWJGKKHPFBDK-UHFFFAOYSA-N 2 0 353.510 3.709 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000423015423 943365334 /nfs/dbraw/zinc/36/53/34/943365334.db2.gz QVQXNRAVFOKUKJ-IIBYNOLFSA-N 2 0 354.494 3.521 20 0 FHADRP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423019111 943365805 /nfs/dbraw/zinc/36/58/05/943365805.db2.gz TZAWAJCFIUOMHA-ZJOIDMRUSA-N 2 0 355.320 3.632 20 0 FHADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000423021097 943367265 /nfs/dbraw/zinc/36/72/65/943367265.db2.gz DIICDBJJEZHEOT-DYESRHJHSA-N 2 0 371.550 3.829 20 0 FHADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028233 943370714 /nfs/dbraw/zinc/37/07/14/943370714.db2.gz SJWGINZVPYQZMZ-JECZMYCTSA-N 2 0 351.897 3.568 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026656 943371054 /nfs/dbraw/zinc/37/10/54/943371054.db2.gz BUBCDJATCLZCGR-CRAIPNDOSA-N 2 0 360.477 3.709 20 0 FHADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000423033673 943372576 /nfs/dbraw/zinc/37/25/76/943372576.db2.gz OWGWMTRFRSJBQN-GUDVDZBRSA-N 2 0 372.488 3.709 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000435386323 943373389 /nfs/dbraw/zinc/37/33/89/943373389.db2.gz UHTDYLLKVXFUQA-UHFFFAOYSA-N 2 0 370.541 3.745 20 0 FHADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414713289 943373928 /nfs/dbraw/zinc/37/39/28/943373928.db2.gz ONLHBQHBMSQJOG-IAGOWNOFSA-N 2 0 358.530 3.652 20 0 FHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423043027 943375319 /nfs/dbraw/zinc/37/53/19/943375319.db2.gz NATSFKHRLYMCRJ-QTPAZIJBSA-N 2 0 358.526 3.816 20 0 FHADRP COc1ccccc1-c1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000435389097 943376317 /nfs/dbraw/zinc/37/63/17/943376317.db2.gz ITYMLVLPRJZBDE-UHFFFAOYSA-N 2 0 354.494 3.692 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057186 943377155 /nfs/dbraw/zinc/37/71/55/943377155.db2.gz ZLKZAPZRFXBFMX-IAOVAPTHSA-N 2 0 354.897 3.503 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423062370 943378201 /nfs/dbraw/zinc/37/82/01/943378201.db2.gz MUTUFJPAGNDJKW-ZDUSSCGKSA-N 2 0 356.901 3.887 20 0 FHADRP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000435391892 943378922 /nfs/dbraw/zinc/37/89/22/943378922.db2.gz UPDJVDKDDGHDEU-UHFFFAOYSA-N 2 0 354.494 3.692 20 0 FHADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423079862 943386473 /nfs/dbraw/zinc/38/64/73/943386473.db2.gz RGQCRMMCOXVUKQ-YESZJQIVSA-N 2 0 371.447 3.770 20 0 FHADRP FC(F)(F)c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423094555 943392017 /nfs/dbraw/zinc/39/20/17/943392017.db2.gz KJXQOSBQHYJSGL-GPFWEFOESA-N 2 0 368.443 3.698 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097761 943393254 /nfs/dbraw/zinc/39/32/54/943393254.db2.gz BIGWTBACRNCIBD-ICSRJNTNSA-N 3 0 359.558 3.560 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097763 943393476 /nfs/dbraw/zinc/39/34/76/943393476.db2.gz BIGWTBACRNCIBD-UYAOXDASSA-N 3 0 359.558 3.560 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423116289 943395672 /nfs/dbraw/zinc/39/56/72/943395672.db2.gz PFAXBQVHVKPUJX-SNVBAGLBSA-N 2 0 366.674 3.552 20 0 FHADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119858 943397168 /nfs/dbraw/zinc/39/71/68/943397168.db2.gz FPKWMNJHQCLXPE-JZWVFAODSA-N 2 0 366.505 3.827 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423125758 943399096 /nfs/dbraw/zinc/39/90/96/943399096.db2.gz ACSDBEMFQVVZHM-YESZJQIVSA-N 2 0 366.933 3.800 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423107858 943403738 /nfs/dbraw/zinc/40/37/38/943403738.db2.gz FMYNYNUFNMUQPU-GCJKJVERSA-N 2 0 366.553 3.800 20 0 FHADRP Fc1cccc(CCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000503918014 943408208 /nfs/dbraw/zinc/40/82/08/943408208.db2.gz NZPXXSIDWFOKTM-SFHVURJKSA-N 2 0 359.514 3.859 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000503921504 943409376 /nfs/dbraw/zinc/40/93/76/943409376.db2.gz QWDWSICHVICSEY-UHFFFAOYSA-N 2 0 362.468 3.589 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2O1 ZINC000423153422 943410991 /nfs/dbraw/zinc/41/09/91/943410991.db2.gz GMCHDTCDPQCLBY-CIVUBGFFSA-N 2 0 350.462 3.744 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423137377 943415135 /nfs/dbraw/zinc/41/51/35/943415135.db2.gz WJBRBTVXLKSFOH-JSGCOSHPSA-N 2 0 370.946 3.690 20 0 FHADRP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435439029 943418028 /nfs/dbraw/zinc/41/80/28/943418028.db2.gz SOYHGUHVIWJLIL-GFCCVEGCSA-N 2 0 363.246 3.624 20 0 FHADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143896 943419335 /nfs/dbraw/zinc/41/93/35/943419335.db2.gz FJZQEBIXXUZZLP-NCYKPQTJSA-N 2 0 361.599 3.912 20 0 FHADRP CSC1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC[NH+](C)CC1 ZINC000514977120 943429548 /nfs/dbraw/zinc/42/95/48/943429548.db2.gz VCEOHCXRQJBSFV-UHFFFAOYSA-N 2 0 353.582 3.789 20 0 FHADRP CC[N@H+](CCC1CC[NH+](CCc2nc(C(C)=O)c(C)[nH]2)CC1)CC(C)C ZINC000660171770 943433713 /nfs/dbraw/zinc/43/37/13/943433713.db2.gz MSWBRQRSKNEISN-UHFFFAOYSA-N 2 0 362.562 3.543 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423263430 943454925 /nfs/dbraw/zinc/45/49/25/943454925.db2.gz XGHGEHYNAMQALC-NWDGAFQWSA-N 2 0 364.383 3.930 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423245421 943457462 /nfs/dbraw/zinc/45/74/62/943457462.db2.gz IVACIUJCELRHKJ-WDEREUQCSA-N 2 0 350.356 3.540 20 0 FHADRP CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414727422 943457525 /nfs/dbraw/zinc/45/75/25/943457525.db2.gz BCMZHDJBPSMHFG-GJZGRUSLSA-N 2 0 371.447 3.742 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000423252631 943460120 /nfs/dbraw/zinc/46/01/20/943460120.db2.gz XXBGKZXPWODVHM-QIJUGHKUSA-N 2 0 361.574 3.536 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000423252630 943460216 /nfs/dbraw/zinc/46/02/16/943460216.db2.gz XXBGKZXPWODVHM-NYVOZVTQSA-N 2 0 361.574 3.536 20 0 FHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283160 943463408 /nfs/dbraw/zinc/46/34/08/943463408.db2.gz XJNBSWVSPFGWKB-BZNIZROVSA-N 2 0 350.304 3.753 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000423317998 943473866 /nfs/dbraw/zinc/47/38/66/943473866.db2.gz YYEDVZXGNGGQAM-KRWDZBQOSA-N 2 0 351.494 3.622 20 0 FHADRP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414733830 943482133 /nfs/dbraw/zinc/48/21/33/943482133.db2.gz KGSOCUWSMFLBTP-UONOGXRCSA-N 2 0 362.905 3.589 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000423332167 943482602 /nfs/dbraw/zinc/48/26/02/943482602.db2.gz PATXLBVTKSSLQS-JOCHJYFZSA-N 2 0 368.521 3.967 20 0 FHADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CC2=CC[NH2+]CC2)nc1 ZINC000423354358 943488396 /nfs/dbraw/zinc/48/83/96/943488396.db2.gz NKECBTBYGRVRBL-JOCHJYFZSA-N 2 0 369.940 3.961 20 0 FHADRP C[C@@H](C[NH3+])N[C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423359232 943490499 /nfs/dbraw/zinc/49/04/99/943490499.db2.gz CZOFWDBTJYBOEB-GXFFZTMASA-N 2 0 366.328 3.887 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000423369486 943493764 /nfs/dbraw/zinc/49/37/64/943493764.db2.gz DWRCYNWEEJCUTM-OAHLLOKOSA-N 2 0 355.507 3.507 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423419651 943504068 /nfs/dbraw/zinc/50/40/68/943504068.db2.gz IUCNHTVOZJMKGA-NTKDMRAZSA-N 2 0 363.549 3.559 20 0 FHADRP C[N@@H+]1CCC[C@H](CNCc2c[nH]cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281442 943508089 /nfs/dbraw/zinc/50/80/89/943508089.db2.gz UUCVOCIODGNVCA-PBHICJAKSA-N 2 0 352.404 3.601 20 0 FHADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000423413568 943510414 /nfs/dbraw/zinc/51/04/14/943510414.db2.gz ZMFLZZLWHIOOBW-INIZCTEOSA-N 2 0 373.310 3.645 20 0 FHADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)CCC[NH3+] ZINC000423449661 943514318 /nfs/dbraw/zinc/51/43/18/943514318.db2.gz GOBHHGLRSWUDKI-WDEREUQCSA-N 2 0 365.827 3.793 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423435055 943518573 /nfs/dbraw/zinc/51/85/73/943518573.db2.gz ONTMECYREDFRKM-RYRKJORJSA-N 2 0 352.494 3.942 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000423434949 943518708 /nfs/dbraw/zinc/51/87/08/943518708.db2.gz YRKXUMAVTVRHPL-FVQBIDKESA-N 2 0 361.921 3.645 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000924963556 943522184 /nfs/dbraw/zinc/52/21/84/943522184.db2.gz KUGIADCQCRTPCP-LJQANCHMSA-N 2 0 374.326 3.865 20 0 FHADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148398 943524081 /nfs/dbraw/zinc/52/40/81/943524081.db2.gz VWCPJVLTDHESQK-UYAOXDASSA-N 2 0 374.573 3.502 20 0 FHADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CCC2 ZINC000423475578 943526515 /nfs/dbraw/zinc/52/65/15/943526515.db2.gz QCDOROKLAOYNCC-CGTJXYLNSA-N 2 0 359.514 3.951 20 0 FHADRP CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435626473 943526940 /nfs/dbraw/zinc/52/69/40/943526940.db2.gz KQUMXCOXIAQRGK-AWEZNQCLSA-N 2 0 358.313 3.786 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423453353 943528240 /nfs/dbraw/zinc/52/82/40/943528240.db2.gz KMSSYKPSZDHYPL-BDJLRTHQSA-N 2 0 355.251 3.988 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417350590 943529052 /nfs/dbraw/zinc/52/90/52/943529052.db2.gz AJBNYXOQFMSUIV-NRFANRHFSA-N 2 0 374.573 3.577 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423495330 943536868 /nfs/dbraw/zinc/53/68/68/943536868.db2.gz BSRNTSGSZWBQEV-QTGUNEKASA-N 2 0 351.538 3.749 20 0 FHADRP CCc1ccccc1[C@H](N)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496110 943537849 /nfs/dbraw/zinc/53/78/49/943537849.db2.gz DFUOXKXZQMKPIC-VGOFRKELSA-N 2 0 355.526 3.540 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(C)c1 ZINC000423533779 943540132 /nfs/dbraw/zinc/54/01/32/943540132.db2.gz YMIVKRNHFSEFAP-ZOSNZDNESA-N 2 0 369.553 3.764 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000423512595 943541528 /nfs/dbraw/zinc/54/15/28/943541528.db2.gz OUBGHERASWOQAD-IVMQYODDSA-N 2 0 370.566 3.677 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc(OC)c1OC ZINC000423516547 943543174 /nfs/dbraw/zinc/54/31/74/943543174.db2.gz YAQWYOSJJYDESE-YJBOKZPZSA-N 2 0 358.482 3.843 20 0 FHADRP Cc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423520585 943544751 /nfs/dbraw/zinc/54/47/51/943544751.db2.gz RNGMDUVUERIGHL-VHYCJAOWSA-N 2 0 363.549 3.890 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1Cl ZINC000423522222 943545406 /nfs/dbraw/zinc/54/54/06/943545406.db2.gz UFBWNMBLXJDETO-WLYUNCDWSA-N 2 0 356.341 3.860 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423536778 943550185 /nfs/dbraw/zinc/55/01/85/943550185.db2.gz AYPRVNFGNVMPDS-ZJOBFFGXSA-N 2 0 365.315 3.641 20 0 FHADRP NC1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423541922 943552401 /nfs/dbraw/zinc/55/24/01/943552401.db2.gz BCSPBGZSRALPSQ-QHCPKHFHSA-N 2 0 363.549 3.591 20 0 FHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423543168 943552666 /nfs/dbraw/zinc/55/26/66/943552666.db2.gz BOHXVUOVTJFMKX-LJQANCHMSA-N 2 0 367.537 3.648 20 0 FHADRP CCOc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423543978 943552681 /nfs/dbraw/zinc/55/26/81/943552681.db2.gz CARYANHEQYAFPI-LJQANCHMSA-N 2 0 367.537 3.729 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000423551801 943555227 /nfs/dbraw/zinc/55/52/27/943555227.db2.gz UGHHGVNDHBKHKB-RMEPHLEKSA-N 2 0 354.469 3.901 20 0 FHADRP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423575117 943561579 /nfs/dbraw/zinc/56/15/79/943561579.db2.gz PWNYFYGKJMEVJF-INIZCTEOSA-N 2 0 359.464 3.609 20 0 FHADRP C[C@H]1C[C@H](C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414752651 943571586 /nfs/dbraw/zinc/57/15/86/943571586.db2.gz LACRSVYPKMEUGL-LSDHHAIUSA-N 2 0 367.331 3.680 20 0 FHADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753023 943573636 /nfs/dbraw/zinc/57/36/36/943573636.db2.gz CXLVJBGVKPAWTB-IOASZLSFSA-N 2 0 353.304 3.593 20 0 FHADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753025 943573981 /nfs/dbraw/zinc/57/39/81/943573981.db2.gz CXLVJBGVKPAWTB-WWGRRREGSA-N 2 0 353.304 3.593 20 0 FHADRP C[C@H]1C[C@@H](C[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414754953 943584848 /nfs/dbraw/zinc/58/48/48/943584848.db2.gz OHTQMKHJAFPOBG-RDJZCZTQSA-N 2 0 370.368 3.542 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000515239407 943590679 /nfs/dbraw/zinc/59/06/79/943590679.db2.gz DYKNEPLCKAMILB-HKBOAZHASA-N 2 0 355.526 3.778 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000424111155 943736401 /nfs/dbraw/zinc/73/64/01/943736401.db2.gz FVNCHMAPUXLHMW-YLJYHZDGSA-N 2 0 357.542 3.550 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000424131237 943757583 /nfs/dbraw/zinc/75/75/83/943757583.db2.gz IRPXREGCVLMKBU-ROUUACIJSA-N 2 0 351.560 3.545 20 0 FHADRP O=C(CCCc1ccccc1)NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000424188086 943777454 /nfs/dbraw/zinc/77/74/54/943777454.db2.gz KWXUOGHSXUOFRP-UHFFFAOYSA-N 2 0 371.569 3.512 20 0 FHADRP [NH3+][C@H](CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)CC1CCCCC1 ZINC000424202319 943785765 /nfs/dbraw/zinc/78/57/65/943785765.db2.gz SRSVMMQGFKNPAO-MRXNPFEDSA-N 2 0 364.559 3.627 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000424267042 943814258 /nfs/dbraw/zinc/81/42/58/943814258.db2.gz LUZJNUSASVDJOQ-UHFFFAOYSA-N 2 0 358.526 3.882 20 0 FHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873184 943837853 /nfs/dbraw/zinc/83/78/53/943837853.db2.gz ULQYIEVLGQMBMO-ICSRJNTNSA-N 2 0 357.542 3.593 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873186 943838007 /nfs/dbraw/zinc/83/80/07/943838007.db2.gz ULQYIEVLGQMBMO-UYAOXDASSA-N 2 0 357.542 3.593 20 0 FHADRP CC[N@H+](C[C@@H](OC)C1CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000425415629 943851244 /nfs/dbraw/zinc/85/12/44/943851244.db2.gz KDGNCCRDROPLKI-LJQANCHMSA-N 2 0 360.546 3.624 20 0 FHADRP CC(C)C1CCC([NH+]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000424307787 943853898 /nfs/dbraw/zinc/85/38/98/943853898.db2.gz YMVILVFYBJLUDJ-AATLZSDMSA-N 2 0 361.549 3.700 20 0 FHADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959937 943864103 /nfs/dbraw/zinc/86/41/03/943864103.db2.gz VSDMGGPCXJNUQP-NOTZXAQLSA-N 3 0 353.554 3.777 20 0 FHADRP COc1cc([C@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)ccc1F ZINC000504899286 943876582 /nfs/dbraw/zinc/87/65/82/943876582.db2.gz DHUKSMSJVJPDOV-INIZCTEOSA-N 2 0 360.473 3.668 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424377182 943887410 /nfs/dbraw/zinc/88/74/10/943887410.db2.gz LVZFZAVZXVNUES-HNNXBMFYSA-N 2 0 356.489 3.592 20 0 FHADRP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000424380386 943888949 /nfs/dbraw/zinc/88/89/49/943888949.db2.gz XCWQMPUDBMHZDY-MAODMQOUSA-N 2 0 364.493 3.834 20 0 FHADRP CC(C)(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000417824856 943891140 /nfs/dbraw/zinc/89/11/40/943891140.db2.gz MFUJEYRMORAIBX-INIZCTEOSA-N 2 0 365.399 3.829 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H]2CCC[NH2+]2)o1 ZINC000414907590 943892649 /nfs/dbraw/zinc/89/26/49/943892649.db2.gz QOMGFALVIHOXKF-GOSISDBHSA-N 2 0 350.466 3.672 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000424418232 943897056 /nfs/dbraw/zinc/89/70/56/943897056.db2.gz PKAJYEQTJDSUJV-UHFFFAOYSA-N 2 0 366.509 3.630 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000424438570 943913599 /nfs/dbraw/zinc/91/35/99/943913599.db2.gz QBXMPMUKHFTXAC-UHFFFAOYSA-N 2 0 372.538 3.549 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424447123 943919643 /nfs/dbraw/zinc/91/96/43/943919643.db2.gz UEIWTOVXNZWRAH-HXUWFJFHSA-N 2 0 354.498 3.658 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000424448512 943920330 /nfs/dbraw/zinc/92/03/30/943920330.db2.gz YELKUJWTYSIMMK-UHFFFAOYSA-N 2 0 358.530 3.574 20 0 FHADRP CSc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000424426068 943922174 /nfs/dbraw/zinc/92/21/74/943922174.db2.gz KZWXTTJOKBBYRW-LJQANCHMSA-N 2 0 372.538 3.600 20 0 FHADRP C[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000425439999 943925833 /nfs/dbraw/zinc/92/58/33/943925833.db2.gz BIYMEBGLRZKIJZ-SFHVURJKSA-N 2 0 369.553 3.735 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044847 943946783 /nfs/dbraw/zinc/94/67/83/943946783.db2.gz KESLRPYMJBEPJL-ROUUACIJSA-N 2 0 355.530 3.566 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517165 943948810 /nfs/dbraw/zinc/94/88/10/943948810.db2.gz LQFKZDGAQLGDPU-NVXWUHKLSA-N 2 0 363.552 3.590 20 0 FHADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000517046364 943949417 /nfs/dbraw/zinc/94/94/17/943949417.db2.gz FCMQTWMGBCQHEA-CRAIPNDOSA-N 2 0 373.463 3.652 20 0 FHADRP Cc1ccccc1-c1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414797937 943990262 /nfs/dbraw/zinc/99/02/62/943990262.db2.gz YZUUSNVSYPUQSA-PKTZIBPZSA-N 2 0 350.506 3.990 20 0 FHADRP CCCCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000437648717 943998338 /nfs/dbraw/zinc/99/83/38/943998338.db2.gz HDPCLAAALUBVSB-OAQYLSRUSA-N 2 0 374.573 3.909 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414800060 944012927 /nfs/dbraw/zinc/01/29/27/944012927.db2.gz KNVTYBALBBQDSB-WMZOPIPTSA-N 2 0 366.431 3.557 20 0 FHADRP COC(=O)[C@H](CC[NH+]1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000425472857 944056504 /nfs/dbraw/zinc/05/65/04/944056504.db2.gz IJRNIWXMGRVLRS-HXUWFJFHSA-N 2 0 368.477 3.580 20 0 FHADRP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207487998 944067981 /nfs/dbraw/zinc/06/79/81/944067981.db2.gz BIIQYLRGINRMMY-AWEZNQCLSA-N 2 0 351.332 3.928 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811387 944094205 /nfs/dbraw/zinc/09/42/05/944094205.db2.gz WBLVONGLOQTMDF-IFXJQAMLSA-N 2 0 353.913 3.551 20 0 FHADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000436237485 944140030 /nfs/dbraw/zinc/14/00/30/944140030.db2.gz GQYNGRWBWOUJKK-GOSISDBHSA-N 2 0 366.534 3.792 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000436237069 944140063 /nfs/dbraw/zinc/14/00/63/944140063.db2.gz FYYXGQCFQHSOPN-UHFFFAOYSA-N 2 0 367.468 3.554 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000425912123 944151298 /nfs/dbraw/zinc/15/12/98/944151298.db2.gz CNHVVXYMNOHOQX-HQHQBECKSA-N 2 0 372.553 3.986 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000436281964 944161971 /nfs/dbraw/zinc/16/19/71/944161971.db2.gz HTUWDGCWVRZURO-CDJZJNNCSA-N 2 0 370.537 3.609 20 0 FHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+](C)C ZINC000418188416 944246940 /nfs/dbraw/zinc/24/69/40/944246940.db2.gz UHCKBLZHYWBSDO-LZJOCLMNSA-N 2 0 368.525 3.505 20 0 FHADRP C[NH+](C)[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568145 944267773 /nfs/dbraw/zinc/26/77/73/944267773.db2.gz ZJOPEQJSIUCQEZ-HRVKUGKESA-N 2 0 365.562 3.581 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000517405304 944274036 /nfs/dbraw/zinc/27/40/36/944274036.db2.gz HXQQIBHVTVHQFF-NHCUHLMSSA-N 2 0 357.542 3.546 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cs1)c1ccc(C)cc1 ZINC000414976399 944275100 /nfs/dbraw/zinc/27/51/00/944275100.db2.gz PUPRGKROYGWXPK-QGZVFWFLSA-N 2 0 372.538 3.758 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436400766 944276793 /nfs/dbraw/zinc/27/67/93/944276793.db2.gz LOBSQLBUNXLIAF-NKKJXINNSA-N 2 0 364.533 3.754 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436400015 944277489 /nfs/dbraw/zinc/27/74/89/944277489.db2.gz HJSNWFASGBWDKC-LJQANCHMSA-N 2 0 367.468 3.554 20 0 FHADRP COCC1(C[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC[NH2+]CC1 ZINC000414978375 944302434 /nfs/dbraw/zinc/30/24/34/944302434.db2.gz SOSDBBGZUSUJCU-UHFFFAOYSA-N 2 0 368.521 3.776 20 0 FHADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1CCOCC1 ZINC000187895257 944328621 /nfs/dbraw/zinc/32/86/21/944328621.db2.gz SNDSZJPZXPZXDA-QFIPXVFZSA-N 2 0 360.542 3.594 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)on1 ZINC000518393074 944347680 /nfs/dbraw/zinc/34/76/80/944347680.db2.gz JFRKHDDKMDXTSY-HOCLYGCPSA-N 2 0 351.450 3.815 20 0 FHADRP CC1(C)C[N@H+](CCn2ccnc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836758 944347882 /nfs/dbraw/zinc/34/78/82/944347882.db2.gz XCDNIUYULHRDNV-OAQYLSRUSA-N 2 0 352.526 3.506 20 0 FHADRP Cn1ncc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000438114100 944350159 /nfs/dbraw/zinc/35/01/59/944350159.db2.gz HNWAMIORCDRKPC-UHFFFAOYSA-N 2 0 358.917 3.562 20 0 FHADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000550180373 944359548 /nfs/dbraw/zinc/35/95/48/944359548.db2.gz BLGIUZJJAAEXQT-DYESRHJHSA-N 2 0 362.477 3.632 20 0 FHADRP Fc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)cc1 ZINC001167975841 944372251 /nfs/dbraw/zinc/37/22/51/944372251.db2.gz XBEOIWZDHFAOSH-FRIKZZABSA-N 2 0 372.528 3.912 20 0 FHADRP CCOc1ccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000292001027 944373585 /nfs/dbraw/zinc/37/35/85/944373585.db2.gz XIIZIKGICZDOFH-RBBKRZOGSA-N 2 0 360.542 3.705 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000426300204 944397138 /nfs/dbraw/zinc/39/71/38/944397138.db2.gz CULWSTPKWYPPLS-CEXWTWQISA-N 2 0 370.566 3.704 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000426300207 944397267 /nfs/dbraw/zinc/39/72/67/944397267.db2.gz CULWSTPKWYPPLS-IPMKNSEASA-N 2 0 370.566 3.704 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000426295139 944398667 /nfs/dbraw/zinc/39/86/67/944398667.db2.gz XFDMTIQQBBVYLH-REPLKXPHSA-N 2 0 370.566 3.989 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280782184 944408155 /nfs/dbraw/zinc/40/81/55/944408155.db2.gz GWRWHSQFEYDYSE-QHCPKHFHSA-N 2 0 365.521 3.669 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000438212299 944418173 /nfs/dbraw/zinc/41/81/73/944418173.db2.gz HILXNJMAQJJPPS-IRXDYDNUSA-N 2 0 358.448 3.880 20 0 FHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000311255388 944458766 /nfs/dbraw/zinc/45/87/66/944458766.db2.gz DAZVIOSFUCFKHJ-GUDVDZBRSA-N 2 0 367.578 3.876 20 0 FHADRP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CS2 ZINC001167982156 944527743 /nfs/dbraw/zinc/52/77/43/944527743.db2.gz YSCBLFCFHLKBKM-HRVKUGKESA-N 2 0 358.551 3.707 20 0 FHADRP Cc1nc2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2s1 ZINC000426353180 944535832 /nfs/dbraw/zinc/53/58/32/944535832.db2.gz TVGPBGCUHNBBEA-UHFFFAOYSA-N 2 0 373.566 3.929 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414995480 944538479 /nfs/dbraw/zinc/53/84/79/944538479.db2.gz FSQWIYGHPRJPDA-ZWNOBZJWSA-N 2 0 363.246 3.658 20 0 FHADRP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238103 944545166 /nfs/dbraw/zinc/54/51/66/944545166.db2.gz RJUNRPFRWORQPR-QFIPXVFZSA-N 2 0 354.542 3.933 20 0 FHADRP CC[C@H]1C[NH+](Cc2cccc(C[N@@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000439476618 944657838 /nfs/dbraw/zinc/65/78/38/944657838.db2.gz RSKWJMUFDOVAMI-VXKWHMMOSA-N 2 0 360.542 3.688 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999664 944674529 /nfs/dbraw/zinc/67/45/29/944674529.db2.gz JPFMSBNBBOESFH-AEFFLSMTSA-N 2 0 360.933 3.809 20 0 FHADRP Cc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000638739505 944694219 /nfs/dbraw/zinc/69/42/19/944694219.db2.gz YOOZSJHGQXHAMX-UHFFFAOYSA-N 2 0 359.539 3.612 20 0 FHADRP CCOc1c(OC)cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000506888752 944707479 /nfs/dbraw/zinc/70/74/79/944707479.db2.gz AGDNWLVHRGZECO-UHFFFAOYSA-N 2 0 364.530 3.656 20 0 FHADRP Fc1ccc([C@H]2CC[NH2+]C[C@H]2C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000415000376 944725568 /nfs/dbraw/zinc/72/55/68/944725568.db2.gz KDYONAZATNUOMP-QFBILLFUSA-N 2 0 364.411 3.910 20 0 FHADRP C[NH+](C)CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000195203604 944826449 /nfs/dbraw/zinc/82/64/49/944826449.db2.gz JUSFHMWJPIVKRG-OXJNMPFZSA-N 2 0 355.567 3.590 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511677895 944903455 /nfs/dbraw/zinc/90/34/55/944903455.db2.gz RQMMELLFFKUOID-WZONZLPQSA-N 2 0 371.569 3.911 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000505937927 944943751 /nfs/dbraw/zinc/94/37/51/944943751.db2.gz ZWCTXEGBCULVGT-VWPQPMDRSA-N 2 0 371.569 3.792 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000518029884 944949475 /nfs/dbraw/zinc/94/94/75/944949475.db2.gz XJAYIAUTBUFRIM-IRLDBZIGSA-N 2 0 371.569 3.669 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000439784255 944969188 /nfs/dbraw/zinc/96/91/88/944969188.db2.gz VYGGYVZSGQYWFT-QHCPKHFHSA-N 2 0 371.569 3.610 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1NCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414946079 944981056 /nfs/dbraw/zinc/98/10/56/944981056.db2.gz SLQMQNSELMOMHH-AUUYWEPGSA-N 2 0 357.885 3.680 20 0 FHADRP Clc1ccc(SCC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000660466684 944981512 /nfs/dbraw/zinc/98/15/12/944981512.db2.gz BABFQPGUZKFEGG-KRWDZBQOSA-N 2 0 354.947 3.619 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414947184 945004768 /nfs/dbraw/zinc/00/47/68/945004768.db2.gz VLJFEMYWSNRTGW-XMSQKQJNSA-N 2 0 360.505 3.935 20 0 FHADRP CCC1(C)CC[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507178955 945009870 /nfs/dbraw/zinc/00/98/70/945009870.db2.gz GEFKKLOYOQOYKZ-IBGZPJMESA-N 2 0 371.569 3.668 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415004987 945018271 /nfs/dbraw/zinc/01/82/71/945018271.db2.gz OMSQXMPEMNNFBZ-YPIGPJMWSA-N 2 0 367.512 3.602 20 0 FHADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000516569757 945019882 /nfs/dbraw/zinc/01/98/82/945019882.db2.gz FZBFCVLPWMJNKP-MRXNPFEDSA-N 2 0 357.885 3.763 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000437085005 945021154 /nfs/dbraw/zinc/02/11/54/945021154.db2.gz YVZOACTUZCBABY-FOIQADDNSA-N 2 0 358.457 3.941 20 0 FHADRP CCOc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000426159701 945051491 /nfs/dbraw/zinc/05/14/91/945051491.db2.gz IGRKTUQTSARTIC-UHFFFAOYSA-N 2 0 357.473 3.968 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187931526 945057088 /nfs/dbraw/zinc/05/70/88/945057088.db2.gz IOMBQIONJVIKMY-IBGZPJMESA-N 2 0 364.555 3.713 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013612 945496575 /nfs/dbraw/zinc/49/65/75/945496575.db2.gz YOEKOVRYASSXRE-HIFRSBDPSA-N 2 0 365.930 3.983 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415050780 945502788 /nfs/dbraw/zinc/50/27/88/945502788.db2.gz YQVPEUCNSZKYCG-ZWNOBZJWSA-N 2 0 363.246 3.576 20 0 FHADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894861002 945515810 /nfs/dbraw/zinc/51/58/10/945515810.db2.gz MXHYTQANPUOFDJ-AWEZNQCLSA-N 2 0 353.532 3.917 20 0 FHADRP CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473879885 945574935 /nfs/dbraw/zinc/57/49/35/945574935.db2.gz URBJOUYRIGDGGV-TZIWHRDSSA-N 2 0 374.573 3.585 20 0 FHADRP c1cnc2c(c1)cccc2OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968547 945613094 /nfs/dbraw/zinc/61/30/94/945613094.db2.gz RGVVRHPMDDXENI-IHWFROFDSA-N 2 0 351.494 3.609 20 0 FHADRP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc(C[N@H+]2CCC[C@H]2C)cc1 ZINC000629701414 945662629 /nfs/dbraw/zinc/66/26/29/945662629.db2.gz BTACQJXESZLGQU-XLIONFOSSA-N 2 0 352.522 3.756 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000519529817 945674483 /nfs/dbraw/zinc/67/44/83/945674483.db2.gz VMBLZFDUENXSIM-LJQANCHMSA-N 2 0 374.916 3.874 20 0 FHADRP Cn1ncc2ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc3ccccc3)cc21 ZINC000519735719 945700991 /nfs/dbraw/zinc/70/09/91/945700991.db2.gz KQOVNYAKQDFEDQ-UHFFFAOYSA-N 2 0 350.510 3.821 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705291 945727869 /nfs/dbraw/zinc/72/78/69/945727869.db2.gz NZLXYJQEOFUAAL-PMACEKPBSA-N 2 0 366.553 3.673 20 0 FHADRP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000651715366 945750089 /nfs/dbraw/zinc/75/00/89/945750089.db2.gz KMDMCRURNYTCOO-UHFFFAOYSA-N 2 0 366.484 3.980 20 0 FHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)C2)CC1 ZINC000519782274 945758644 /nfs/dbraw/zinc/75/86/44/945758644.db2.gz BTMOFKCUNPNBRG-OAQYLSRUSA-N 2 0 365.521 3.824 20 0 FHADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827532 945789376 /nfs/dbraw/zinc/78/93/76/945789376.db2.gz ZDXBEADJCSNRPH-GLCCWIKHSA-N 2 0 368.496 3.514 20 0 FHADRP C[C@@H]1CC(N2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065965 945816010 /nfs/dbraw/zinc/81/60/10/945816010.db2.gz ZJERXXVHNZHNHH-CSJNCLCHSA-N 2 0 368.443 3.832 20 0 FHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662745458 945856837 /nfs/dbraw/zinc/85/68/37/945856837.db2.gz DYYZOPWRNKJHKJ-IBGZPJMESA-N 2 0 351.494 3.688 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415938370 945927656 /nfs/dbraw/zinc/92/76/56/945927656.db2.gz XVDNRVXTPASEHD-UHFFFAOYSA-N 2 0 360.546 3.772 20 0 FHADRP CC(C)C(=O)NC1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168050983 945972983 /nfs/dbraw/zinc/97/29/83/945972983.db2.gz DZHLVHFHPYXJHO-OALUTQOASA-N 2 0 371.569 3.665 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000188124471 945981826 /nfs/dbraw/zinc/98/18/26/945981826.db2.gz MGNFKMDSOLWORW-FUHWJXTLSA-N 2 0 352.544 3.569 20 0 FHADRP C[C@H](CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)OCc1ccccc1 ZINC000475056675 946016771 /nfs/dbraw/zinc/01/67/71/946016771.db2.gz LKISGFVMYJJRIA-NJDAHSKKSA-N 2 0 374.569 3.803 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000520044450 946070573 /nfs/dbraw/zinc/07/05/73/946070573.db2.gz SABPQMBMRHOASS-QWFCFKBJSA-N 2 0 351.579 3.514 20 0 FHADRP O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806828 946161849 /nfs/dbraw/zinc/16/18/49/946161849.db2.gz LUMWGSMELKXGQH-QFIPXVFZSA-N 2 0 369.553 3.594 20 0 FHADRP O=c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(Cl)cc2)CC3)[nH]1 ZINC001279145338 946164944 /nfs/dbraw/zinc/16/49/44/946164944.db2.gz ZTNKHRMYELJVSD-UHFFFAOYSA-N 2 0 371.912 3.929 20 0 FHADRP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248445678 946345539 /nfs/dbraw/zinc/34/55/39/946345539.db2.gz CFTSCLKORCXRNO-SJORKVTESA-N 2 0 367.331 3.607 20 0 FHADRP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000302861971 946355755 /nfs/dbraw/zinc/35/57/55/946355755.db2.gz VSPUNSZOOXVEMG-NRFANRHFSA-N 2 0 351.450 3.752 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccccc1Oc1cccnc1 ZINC000441271552 946383265 /nfs/dbraw/zinc/38/32/65/946383265.db2.gz RBXZGZCEXGTODY-UZKOGDIHSA-N 2 0 367.493 3.557 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970788 946395755 /nfs/dbraw/zinc/39/57/55/946395755.db2.gz BIGBHJXFFSQAMZ-KGLIPLIRSA-N 2 0 370.324 3.644 20 0 FHADRP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840778427 946402638 /nfs/dbraw/zinc/40/26/38/946402638.db2.gz BMNYRYMCWRWVHG-AEFFLSMTSA-N 2 0 358.486 3.507 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488939 946430723 /nfs/dbraw/zinc/43/07/23/946430723.db2.gz VTUOAZOIJYNXCT-TVFCKZIOSA-N 2 0 365.562 3.532 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652170030 946434309 /nfs/dbraw/zinc/43/43/09/946434309.db2.gz YVTCNZFKOHGWIE-BDTNDASRSA-N 2 0 357.542 3.670 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000047973529 946472321 /nfs/dbraw/zinc/47/23/21/946472321.db2.gz UFLDUOTZVQQFAH-LJQANCHMSA-N 2 0 359.558 3.534 20 0 FHADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000537940471 946549933 /nfs/dbraw/zinc/54/99/33/946549933.db2.gz KPSRVEXBVZIZHK-FQEVSTJZSA-N 2 0 373.585 3.915 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396834 946560159 /nfs/dbraw/zinc/56/01/59/946560159.db2.gz OTIKHZARLMNCMA-SJLPKXTDSA-N 2 0 372.475 3.711 20 0 FHADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000661775512 946619832 /nfs/dbraw/zinc/61/98/32/946619832.db2.gz TUMNRSUOEGVJDA-XZOQPEGZSA-N 2 0 366.553 3.907 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+][C@@H](CO)CCF)c2ccc(F)cc2)CC1 ZINC000652301931 946651437 /nfs/dbraw/zinc/65/14/37/946651437.db2.gz KPWWWSDPISZOAB-UXHICEINSA-N 2 0 354.485 3.689 20 0 FHADRP CC(C)([NH3+])CCC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663020234 946717773 /nfs/dbraw/zinc/71/77/73/946717773.db2.gz VVKAJFVIEKGEAY-NRFANRHFSA-N 2 0 371.569 3.653 20 0 FHADRP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000894983379 946816512 /nfs/dbraw/zinc/81/65/12/946816512.db2.gz BQMPXKBHJQWCKG-UHFFFAOYSA-N 2 0 369.431 3.580 20 0 FHADRP CCNC(=O)OC1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168060758 946825333 /nfs/dbraw/zinc/82/53/33/946825333.db2.gz YAFJFIUWXHWURN-QZTJIDSGSA-N 2 0 373.541 3.639 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824626490 946871971 /nfs/dbraw/zinc/87/19/71/946871971.db2.gz PDGVMPCXSKNOAP-MRXNPFEDSA-N 2 0 364.497 3.558 20 0 FHADRP C(O[C@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994013 946874761 /nfs/dbraw/zinc/87/47/61/946874761.db2.gz WLROAASWGDFJKK-RPZNRFFMSA-N 2 0 358.570 3.919 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348000 946879760 /nfs/dbraw/zinc/87/97/60/946879760.db2.gz RHSXPCRUXWNICY-VKZRIFJHSA-N 2 0 354.441 3.567 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)cc1F ZINC000652354141 946913098 /nfs/dbraw/zinc/91/30/98/946913098.db2.gz NWAOGOYLBVFREM-QAPCUYQASA-N 2 0 360.477 3.566 20 0 FHADRP OC1(c2ccc(F)cc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995329 946933527 /nfs/dbraw/zinc/93/35/27/946933527.db2.gz ATQIBFUYLGXIOT-WCRBZPEASA-N 2 0 358.501 3.515 20 0 FHADRP COc1cccc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995804 947030956 /nfs/dbraw/zinc/03/09/56/947030956.db2.gz QJNFMSVZXCLFSS-SRDOODBNSA-N 2 0 370.537 3.944 20 0 FHADRP CC1(C)CCC[N@H+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444610918 947035332 /nfs/dbraw/zinc/03/53/32/947035332.db2.gz PTXSLGNPUAXUDW-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000444610440 947036034 /nfs/dbraw/zinc/03/60/34/947036034.db2.gz PIABOXLKPHOIBL-HXUWFJFHSA-N 2 0 355.551 3.627 20 0 FHADRP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000192921812 947105221 /nfs/dbraw/zinc/10/52/21/947105221.db2.gz DIQCLRYOJGZPKV-NRFANRHFSA-N 2 0 360.505 3.792 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825416706 947183760 /nfs/dbraw/zinc/18/37/60/947183760.db2.gz LLLFLALPGARHRW-INIZCTEOSA-N 2 0 364.497 3.559 20 0 FHADRP FC(F)(F)COCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245681707 947219844 /nfs/dbraw/zinc/21/98/44/947219844.db2.gz IZZDZPMMVCZFJQ-NNZMDNLPSA-N 2 0 356.432 3.741 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246064041 947232884 /nfs/dbraw/zinc/23/28/84/947232884.db2.gz RREFIKSXOYKSEK-ZMMAXQRCSA-N 2 0 363.521 3.574 20 0 FHADRP COCC[NH+]1CCC(Nc2cc(C)[nH+]c3ccc(OC(F)F)cc23)CC1 ZINC000301345669 947298457 /nfs/dbraw/zinc/29/84/57/947298457.db2.gz IJSRHLIXDPHPDB-UHFFFAOYSA-N 2 0 365.424 3.667 20 0 FHADRP Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301374045 947313270 /nfs/dbraw/zinc/31/32/70/947313270.db2.gz VJDUNLGDIXDKMT-UHFFFAOYSA-N 2 0 370.403 3.866 20 0 FHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251643 947674454 /nfs/dbraw/zinc/67/44/54/947674454.db2.gz HBEKNYPFGFYTSC-GUYCJALGSA-N 2 0 354.416 3.752 20 0 FHADRP C[NH+](CC1=CCSC1)Cc1ccc(C[N@H+](C)CC2=CCSC2)cc1 ZINC000662268417 947690561 /nfs/dbraw/zinc/69/05/61/947690561.db2.gz YLFYUHPDKPRPRG-UHFFFAOYSA-N 2 0 360.592 3.897 20 0 FHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2F)(N2CCCCC2)CC1 ZINC000189364512 947702618 /nfs/dbraw/zinc/70/26/18/947702618.db2.gz OPULIRUTVGVBTI-UHFFFAOYSA-N 2 0 353.913 3.519 20 0 FHADRP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294038 947716523 /nfs/dbraw/zinc/71/65/23/947716523.db2.gz AJCJBEUWPUEXCU-INIZCTEOSA-N 2 0 360.889 3.602 20 0 FHADRP Clc1ccc(-c2noc(CC[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662293822 947716680 /nfs/dbraw/zinc/71/66/80/947716680.db2.gz TXZRQZZOXNAXPW-KRWDZBQOSA-N 2 0 374.916 3.644 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297823 947719014 /nfs/dbraw/zinc/71/90/14/947719014.db2.gz SIDPVTWAWVAJTD-DOTOQJQBSA-N 2 0 363.933 3.687 20 0 FHADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CCC[NH3+] ZINC000662314274 947743751 /nfs/dbraw/zinc/74/37/51/947743751.db2.gz OXEXSYJQKISNCW-RHSMWYFYSA-N 2 0 362.905 3.772 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)[C@@H]1CCC[NH3+] ZINC000662316050 947744339 /nfs/dbraw/zinc/74/43/39/947744339.db2.gz JMBQCYQUGVFLDR-IUODEOHRSA-N 2 0 366.868 3.869 20 0 FHADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322005 947749282 /nfs/dbraw/zinc/74/92/82/947749282.db2.gz SRXSNXVACQAJOK-GOSISDBHSA-N 2 0 358.448 3.681 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662390223 947769682 /nfs/dbraw/zinc/76/96/82/947769682.db2.gz YSGHJVKVAYPOEQ-QGZVFWFLSA-N 2 0 363.505 3.594 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344124 947807187 /nfs/dbraw/zinc/80/71/87/947807187.db2.gz OMPOBLVEGVBEJG-SFHVURJKSA-N 2 0 356.489 3.531 20 0 FHADRP CC(C)C[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)[NH2+][C@H](C)c1ccccc1 ZINC000662454107 947824274 /nfs/dbraw/zinc/82/42/74/947824274.db2.gz IYISPTPLAHTPBO-YLJYHZDGSA-N 2 0 365.521 3.785 20 0 FHADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663445420 948025029 /nfs/dbraw/zinc/02/50/29/948025029.db2.gz ONHHKGSHHSXOGW-OAHLLOKOSA-N 2 0 373.360 3.544 20 0 FHADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469283 948062171 /nfs/dbraw/zinc/06/21/71/948062171.db2.gz PMCAOHIRVSFWFP-RDJZCZTQSA-N 2 0 363.933 3.769 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001167824250 948105386 /nfs/dbraw/zinc/10/53/86/948105386.db2.gz GKDCVOFVVWGKDM-FHWLQOOXSA-N 2 0 364.603 3.550 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000643467451 948106742 /nfs/dbraw/zinc/10/67/42/948106742.db2.gz HVXJZFVYXKMLDN-HMXCVIKNSA-N 2 0 372.896 3.873 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001167825065 948117734 /nfs/dbraw/zinc/11/77/34/948117734.db2.gz JSCSMGSQJYSEOL-GOSISDBHSA-N 2 0 350.551 3.524 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825588 948125587 /nfs/dbraw/zinc/12/55/87/948125587.db2.gz RPXCNEDBQBAGSI-PMVMPFDFSA-N 3 0 357.586 3.869 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825729 948126716 /nfs/dbraw/zinc/12/67/16/948126716.db2.gz SRIZNBIDYLSIIK-RTBURBONSA-N 3 0 353.595 3.509 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001167826243 948128796 /nfs/dbraw/zinc/12/87/96/948128796.db2.gz NHYCMAMGEMQMHI-KRWDZBQOSA-N 2 0 372.513 3.517 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+]2C[C@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826739 948135573 /nfs/dbraw/zinc/13/55/73/948135573.db2.gz QXEQXGBMKHCLQP-QZNHQXDQSA-N 2 0 373.585 3.643 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001167827529 948151512 /nfs/dbraw/zinc/15/15/12/948151512.db2.gz TYICLLNECZSNTG-SFHVURJKSA-N 2 0 362.562 3.526 20 0 FHADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000432349725 948189841 /nfs/dbraw/zinc/18/98/41/948189841.db2.gz AMBIPDCWKHWEFF-IBGZPJMESA-N 2 0 369.509 3.773 20 0 FHADRP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534752 948191924 /nfs/dbraw/zinc/19/19/24/948191924.db2.gz BTVKJMROCIRGJD-GJZGRUSLSA-N 2 0 355.707 3.822 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001167839495 948315816 /nfs/dbraw/zinc/31/58/16/948315816.db2.gz YKSNCTDMBIENKS-AKHDSKFASA-N 2 0 367.578 3.732 20 0 FHADRP O=C(CC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1F ZINC000585811012 948354058 /nfs/dbraw/zinc/35/40/58/948354058.db2.gz UITZFEQBTDMQKJ-UHFFFAOYSA-N 2 0 355.457 3.540 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001167841864 948366855 /nfs/dbraw/zinc/36/68/55/948366855.db2.gz SPXAFVIJXIFTLL-WWNPGLIZSA-N 3 0 357.586 3.951 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001167842867 948395798 /nfs/dbraw/zinc/39/57/98/948395798.db2.gz ZJFFWYOJNXJHKA-QGZVFWFLSA-N 2 0 365.949 3.608 20 0 FHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000390929391 948454009 /nfs/dbraw/zinc/45/40/09/948454009.db2.gz ZLROHYIGXTZRIL-MOPGFXCFSA-N 2 0 369.475 3.515 20 0 FHADRP COc1c(F)cccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001143529436 948543162 /nfs/dbraw/zinc/54/31/62/948543162.db2.gz ZLQJQAKBJBCPSA-UHFFFAOYSA-N 2 0 369.484 3.717 20 0 FHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC000520698508 948604976 /nfs/dbraw/zinc/60/49/76/948604976.db2.gz SISSAXGIKNZFRE-UHFFFAOYSA-N 2 0 373.585 3.834 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2csc(-c3ccsc3)n2)C[C@@H](C)O1 ZINC000067452531 948764131 /nfs/dbraw/zinc/76/41/31/948764131.db2.gz RFXJNRPFCNVLNB-HUUCEWRRSA-N 2 0 365.568 3.851 20 0 FHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000067453141 948795305 /nfs/dbraw/zinc/79/53/05/948795305.db2.gz VRIPEOWWORJUEM-KBPBESRZSA-N 2 0 373.310 3.567 20 0 FHADRP CCC(CC)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104497 567964133 /nfs/dbraw/zinc/96/41/33/567964133.db2.gz XCRUKAUTFWWNRA-OALUTQOASA-N 2 0 360.542 3.978 20 0 FHADRP CCC(CC)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104499 567964221 /nfs/dbraw/zinc/96/42/21/567964221.db2.gz XCRUKAUTFWWNRA-RBUKOAKNSA-N 2 0 360.542 3.978 20 0 FHADRP CCCOc1c(Cl)cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000563135506 568267857 /nfs/dbraw/zinc/26/78/57/568267857.db2.gz LVVVSNBINSANDF-CVEARBPZSA-N 2 0 352.906 3.569 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135877 568274499 /nfs/dbraw/zinc/27/44/99/568274499.db2.gz VLNCUCRQCLVIJF-IRXDYDNUSA-N 2 0 357.523 3.640 20 0 FHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000604414888 568279660 /nfs/dbraw/zinc/27/96/60/568279660.db2.gz KVENENGGSSCFLG-UHFFFAOYSA-N 2 0 359.489 3.510 20 0 FHADRP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1C ZINC001164909883 721729324 /nfs/dbraw/zinc/72/93/24/721729324.db2.gz FKFWBLGZGDISGJ-FQEVSTJZSA-N 2 0 372.463 3.831 20 0 FHADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ncccc2C[NH+]2CCCC2)c1 ZINC001164936879 721914636 /nfs/dbraw/zinc/91/46/36/721914636.db2.gz AKMPHGCGFBGVGD-KDURUIRLSA-N 2 0 368.550 3.592 20 0 FHADRP CCN1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091414095 936326089 /nfs/dbraw/zinc/32/60/89/936326089.db2.gz JEPJXXLFCKZRKI-GKCIPKSASA-N 2 0 367.940 3.934 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)cc1OC ZINC000583033433 936385068 /nfs/dbraw/zinc/38/50/68/936385068.db2.gz CXHPKKCAUUDKRW-AABGKKOBSA-N 2 0 354.494 3.847 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131513 937153342 /nfs/dbraw/zinc/15/33/42/937153342.db2.gz PVQOVNJIXDWLOG-MJGOQNOKSA-N 2 0 357.523 3.528 20 0 FHADRP Brc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643545632 927411459 /nfs/dbraw/zinc/41/14/59/927411459.db2.gz UDFANAVEMUHJEP-ZWKOTPCHSA-N 2 0 365.315 3.569 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2ccnc2)cc1 ZINC000162574939 937183153 /nfs/dbraw/zinc/18/31/53/937183153.db2.gz KJEXRTGTWDMPSL-SFHVURJKSA-N 2 0 364.493 3.664 20 0 FHADRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccccc3)CC2)cc1 ZINC000066244106 928190225 /nfs/dbraw/zinc/19/02/25/928190225.db2.gz CLBKXUQRPIBRKM-UHFFFAOYSA-N 2 0 352.482 3.544 20 0 FHADRP CCC(C)(C)[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000655272367 928621452 /nfs/dbraw/zinc/62/14/52/928621452.db2.gz VTNZTTFPHFYNEO-UHFFFAOYSA-N 2 0 371.569 3.622 20 0 FHADRP c1cc(-c2n[nH]cc2C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000547708454 928752513 /nfs/dbraw/zinc/75/25/13/928752513.db2.gz ITJFXDCIDZFMPR-UHFFFAOYSA-N 2 0 353.495 3.539 20 0 FHADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000538408366 928791792 /nfs/dbraw/zinc/79/17/92/928791792.db2.gz YRVYZJAWFGUQDE-INIZCTEOSA-N 2 0 351.288 3.514 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000547737101 929124910 /nfs/dbraw/zinc/12/49/10/929124910.db2.gz BEWQLLRUHZGQSS-UHFFFAOYSA-N 2 0 351.579 3.612 20 0 FHADRP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209159475 929387402 /nfs/dbraw/zinc/38/74/02/929387402.db2.gz UICJOEWHNSBFLQ-NHCUHLMSSA-N 2 0 358.526 3.562 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000180312836 929458353 /nfs/dbraw/zinc/45/83/53/929458353.db2.gz CZARLMXHHUYSHE-OTWHNJEPSA-N 2 0 369.553 3.813 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180467151 929518242 /nfs/dbraw/zinc/51/82/42/929518242.db2.gz KVIILIUNCGFHTF-UHFFFAOYSA-N 2 0 373.491 3.671 20 0 FHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000180497301 929531269 /nfs/dbraw/zinc/53/12/69/929531269.db2.gz HZFOBCXBHLBCSD-DYESRHJHSA-N 2 0 357.929 3.655 20 0 FHADRP COc1ccccc1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683689680 929802710 /nfs/dbraw/zinc/80/27/10/929802710.db2.gz HSRCIIMRUOAUIN-WKCHPHFGSA-N 2 0 366.505 3.859 20 0 FHADRP O[C@@H](CCc1ccccc1)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691396 929807772 /nfs/dbraw/zinc/80/77/72/929807772.db2.gz CCGXLKLCEAIWMP-XQUALCHDSA-N 2 0 364.533 3.765 20 0 FHADRP CCCC[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000580014283 929863018 /nfs/dbraw/zinc/86/30/18/929863018.db2.gz FZGJNRIHBJKMNY-LJQANCHMSA-N 2 0 359.558 3.586 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000275681990 929904890 /nfs/dbraw/zinc/90/48/90/929904890.db2.gz UOJQTUCPOUEFPT-UHFFFAOYSA-N 2 0 351.494 3.639 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000275714373 929957541 /nfs/dbraw/zinc/95/75/41/929957541.db2.gz VAAKSTDLQPJHFM-UHFFFAOYSA-N 2 0 372.557 3.567 20 0 FHADRP Cc1ccccc1[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001167337291 929988862 /nfs/dbraw/zinc/98/88/62/929988862.db2.gz MFGAPEOFLDGBMM-NRFANRHFSA-N 2 0 351.538 3.806 20 0 FHADRP C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000647288301 937379453 /nfs/dbraw/zinc/37/94/53/937379453.db2.gz ZVCZYURFDALELO-CQSZACIVSA-N 2 0 355.448 3.806 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000583375509 937392168 /nfs/dbraw/zinc/39/21/68/937392168.db2.gz QVZSBHHEKDRYPX-OWCLPIDISA-N 2 0 354.441 3.697 20 0 FHADRP COC1CC[NH+](CCNc2cc(C)[nH+]c3ccc(OC(F)F)cc23)CC1 ZINC000080250125 937398887 /nfs/dbraw/zinc/39/88/87/937398887.db2.gz QJLWITUNOCRCSQ-UHFFFAOYSA-N 2 0 365.424 3.667 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc12 ZINC000150961767 937405125 /nfs/dbraw/zinc/40/51/25/937405125.db2.gz JJSQNVYXLQOMNW-KRWDZBQOSA-N 2 0 355.526 3.525 20 0 FHADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000683834636 930357608 /nfs/dbraw/zinc/35/76/08/930357608.db2.gz OSPCRPAIPWOIHO-OAQYLSRUSA-N 2 0 371.569 3.527 20 0 FHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000656153393 930370354 /nfs/dbraw/zinc/37/03/54/930370354.db2.gz QODBNDMJQGWJPQ-IZAXUBKRSA-N 2 0 367.493 3.737 20 0 FHADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000580311250 930472435 /nfs/dbraw/zinc/47/24/35/930472435.db2.gz CMLWIZQHPMMLMU-KRWDZBQOSA-N 2 0 357.523 3.640 20 0 FHADRP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C1CC[NH+](C)CC1 ZINC000089552019 930584802 /nfs/dbraw/zinc/58/48/02/930584802.db2.gz BSVWGIHEKSYZMM-MRXNPFEDSA-N 2 0 350.934 3.708 20 0 FHADRP C[NH+](C)CCOc1ccc(CNCc2cc(F)c(Cl)cc2F)cc1 ZINC000683933657 930659798 /nfs/dbraw/zinc/65/97/98/930659798.db2.gz SNXFJDPLFVTQKM-UHFFFAOYSA-N 2 0 354.828 3.848 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939712 930690280 /nfs/dbraw/zinc/69/02/80/930690280.db2.gz HZIYDXNZFSCZTB-HDEZJCGLSA-N 2 0 367.990 3.652 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000471596898 930881349 /nfs/dbraw/zinc/88/13/49/930881349.db2.gz YQCGTFYJTKIKRO-QFBILLFUSA-N 2 0 357.567 3.894 20 0 FHADRP COc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)[NH+]2CCCCC2)cc1 ZINC000580768067 931129459 /nfs/dbraw/zinc/12/94/59/931129459.db2.gz LKRRPLCWTILADQ-ZLNRFVROSA-N 2 0 365.521 3.957 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000580836771 931249548 /nfs/dbraw/zinc/24/95/48/931249548.db2.gz KETKJVATPBMOKQ-MSOLQXFVSA-N 2 0 357.542 3.823 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000684112991 931355207 /nfs/dbraw/zinc/35/52/07/931355207.db2.gz LJARGFUKOOOTOK-YPAWHYETSA-N 2 0 366.553 3.948 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCCc2ccncc2)cc1 ZINC000656403637 931592208 /nfs/dbraw/zinc/59/22/08/931592208.db2.gz BUAXKVMBZUCQNZ-KIHHCIJBSA-N 2 0 361.533 3.857 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCC3CCOCC3)C2)cc1 ZINC000656405111 931593184 /nfs/dbraw/zinc/59/31/84/931593184.db2.gz HVLYXXDRNISQBD-MLCQCVOFSA-N 2 0 354.538 3.646 20 0 FHADRP CC[NH2+]CC1CC[NH+](CC(=O)N(CC)c2cccc3ccccc32)CC1 ZINC000430568121 931900550 /nfs/dbraw/zinc/90/05/50/931900550.db2.gz HGNGROAEGLSXOG-UHFFFAOYSA-N 2 0 353.510 3.514 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510417483 931994649 /nfs/dbraw/zinc/99/46/49/931994649.db2.gz VPLCKSUBPSKUIW-QRVBRYPASA-N 2 0 368.521 3.722 20 0 FHADRP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000317563842 932123689 /nfs/dbraw/zinc/12/36/89/932123689.db2.gz VNUYYKICLNHEIL-HUUCEWRRSA-N 2 0 360.299 3.714 20 0 FHADRP COC(=O)c1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000380363089 932183252 /nfs/dbraw/zinc/18/32/52/932183252.db2.gz JBMODINNJRWVQD-LJQANCHMSA-N 2 0 370.468 3.614 20 0 FHADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542507 932230528 /nfs/dbraw/zinc/23/05/28/932230528.db2.gz CWGRTDSHPWQICR-JWNTYJGQSA-N 2 0 374.488 3.779 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542505 932230844 /nfs/dbraw/zinc/23/08/44/932230844.db2.gz CWGRTDSHPWQICR-AMHTUMDSSA-N 2 0 374.488 3.779 20 0 FHADRP [NH3+]CCCOC1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000564452607 932250149 /nfs/dbraw/zinc/25/01/49/932250149.db2.gz HMQCICBDYDPQCP-UHFFFAOYSA-N 2 0 366.549 3.918 20 0 FHADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430611136 932255169 /nfs/dbraw/zinc/25/51/69/932255169.db2.gz NIFWXALQLHGALK-SFHVURJKSA-N 2 0 367.493 3.739 20 0 FHADRP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000581577116 932265554 /nfs/dbraw/zinc/26/55/54/932265554.db2.gz NTSZETYZRWBJKX-GHTZIAJQSA-N 2 0 369.553 3.594 20 0 FHADRP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430617930 932309762 /nfs/dbraw/zinc/30/97/62/932309762.db2.gz QCXJEDOXBOIUCA-OAQYLSRUSA-N 2 0 351.494 3.654 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000656679128 932320934 /nfs/dbraw/zinc/32/09/34/932320934.db2.gz VXDDFXDSLZPETG-OAHLLOKOSA-N 2 0 366.933 3.890 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342840 932376254 /nfs/dbraw/zinc/37/62/54/932376254.db2.gz JHBAAIVAIDRCSB-GHTZIAJQSA-N 2 0 359.558 3.719 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784551 932419237 /nfs/dbraw/zinc/41/92/37/932419237.db2.gz DXCIPZBTOZUAPE-FQEVSTJZSA-N 2 0 352.526 3.701 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1OC(F)F ZINC000656785165 932421472 /nfs/dbraw/zinc/42/14/72/932421472.db2.gz JWSKWUGPWKHNSI-MRXNPFEDSA-N 2 0 354.441 3.508 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656787066 932426087 /nfs/dbraw/zinc/42/60/87/932426087.db2.gz ZTJHPXOWFDBQRN-JOCHJYFZSA-N 2 0 366.553 3.760 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000581704024 932524569 /nfs/dbraw/zinc/52/45/69/932524569.db2.gz AKHRUABDWABOLD-FQEVSTJZSA-N 2 0 363.465 3.573 20 0 FHADRP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117610 933011056 /nfs/dbraw/zinc/01/10/56/933011056.db2.gz GLIOOYSTDOJXMS-FGTMMUONSA-N 2 0 353.551 3.629 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399141706 933125041 /nfs/dbraw/zinc/12/50/41/933125041.db2.gz VIDBXEOEMPMUKT-KSZLIROESA-N 2 0 355.567 3.875 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CCSCc1ccccc1 ZINC000430755566 933208536 /nfs/dbraw/zinc/20/85/36/933208536.db2.gz IULQCIMFRIICMI-QFIPXVFZSA-N 2 0 370.562 3.666 20 0 FHADRP Brc1ccccc1CC1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000581979719 933318286 /nfs/dbraw/zinc/31/82/86/933318286.db2.gz WZFCFTJPNPGPMH-UHFFFAOYSA-N 2 0 363.343 3.988 20 0 FHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000430914037 933400525 /nfs/dbraw/zinc/40/05/25/933400525.db2.gz HMDGBHRONICEJT-QHCPKHFHSA-N 2 0 373.560 3.941 20 0 FHADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OCc1cccs1 ZINC000430916912 933402797 /nfs/dbraw/zinc/40/27/97/933402797.db2.gz XBWZCYOZPJQYTP-UHFFFAOYSA-N 2 0 372.534 3.911 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000430949428 933476046 /nfs/dbraw/zinc/47/60/46/933476046.db2.gz NJLIQRUXRKFMOK-UHFFFAOYSA-N 2 0 359.901 3.745 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430964283 933508492 /nfs/dbraw/zinc/50/84/92/933508492.db2.gz YLQZNCHBXNEYEY-OXQOHEQNSA-N 2 0 362.477 3.885 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000430964874 933511853 /nfs/dbraw/zinc/51/18/53/933511853.db2.gz JGTGXJSQTJDXMM-HNNXBMFYSA-N 2 0 359.901 3.873 20 0 FHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000430968912 933527361 /nfs/dbraw/zinc/52/73/61/933527361.db2.gz XVTYABAMBKDNDO-INIZCTEOSA-N 2 0 366.896 3.973 20 0 FHADRP FC(F)(F)c1ccccc1OCCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025864 933683726 /nfs/dbraw/zinc/68/37/26/933683726.db2.gz CRTWVMVBQPFTKK-UHFFFAOYSA-N 2 0 356.432 3.940 20 0 FHADRP c1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000431039007 933726933 /nfs/dbraw/zinc/72/69/33/933726933.db2.gz GAUDVUYHVCUYCC-HXUWFJFHSA-N 2 0 374.488 3.902 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796541 933735166 /nfs/dbraw/zinc/73/51/66/933735166.db2.gz JIZINIFDLYLPLX-QZTJIDSGSA-N 2 0 357.542 3.521 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000431061984 933764150 /nfs/dbraw/zinc/76/41/50/933764150.db2.gz YVDXWXJLNWLXQV-GCJKJVERSA-N 2 0 365.521 3.990 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837401 933834153 /nfs/dbraw/zinc/83/41/53/933834153.db2.gz LCBDVLCPYICHAP-ROUUACIJSA-N 2 0 357.542 3.664 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000091707878 933877901 /nfs/dbraw/zinc/87/79/01/933877901.db2.gz SCBAWKBIJMTCNN-QFIPXVFZSA-N 2 0 360.542 3.798 20 0 FHADRP CN(CC[N@H+](C)CCCc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000535664451 933984586 /nfs/dbraw/zinc/98/45/86/933984586.db2.gz APIRLDSMJOPVHG-UHFFFAOYSA-N 2 0 353.554 3.730 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132344807 934041550 /nfs/dbraw/zinc/04/15/50/934041550.db2.gz ZXNMXHCRHLNYQP-RDTXWAMCSA-N 2 0 358.357 3.916 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132382142 934044133 /nfs/dbraw/zinc/04/41/33/934044133.db2.gz GDLGQEILQXNPRJ-WBVHZDCISA-N 2 0 366.619 3.672 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@@H](C)O1 ZINC000092587528 934098825 /nfs/dbraw/zinc/09/88/25/934098825.db2.gz XANZVZBQCWZZAZ-HZPDHXFCSA-N 2 0 363.571 3.732 20 0 FHADRP Cc1nccn1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000510984899 934254334 /nfs/dbraw/zinc/25/43/34/934254334.db2.gz YQYSWJWSGGGNAY-HNNXBMFYSA-N 2 0 352.251 3.760 20 0 FHADRP Oc1cccc2c(NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc[nH+]c12 ZINC000684590879 934324176 /nfs/dbraw/zinc/32/41/76/934324176.db2.gz RPIHKONUPVZRAP-SFHVURJKSA-N 2 0 363.461 3.643 20 0 FHADRP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(SC)cc1OC ZINC000535813226 934406109 /nfs/dbraw/zinc/40/61/09/934406109.db2.gz UKBDCOIULMBAGH-UHFFFAOYSA-N 2 0 366.571 3.978 20 0 FHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277087629 934487224 /nfs/dbraw/zinc/48/72/24/934487224.db2.gz GCAFTHCBJWNPMY-UYAOXDASSA-N 2 0 362.583 3.653 20 0 FHADRP COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2c1 ZINC000074721479 934566839 /nfs/dbraw/zinc/56/68/39/934566839.db2.gz RQGGXQXRLHALRE-QGZVFWFLSA-N 2 0 354.494 3.718 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236629954 934755398 /nfs/dbraw/zinc/75/53/98/934755398.db2.gz GEHTYCXVTJLYDL-IBGZPJMESA-N 2 0 371.569 3.561 20 0 FHADRP C[C@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236659950 934759470 /nfs/dbraw/zinc/75/94/70/934759470.db2.gz NZHDPHVROXVEMP-CEMLEFRQSA-N 2 0 371.569 3.602 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccccc1Cl ZINC000236821084 934791721 /nfs/dbraw/zinc/79/17/21/934791721.db2.gz SHPAKAAGMHKKGE-IBGZPJMESA-N 2 0 365.949 3.619 20 0 FHADRP Clc1ccc(Br)c(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090579537 934880811 /nfs/dbraw/zinc/88/08/11/934880811.db2.gz OQVMOFKPRXIFLO-HUUCEWRRSA-N 2 0 357.723 3.861 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014777 934891614 /nfs/dbraw/zinc/89/16/14/934891614.db2.gz XSDNKAMALUJUOV-WOJBJXKFSA-N 2 0 371.569 3.655 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)c1ccccc1Cl ZINC000236887433 934990821 /nfs/dbraw/zinc/99/08/21/934990821.db2.gz JXHUVBUPWWZXFQ-LJQANCHMSA-N 2 0 359.901 3.612 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657298003 935003603 /nfs/dbraw/zinc/00/36/03/935003603.db2.gz RUVVPSAGTNUBFM-UHFFFAOYSA-N 2 0 354.420 3.571 20 0 FHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000707903902 935015523 /nfs/dbraw/zinc/01/55/23/935015523.db2.gz CTMOQSBLWZORGS-CALCHBBNSA-N 2 0 353.551 3.532 20 0 FHADRP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000892128853 935073806 /nfs/dbraw/zinc/07/38/06/935073806.db2.gz GMGKWLOHIUUABV-FQEVSTJZSA-N 2 0 372.557 3.517 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)C1 ZINC000657311141 935088783 /nfs/dbraw/zinc/08/87/83/935088783.db2.gz UFXXTBZNBMUBNG-SFHVURJKSA-N 2 0 352.526 3.815 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657312499 935130615 /nfs/dbraw/zinc/13/06/15/935130615.db2.gz KBETUFGQEYKUIS-KBPBESRZSA-N 2 0 372.326 3.831 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3cc4n(n3)CCC4)cc2)C1 ZINC000657313516 935141408 /nfs/dbraw/zinc/14/14/08/935141408.db2.gz IUYMAHNLDNVQJQ-QZTJIDSGSA-N 2 0 352.526 3.597 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657315340 935154370 /nfs/dbraw/zinc/15/43/70/935154370.db2.gz QTKIVFBCCBOOGG-QHCPKHFHSA-N 2 0 368.521 3.986 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000472147858 935200945 /nfs/dbraw/zinc/20/09/45/935200945.db2.gz RULFOANDGRBUEF-FQEVSTJZSA-N 2 0 373.585 3.761 20 0 FHADRP C[N@H+](Cc1ccccc1C[NH2+]Cc1cnc2n1CCC2)C1CCCCC1 ZINC000657324478 935215502 /nfs/dbraw/zinc/21/55/02/935215502.db2.gz SSJODSGDFWMQAB-UHFFFAOYSA-N 2 0 352.526 3.884 20 0 FHADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000157904988 935219577 /nfs/dbraw/zinc/21/95/77/935219577.db2.gz NMSSVBCNCMZNSC-CVEARBPZSA-N 2 0 366.937 3.554 20 0 FHADRP COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000277463355 935221142 /nfs/dbraw/zinc/22/11/42/935221142.db2.gz LMDVRQIYVVPRLO-HXUWFJFHSA-N 2 0 369.509 3.585 20 0 FHADRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3cc4ccncc4s3)c2)CCO1 ZINC000657328628 935230691 /nfs/dbraw/zinc/23/06/91/935230691.db2.gz BYVQPHHYEFKYES-MRXNPFEDSA-N 2 0 367.518 3.807 20 0 FHADRP CC(C)[C@H]1C[NH+](CCCCC[N@@H+]2CCCO[C@@H](C(C)C)C2)CCCO1 ZINC000559496718 935245828 /nfs/dbraw/zinc/24/58/28/935245828.db2.gz AVQLFAGPMAKZIW-NHCUHLMSSA-N 2 0 354.579 3.651 20 0 FHADRP Cn1ncc(C2CCC2)c1CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657335647 935259803 /nfs/dbraw/zinc/25/98/03/935259803.db2.gz RBTMTXOTTRMORA-LJQANCHMSA-N 2 0 352.526 3.689 20 0 FHADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccnn3CC3CC3)c2)CC1 ZINC000657349330 935314015 /nfs/dbraw/zinc/31/40/15/935314015.db2.gz QHDRZLJQOHJWIR-UHFFFAOYSA-N 2 0 352.526 3.815 20 0 FHADRP c1c2ccncc2sc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657351328 935315640 /nfs/dbraw/zinc/31/56/40/935315640.db2.gz CKLPVHDIYHRGGN-SFHVURJKSA-N 2 0 351.519 3.951 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582140534 935324810 /nfs/dbraw/zinc/32/48/10/935324810.db2.gz UWKPPBARSXMUJZ-SCTDSRPQSA-N 2 0 353.514 3.571 20 0 FHADRP CCCn1nccc1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000657354010 935327487 /nfs/dbraw/zinc/32/74/87/935327487.db2.gz MXPJAHPZGBFPRH-UHFFFAOYSA-N 2 0 360.933 3.948 20 0 FHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000657359921 935342404 /nfs/dbraw/zinc/34/24/04/935342404.db2.gz RPYNJAJYMADPHZ-LJQANCHMSA-N 2 0 355.551 3.673 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000582181849 935382582 /nfs/dbraw/zinc/38/25/82/935382582.db2.gz VRSKDZDIAGIAAK-GKBFQHABSA-N 2 0 363.505 3.740 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582241265 935448686 /nfs/dbraw/zinc/44/86/86/935448686.db2.gz JWWNPWGOWPKTTH-UHFFFAOYSA-N 2 0 368.912 3.950 20 0 FHADRP CCC[N@H+](C)C[C@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167559164 935466536 /nfs/dbraw/zinc/46/65/36/935466536.db2.gz YLYSWIDFFQIXFS-XMMPIXPASA-N 2 0 371.613 3.995 20 0 FHADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719410 935480328 /nfs/dbraw/zinc/48/03/28/935480328.db2.gz AARNVTJOZLTWOB-TZIWHRDSSA-N 2 0 371.569 3.668 20 0 FHADRP CC(C)n1nccc1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001279575549 935613072 /nfs/dbraw/zinc/61/30/72/935613072.db2.gz MFSNLQUAPVABGQ-UHFFFAOYSA-N 2 0 358.452 3.704 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000511111862 935621599 /nfs/dbraw/zinc/62/15/99/935621599.db2.gz YYVFUJWBPSGNBK-UHFFFAOYSA-N 2 0 367.537 3.910 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657414894 935630326 /nfs/dbraw/zinc/63/03/26/935630326.db2.gz FWIDCIAHAZYKBW-RXVVDRJESA-N 2 0 352.526 3.683 20 0 FHADRP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000519108707 945114358 /nfs/dbraw/zinc/11/43/58/945114358.db2.gz VPNSWUVOQPZFEX-OAQYLSRUSA-N 2 0 357.542 3.774 20 0 FHADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000657428786 935703536 /nfs/dbraw/zinc/70/35/36/935703536.db2.gz BCUIHHISVKWRFP-JOCHJYFZSA-N 2 0 368.521 3.640 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccncc2s1 ZINC000657430988 935714992 /nfs/dbraw/zinc/71/49/92/935714992.db2.gz XDVZSZOIXMEUCR-IBGZPJMESA-N 2 0 367.518 3.543 20 0 FHADRP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(CC2CC2)n1 ZINC000657433252 935723367 /nfs/dbraw/zinc/72/33/67/935723367.db2.gz YWTTYFOCGOTFCO-MDNUFGMLSA-N 2 0 364.537 3.683 20 0 FHADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccccc3C[NH+](C)C)c2C1 ZINC000582462018 935737479 /nfs/dbraw/zinc/73/74/79/935737479.db2.gz SVBLCZRAOCLGBR-UHFFFAOYSA-N 2 0 351.494 3.972 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000511145243 935786043 /nfs/dbraw/zinc/78/60/43/935786043.db2.gz LVXDZHZCGCQPAF-UHFFFAOYSA-N 2 0 352.457 3.578 20 0 FHADRP CCOc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000657497175 935874983 /nfs/dbraw/zinc/87/49/83/935874983.db2.gz UYWMTUJTJIDKCX-UHFFFAOYSA-N 2 0 368.521 3.510 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000684954380 935899656 /nfs/dbraw/zinc/89/96/56/935899656.db2.gz ZXQGPTNLEOKZBZ-FQEVSTJZSA-N 2 0 353.510 3.969 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)C[C@@H](C)O1 ZINC000582646450 935905321 /nfs/dbraw/zinc/90/53/21/935905321.db2.gz GUHKQDGZXBSNSA-IAGOWNOFSA-N 2 0 365.477 3.727 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1)C1CC1 ZINC000511182470 935959768 /nfs/dbraw/zinc/95/97/68/935959768.db2.gz DGKPGOZAOYHHFS-UHFFFAOYSA-N 2 0 351.494 3.985 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000657535475 935971705 /nfs/dbraw/zinc/97/17/05/935971705.db2.gz NHMQMWKVKBBGGQ-SFHVURJKSA-N 2 0 352.526 3.505 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000075007657 936003078 /nfs/dbraw/zinc/00/30/78/936003078.db2.gz INPZDSIHSXDCBK-UHFFFAOYSA-N 2 0 369.347 3.772 20 0 FHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000077372451 936046052 /nfs/dbraw/zinc/04/60/52/936046052.db2.gz NVDUTMGUHPEQCF-LJQANCHMSA-N 2 0 371.569 3.839 20 0 FHADRP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596101 936076556 /nfs/dbraw/zinc/07/65/56/936076556.db2.gz UTHICUBYIPZIIM-QFIPXVFZSA-N 2 0 352.522 3.841 20 0 FHADRP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657596602 936080341 /nfs/dbraw/zinc/08/03/41/936080341.db2.gz OTZCVAMXCQKFAJ-GOSISDBHSA-N 2 0 358.551 3.902 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C4CCC4)cc3)cc2)C1 ZINC000657597654 936080957 /nfs/dbraw/zinc/08/09/57/936080957.db2.gz WDDIFHNAPIKBAJ-HSZRJFAPSA-N 2 0 350.506 3.811 20 0 FHADRP Cc1ccc([C@@H](C)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000628153548 936094995 /nfs/dbraw/zinc/09/49/95/936094995.db2.gz UTPCLSWOVBDJGT-IBGZPJMESA-N 2 0 373.585 3.515 20 0 FHADRP Brc1ccc(CC2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660775 936182116 /nfs/dbraw/zinc/18/21/16/936182116.db2.gz RBWHIUAZIGRKJY-ZWKOTPCHSA-N 2 0 363.343 3.988 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000078639985 936228986 /nfs/dbraw/zinc/22/89/86/936228986.db2.gz KTDMHLVSQAVZLT-LMVRJCEZSA-N 2 0 371.569 3.570 20 0 FHADRP CC1(C)CC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000161575220 936275448 /nfs/dbraw/zinc/27/54/48/936275448.db2.gz IRIYJTCGHPNGTH-UHFFFAOYSA-N 2 0 371.569 3.714 20 0 FHADRP CN(c1ccccc1CNc1ccc2c(c1)C[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000121307403 936309079 /nfs/dbraw/zinc/30/90/79/936309079.db2.gz MAEYOPTVYJVGRH-UHFFFAOYSA-N 2 0 364.537 3.775 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414962121 945160628 /nfs/dbraw/zinc/16/06/28/945160628.db2.gz ZPHLLJRKHYIMTH-NVXWUHKLSA-N 2 0 352.507 3.831 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414962116 945161177 /nfs/dbraw/zinc/16/11/77/945161177.db2.gz ZPHLLJRKHYIMTH-DOTOQJQBSA-N 2 0 352.507 3.831 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc12 ZINC000650706099 938285335 /nfs/dbraw/zinc/28/53/35/938285335.db2.gz DFUMCUKKUWQJJJ-NPPFBWRTSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000163147738 938290104 /nfs/dbraw/zinc/29/01/04/938290104.db2.gz UUGAUCVFOGGFBN-GDBMZVCRSA-N 2 0 366.431 3.716 20 0 FHADRP [NH3+]CC1(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000650713477 938300103 /nfs/dbraw/zinc/30/01/03/938300103.db2.gz UCTGIYWAANUGMI-UHFFFAOYSA-N 2 0 364.468 3.897 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292057 938300796 /nfs/dbraw/zinc/30/07/96/938300796.db2.gz KQYQISUJFQVTAQ-PKOBYXMFSA-N 2 0 357.498 3.835 20 0 FHADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000650713322 938301953 /nfs/dbraw/zinc/30/19/53/938301953.db2.gz ORNWIMLQRSPLCN-CYBMUJFWSA-N 2 0 370.337 3.777 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000650719194 938306936 /nfs/dbraw/zinc/30/69/36/938306936.db2.gz HFACENIDAWNPSJ-UHFFFAOYSA-N 2 0 357.929 3.814 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000650719136 938306984 /nfs/dbraw/zinc/30/69/84/938306984.db2.gz FDENXDSZZHLVHD-OAHLLOKOSA-N 2 0 359.901 3.875 20 0 FHADRP FC(F)Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771329 938307023 /nfs/dbraw/zinc/30/70/23/938307023.db2.gz BIXHHGGTBMZUJR-IBGZPJMESA-N 2 0 374.479 3.540 20 0 FHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128527327 938310086 /nfs/dbraw/zinc/31/00/86/938310086.db2.gz QDRHYIALPPLPFC-QGZVFWFLSA-N 2 0 372.582 3.797 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(OC3CCCC3)c2)C1 ZINC000650721934 938310387 /nfs/dbraw/zinc/31/03/87/938310387.db2.gz GMMGIZRIRGRDKU-BVYCBKJFSA-N 2 0 358.526 3.869 20 0 FHADRP CN(C)c1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773062 938314682 /nfs/dbraw/zinc/31/46/82/938314682.db2.gz YSISYFWKFAXTEY-SFHVURJKSA-N 2 0 370.566 3.601 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000657774103 938318661 /nfs/dbraw/zinc/31/86/61/938318661.db2.gz XCOFSOUIGXHAGI-NHCUHLMSSA-N 2 0 354.538 3.980 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)c(C[NH+](C)C)c1 ZINC000583620370 938325669 /nfs/dbraw/zinc/32/56/69/938325669.db2.gz GSUZWCVMGHOVSL-LJQANCHMSA-N 2 0 362.477 3.940 20 0 FHADRP C[C@@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000246304815 938359067 /nfs/dbraw/zinc/35/90/67/938359067.db2.gz OGGQEDBCTLXINP-ZJOUEHCJSA-N 2 0 371.569 3.792 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000246489656 938368865 /nfs/dbraw/zinc/36/88/65/938368865.db2.gz PEIFINADZCPJLF-AQNXPRMDSA-N 2 0 371.569 3.703 20 0 FHADRP CCOC(=O)CC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562061921 938415895 /nfs/dbraw/zinc/41/58/95/938415895.db2.gz UVLDBAQTOAUFNM-SFTDATJTSA-N 2 0 372.553 3.810 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000650757999 938422012 /nfs/dbraw/zinc/42/20/12/938422012.db2.gz GOUJKAROYKJHQF-INIZCTEOSA-N 2 0 354.498 3.787 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H]2CCC[C@@H]21 ZINC000583887956 938467901 /nfs/dbraw/zinc/46/79/01/938467901.db2.gz LGGCIYBGQODDCQ-MDUILUSMSA-N 2 0 351.897 3.520 20 0 FHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583895282 938471181 /nfs/dbraw/zinc/47/11/81/938471181.db2.gz FWSJVXXQVLGOQI-FXAWDEMLSA-N 2 0 354.469 3.933 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538275 945179659 /nfs/dbraw/zinc/17/96/59/945179659.db2.gz NSGKJOWLLBLZDS-KZNAEPCWSA-N 2 0 358.448 3.632 20 0 FHADRP CC[C@H](CC(F)F)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538315 945179842 /nfs/dbraw/zinc/17/98/42/945179842.db2.gz ONQHWDZIOAATIQ-UYAOXDASSA-N 2 0 365.512 3.560 20 0 FHADRP CC[C@H](CC(F)F)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538314 945180208 /nfs/dbraw/zinc/18/02/08/945180208.db2.gz ONQHWDZIOAATIQ-QUCCMNQESA-N 2 0 365.512 3.560 20 0 FHADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OCc1ccccc1 ZINC000414963882 945181178 /nfs/dbraw/zinc/18/11/78/945181178.db2.gz DHWDBFJRWPTUDT-HXUWFJFHSA-N 2 0 354.494 3.896 20 0 FHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000278552732 938525953 /nfs/dbraw/zinc/52/59/53/938525953.db2.gz VXNJCCZVZMXFRH-CYBMUJFWSA-N 2 0 354.441 3.822 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(Br)ncc1F ZINC000278566990 938538250 /nfs/dbraw/zinc/53/82/50/938538250.db2.gz XBZQQQDFEXWCPR-LLVKDONJSA-N 2 0 356.283 3.508 20 0 FHADRP CCn1ccnc1CN(Cc1ccc(C2CC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584113192 938605724 /nfs/dbraw/zinc/60/57/24/938605724.db2.gz FOLFHYPFUZZWRB-OAQYLSRUSA-N 2 0 364.537 3.925 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000657832148 938624524 /nfs/dbraw/zinc/62/45/24/938624524.db2.gz ITNBTZGDBJUVEY-UXHICEINSA-N 2 0 351.966 3.523 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000657834760 938632284 /nfs/dbraw/zinc/63/22/84/938632284.db2.gz BJGKGHFQXSUTSF-AUSIDOKSSA-N 2 0 374.569 3.840 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657836638 938646428 /nfs/dbraw/zinc/64/64/28/938646428.db2.gz VBAGQYFUMQHOBQ-CTNGQTDRSA-N 2 0 363.977 3.983 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000506747788 945195041 /nfs/dbraw/zinc/19/50/41/945195041.db2.gz OZROPZCAIDVLLK-KRWDZBQOSA-N 2 0 355.448 3.603 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000657838608 938676366 /nfs/dbraw/zinc/67/63/66/938676366.db2.gz WQALRCPGQMTVIO-AUSIDOKSSA-N 2 0 374.569 3.982 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657837927 938680101 /nfs/dbraw/zinc/68/01/01/938680101.db2.gz XOQPWLKKBQJSQY-APWZRJJASA-N 2 0 371.491 3.642 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657839973 938703094 /nfs/dbraw/zinc/70/30/94/938703094.db2.gz JSKRGWNNDHOXRH-UEXGIBASSA-N 2 0 352.526 3.986 20 0 FHADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OCC(F)(F)F ZINC000414964654 945197524 /nfs/dbraw/zinc/19/75/24/945197524.db2.gz DZCGGHPKRIMURF-INIZCTEOSA-N 2 0 360.420 3.504 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000657842966 938707913 /nfs/dbraw/zinc/70/79/13/938707913.db2.gz LRISAKMQPDAZNU-INIZCTEOSA-N 2 0 374.479 3.617 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C(F)F)nc1 ZINC000657842968 938707964 /nfs/dbraw/zinc/70/79/64/938707964.db2.gz LRISAKMQPDAZNU-MRXNPFEDSA-N 2 0 374.479 3.617 20 0 FHADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090708797 938881994 /nfs/dbraw/zinc/88/19/94/938881994.db2.gz JJJDXXCTNGHUTH-HKUYNNGSSA-N 2 0 370.566 3.612 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000507407059 945212387 /nfs/dbraw/zinc/21/23/87/945212387.db2.gz STQMMGISGOWZLM-KRWDZBQOSA-N 2 0 360.546 3.943 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000657860898 938885614 /nfs/dbraw/zinc/88/56/14/938885614.db2.gz COOQVMWWUQBZQW-QHCPKHFHSA-N 2 0 374.569 3.984 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285542 938899607 /nfs/dbraw/zinc/89/96/07/938899607.db2.gz FOODWWFBWMGZSF-BEFAXECRSA-N 2 0 369.475 3.772 20 0 FHADRP CC(C)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091333424 938900279 /nfs/dbraw/zinc/90/02/79/938900279.db2.gz IVGWPHGNKRMPKX-YJBOKZPZSA-N 2 0 357.464 3.628 20 0 FHADRP C[N@H+](CCN1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104943 938925940 /nfs/dbraw/zinc/92/59/40/938925940.db2.gz RVPHMQDTJPCSFV-BJKOFHAPSA-N 2 0 363.549 3.540 20 0 FHADRP CC(C)c1ncc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000093844203 938930895 /nfs/dbraw/zinc/93/08/95/938930895.db2.gz YKBKFBFRVQLZCJ-IRXDYDNUSA-N 2 0 365.587 3.978 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCCSCC2)CC1 ZINC000657869956 938944057 /nfs/dbraw/zinc/94/40/57/938944057.db2.gz AXAFUTGYQNALMZ-WMZOPIPTSA-N 2 0 365.562 3.904 20 0 FHADRP CCOC1CCC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000657870831 938944603 /nfs/dbraw/zinc/94/46/03/938944603.db2.gz GFRPYFPYDVAUJG-IPJUCJBFSA-N 2 0 363.521 3.576 20 0 FHADRP C[C@H]([NH2+][C@H]1CCCSCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657872570 938953213 /nfs/dbraw/zinc/95/32/13/938953213.db2.gz OCCSADQBKQWDDX-RDJZCZTQSA-N 2 0 351.535 3.514 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OC3CC3)CC2)C[C@@H](C)O1 ZINC000685417573 938985031 /nfs/dbraw/zinc/98/50/31/938985031.db2.gz VLJQXQZDYDDVBS-QZTJIDSGSA-N 2 0 358.526 3.549 20 0 FHADRP C[N@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457909 938988011 /nfs/dbraw/zinc/98/80/11/938988011.db2.gz SEQBNZVUXKUFGF-HXUWFJFHSA-N 2 0 371.500 3.686 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000685464198 938988849 /nfs/dbraw/zinc/98/88/49/938988849.db2.gz DJWWQWHBGAHNII-VXKWHMMOSA-N 2 0 372.553 3.800 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657890948 938990185 /nfs/dbraw/zinc/99/01/85/938990185.db2.gz XTFSAKHTMBIIKE-OALUTQOASA-N 2 0 368.521 3.934 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708563116 938991521 /nfs/dbraw/zinc/99/15/21/938991521.db2.gz USDXXKGDBJWUTG-SFHLNBCPSA-N 2 0 365.521 3.761 20 0 FHADRP C[NH+]1CCC(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000685615329 939004989 /nfs/dbraw/zinc/00/49/89/939004989.db2.gz KIJVJWALEOWASY-UHFFFAOYSA-N 2 0 365.237 3.899 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000685630725 939006403 /nfs/dbraw/zinc/00/64/03/939006403.db2.gz PREWPXPWTUJPIJ-JOCHJYFZSA-N 2 0 374.488 3.760 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000657976506 939014883 /nfs/dbraw/zinc/01/48/83/939014883.db2.gz OEEUYTUPZUUAAI-QFBILLFUSA-N 2 0 371.491 3.642 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2c1 ZINC000093734945 939016386 /nfs/dbraw/zinc/01/63/86/939016386.db2.gz BODLUEHZERKBRK-UHFFFAOYSA-N 2 0 368.521 3.925 20 0 FHADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000658054971 939020805 /nfs/dbraw/zinc/02/08/05/939020805.db2.gz GNQAUZRIUMYOTL-YJBOKZPZSA-N 2 0 365.949 3.539 20 0 FHADRP CCc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658066675 939021539 /nfs/dbraw/zinc/02/15/39/939021539.db2.gz CXVBZRJVPCCZFV-QGZVFWFLSA-N 2 0 363.571 3.564 20 0 FHADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068708 939021674 /nfs/dbraw/zinc/02/16/74/939021674.db2.gz YNRKUGODOFUFNX-AOMKIAJQSA-N 2 0 360.517 3.930 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nc2c(s1)CCCC2 ZINC000658068693 939021721 /nfs/dbraw/zinc/02/17/21/939021721.db2.gz YEZBKJFLBQVVPB-OAHLLOKOSA-N 2 0 363.571 3.564 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(OC(F)F)c1 ZINC000658069774 939021733 /nfs/dbraw/zinc/02/17/33/939021733.db2.gz RMCLCSZOBLTIGO-OAHLLOKOSA-N 2 0 368.468 3.830 20 0 FHADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658068236 939021804 /nfs/dbraw/zinc/02/18/04/939021804.db2.gz VGYWVHXCCMKVMC-OFNKIYASSA-N 2 0 372.553 3.635 20 0 FHADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658142908 939035603 /nfs/dbraw/zinc/03/56/03/939035603.db2.gz ZVAVSQBZTVQTEG-OAOOKAIFSA-N 2 0 350.506 3.666 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143566 939036764 /nfs/dbraw/zinc/03/67/64/939036764.db2.gz ZIHJFUMDWVEVHB-KXBFYZLASA-N 2 0 374.912 3.766 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144666 939036929 /nfs/dbraw/zinc/03/69/29/939036929.db2.gz NLXMHGWIAPOTBK-XJKSGUPXSA-N 2 0 350.915 3.819 20 0 FHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137191 939040729 /nfs/dbraw/zinc/04/07/29/939040729.db2.gz JROHRFZNJFSHKS-LAUBAEHRSA-N 2 0 370.562 3.696 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138852 939041116 /nfs/dbraw/zinc/04/11/16/939041116.db2.gz OOICFGUOBJSCFK-TZIWHRDSSA-N 2 0 356.897 3.684 20 0 FHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137443 939041242 /nfs/dbraw/zinc/04/12/42/939041242.db2.gz GVCVSBPXOFDJLN-JTSKRJEESA-N 2 0 356.485 3.503 20 0 FHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000658163757 939052034 /nfs/dbraw/zinc/05/20/34/939052034.db2.gz ASRQBQLXJQVNLR-QFIPXVFZSA-N 2 0 351.494 3.579 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1nc2ccccc2n1C ZINC000658168035 939054293 /nfs/dbraw/zinc/05/42/93/939054293.db2.gz VEYUEBDNAOOWIL-KRWDZBQOSA-N 2 0 363.509 3.531 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237707 939078917 /nfs/dbraw/zinc/07/89/17/939078917.db2.gz YXSOHXRLQMDMMK-QTPAZIJBSA-N 2 0 358.574 3.764 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCC(F)(F)CC2)CC1 ZINC000658321562 939112020 /nfs/dbraw/zinc/11/20/20/939112020.db2.gz UKJNKYQBSSUXBO-QGZVFWFLSA-N 2 0 366.496 3.612 20 0 FHADRP C[NH+](C)Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000548884465 939192252 /nfs/dbraw/zinc/19/22/52/939192252.db2.gz JBQPABQAFQZTEK-UHFFFAOYSA-N 2 0 369.534 3.549 20 0 FHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000163424325 939202226 /nfs/dbraw/zinc/20/22/26/939202226.db2.gz KHSRCDQYUYWGMM-HZMBPMFUSA-N 2 0 351.705 3.955 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000427276397 945246006 /nfs/dbraw/zinc/24/60/06/945246006.db2.gz WNYYBYZAIGAILQ-IBGZPJMESA-N 2 0 359.558 3.705 20 0 FHADRP CC(C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000507462252 945250265 /nfs/dbraw/zinc/25/02/65/945250265.db2.gz OMSWEJCYAPWGCR-SFHVURJKSA-N 2 0 363.512 3.749 20 0 FHADRP CC(C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC000507462251 945250439 /nfs/dbraw/zinc/25/04/39/945250439.db2.gz OMSWEJCYAPWGCR-GOSISDBHSA-N 2 0 363.512 3.749 20 0 FHADRP COc1ccc(Cl)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506036010 945260072 /nfs/dbraw/zinc/26/00/72/945260072.db2.gz KRHPEFLCVXHBMB-UHFFFAOYSA-N 2 0 366.933 3.673 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507493792 945266564 /nfs/dbraw/zinc/26/65/64/945266564.db2.gz HXKJDPBKZNCXOC-IYBDPMFKSA-N 2 0 363.512 3.749 20 0 FHADRP COc1cc2c(cc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)O[C@@H](C)C2 ZINC000518267609 945271499 /nfs/dbraw/zinc/27/14/99/945271499.db2.gz NILCKVYUUOQGQS-KSZLIROESA-N 2 0 360.542 3.866 20 0 FHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)s2)[C@H](c2ccccc2)C1 ZINC000518269690 945274623 /nfs/dbraw/zinc/27/46/23/945274623.db2.gz KLHGKSKSIVMTPR-SFHVURJKSA-N 2 0 363.958 3.870 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414972730 945280113 /nfs/dbraw/zinc/28/01/13/945280113.db2.gz MWCAETOEHZTVHP-KBPBESRZSA-N 2 0 357.420 3.544 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000179703492 939924628 /nfs/dbraw/zinc/92/46/28/939924628.db2.gz CEQWDAPIWSEECC-SFHVURJKSA-N 2 0 358.448 3.793 20 0 FHADRP CSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)ccn1 ZINC000507507055 945286625 /nfs/dbraw/zinc/28/66/25/945286625.db2.gz HBSCYYGXLHKPSX-VAMGGRTRSA-N 2 0 353.535 3.804 20 0 FHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000375902006 940040690 /nfs/dbraw/zinc/04/06/90/940040690.db2.gz DVMUDTHGRYKDPI-SFHVURJKSA-N 2 0 367.990 3.532 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCCC5)[C@H]3C2)cc1 ZINC000507519943 945298751 /nfs/dbraw/zinc/29/87/51/945298751.db2.gz LQGVXYUROCZODA-CSCWZEDUSA-N 2 0 366.549 3.834 20 0 FHADRP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472445469 940168022 /nfs/dbraw/zinc/16/80/22/940168022.db2.gz FMTQSRZNJSUIJW-SBHAEUEKSA-N 2 0 374.573 3.584 20 0 FHADRP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472445471 940168150 /nfs/dbraw/zinc/16/81/50/940168150.db2.gz FMTQSRZNJSUIJW-SVFBPWRDSA-N 2 0 374.573 3.584 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000415009366 945300544 /nfs/dbraw/zinc/30/05/44/945300544.db2.gz TYOKMJMGRYGLJW-BEFAXECRSA-N 2 0 359.901 3.921 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC000584499352 940269631 /nfs/dbraw/zinc/26/96/31/940269631.db2.gz HVXSQEKHZLGBKD-NMIHRBCNSA-N 2 0 360.542 3.633 20 0 FHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000289772839 940394910 /nfs/dbraw/zinc/39/49/10/940394910.db2.gz JXNXCSJGKAVFTM-QRVBRYPASA-N 2 0 370.459 3.988 20 0 FHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000289772843 940395396 /nfs/dbraw/zinc/39/53/96/940395396.db2.gz JXNXCSJGKAVFTM-QYZOEREBSA-N 2 0 370.459 3.988 20 0 FHADRP c1c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc2n1CCCC2 ZINC000376164088 940397050 /nfs/dbraw/zinc/39/70/50/940397050.db2.gz DBVXFECRIGXMFL-DKUWSORSSA-N 2 0 364.537 3.547 20 0 FHADRP c1c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc2n1CCCC2 ZINC000376164090 940397179 /nfs/dbraw/zinc/39/71/79/940397179.db2.gz DBVXFECRIGXMFL-KOUNCHBCSA-N 2 0 364.537 3.547 20 0 FHADRP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177194 940422841 /nfs/dbraw/zinc/42/28/41/940422841.db2.gz GAURJKXEJGGWFR-QHCPKHFHSA-N 2 0 365.521 3.592 20 0 FHADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000431728408 940428835 /nfs/dbraw/zinc/42/88/35/940428835.db2.gz NIMSMPOQRNSGQG-OAQYLSRUSA-N 2 0 357.542 3.552 20 0 FHADRP C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000472503095 940445501 /nfs/dbraw/zinc/44/55/01/940445501.db2.gz RVSDZFNBVAPBOF-CUXKYVRBSA-N 2 0 371.569 3.524 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000685847740 940454563 /nfs/dbraw/zinc/45/45/63/940454563.db2.gz DBICCCZYAXEMRE-AZUAARDMSA-N 2 0 363.590 3.539 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000431769397 940487239 /nfs/dbraw/zinc/48/72/39/940487239.db2.gz HRPANDILRHGOIB-UNMCSNQZSA-N 2 0 371.569 3.650 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000414112703 940597938 /nfs/dbraw/zinc/59/79/38/940597938.db2.gz MZGOQADRJHHMRV-IBGZPJMESA-N 2 0 359.558 3.605 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1C[C@@H]1C ZINC000414151812 940680957 /nfs/dbraw/zinc/68/09/57/940680957.db2.gz WPQJEFKPPYKGBX-FKVLARQCSA-N 2 0 356.554 3.939 20 0 FHADRP CC(C)(C)c1ccc(OCCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000613440697 940712326 /nfs/dbraw/zinc/71/23/26/940712326.db2.gz FDFXCHCILUGDCT-UHFFFAOYSA-N 2 0 374.569 3.797 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189903 940737252 /nfs/dbraw/zinc/73/72/52/940737252.db2.gz RNEVGFAUCDKVKM-GDBMZVCRSA-N 2 0 361.921 3.612 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000613493179 940773138 /nfs/dbraw/zinc/77/31/38/940773138.db2.gz YREDUPNOLOXZNM-UHFFFAOYSA-N 2 0 373.585 3.868 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000613492345 940775753 /nfs/dbraw/zinc/77/57/53/940775753.db2.gz IJUKTSKVIRRKGV-HXUWFJFHSA-N 2 0 373.585 3.925 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000414240712 940821148 /nfs/dbraw/zinc/82/11/48/940821148.db2.gz FBRCUJGMXIQUMG-MOXQZVSFSA-N 2 0 374.573 3.613 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892579932 940826653 /nfs/dbraw/zinc/82/66/53/940826653.db2.gz DCQKPZSMOTYQBU-QGZVFWFLSA-N 2 0 352.526 3.819 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414297126 940913559 /nfs/dbraw/zinc/91/35/59/940913559.db2.gz SAYVTWKJPMPFHV-RBKXMNCYSA-N 2 0 370.512 3.934 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161286962 940915118 /nfs/dbraw/zinc/91/51/18/940915118.db2.gz WFKCULRCGMXQJE-GOSISDBHSA-N 2 0 358.526 3.836 20 0 FHADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414305596 940927457 /nfs/dbraw/zinc/92/74/57/940927457.db2.gz NNBNHKWPZDXMMM-IBGZPJMESA-N 2 0 370.512 3.764 20 0 FHADRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000414311780 940943951 /nfs/dbraw/zinc/94/39/51/940943951.db2.gz VJRWUFQXMBGQDU-HXUWFJFHSA-N 2 0 353.510 3.540 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423036229 940956738 /nfs/dbraw/zinc/95/67/38/940956738.db2.gz SSRYATJFUJKTPW-WBVHZDCISA-N 2 0 350.304 3.723 20 0 FHADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414332491 940991063 /nfs/dbraw/zinc/99/10/63/940991063.db2.gz VGGQACIAYQARNK-DYESRHJHSA-N 2 0 371.569 3.688 20 0 FHADRP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414346926 941018151 /nfs/dbraw/zinc/01/81/51/941018151.db2.gz VVECLZYTFYMRFL-VXKWHMMOSA-N 2 0 371.569 3.688 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)nc1 ZINC000647543925 941065740 /nfs/dbraw/zinc/06/57/40/941065740.db2.gz ULPXDBLRUGUJTF-LEWJYISDSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544015 941065865 /nfs/dbraw/zinc/06/58/65/941065865.db2.gz VOOQMCSRTQRRIG-HZPDHXFCSA-N 2 0 367.331 3.669 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)nc1 ZINC000647543927 941065874 /nfs/dbraw/zinc/06/58/74/941065874.db2.gz ULPXDBLRUGUJTF-RTWAWAEBSA-N 2 0 365.521 3.872 20 0 FHADRP c1ccc(COCc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647549404 941070909 /nfs/dbraw/zinc/07/09/09/941070909.db2.gz YEHGBESRLXYKFJ-MDNUFGMLSA-N 2 0 350.506 3.881 20 0 FHADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248431 941211723 /nfs/dbraw/zinc/21/17/23/941211723.db2.gz AIXZABIKLWQZGK-QAPCUYQASA-N 2 0 355.457 3.696 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000166239875 941227937 /nfs/dbraw/zinc/22/79/37/941227937.db2.gz RAJMKXLAFYFLEE-RXVVDRJESA-N 2 0 362.477 3.833 20 0 FHADRP CCCC1(C[NH2+]CC2CC[NH+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000311391011 941267680 /nfs/dbraw/zinc/26/76/80/941267680.db2.gz QPQPYSCXNBIBRH-UHFFFAOYSA-N 2 0 367.578 3.735 20 0 FHADRP C[NH+](C)Cc1ccc(-c2noc(C(C)(C)[C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000414629508 941419277 /nfs/dbraw/zinc/41/92/77/941419277.db2.gz UMQMUQWRVJVSRB-SFHVURJKSA-N 2 0 350.466 3.776 20 0 FHADRP CCOc1ccc(NC(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000613644692 941541061 /nfs/dbraw/zinc/54/10/61/941541061.db2.gz WVNIZQRVXLUENW-UHFFFAOYSA-N 2 0 373.541 3.612 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000415027312 941549305 /nfs/dbraw/zinc/54/93/05/941549305.db2.gz AXNMHOOUQZIFRB-GOEBONIOSA-N 2 0 357.885 3.809 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415042909 941562456 /nfs/dbraw/zinc/56/24/56/941562456.db2.gz RLTODCHKJROTMB-NOZJJQNGSA-N 2 0 351.210 3.685 20 0 FHADRP CC(C)(C)[C@@H](C[NH3+])NCc1ccc(OC(F)F)c(Br)c1 ZINC000415052938 941568108 /nfs/dbraw/zinc/56/81/08/941568108.db2.gz JDGVUAVGLVHISV-GFCCVEGCSA-N 2 0 351.235 3.514 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059424 941570917 /nfs/dbraw/zinc/57/09/17/941570917.db2.gz WWLOURZPWBLDRR-IRLDBZIGSA-N 2 0 351.494 3.625 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058760 941570988 /nfs/dbraw/zinc/57/09/88/941570988.db2.gz WETWCIHSZSRMTK-GHTZIAJQSA-N 2 0 371.550 3.995 20 0 FHADRP CCCCCOc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415061009 941579469 /nfs/dbraw/zinc/57/94/69/941579469.db2.gz XQLHTRHPJLBSIK-UHFFFAOYSA-N 2 0 359.558 3.562 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690435 941581611 /nfs/dbraw/zinc/58/16/11/941581611.db2.gz KGSXQRBWUXJARK-IEBWSBKVSA-N 2 0 372.488 3.930 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690436 941581735 /nfs/dbraw/zinc/58/17/35/941581735.db2.gz KGSXQRBWUXJARK-MJGOQNOKSA-N 2 0 372.488 3.930 20 0 FHADRP Clc1ccc(C2(C[NH2+]C[C@@H]3CCC[NH2+]C3)CCOCC2)c(Cl)c1 ZINC000415075890 941586736 /nfs/dbraw/zinc/58/67/36/941586736.db2.gz AOZUEDOCQXURCY-CQSZACIVSA-N 2 0 357.325 3.631 20 0 FHADRP c1sc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000415075578 941586775 /nfs/dbraw/zinc/58/67/75/941586775.db2.gz BTEVFRPJBIIWHA-RCCFBDPRSA-N 2 0 356.539 3.648 20 0 FHADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000415078634 941590932 /nfs/dbraw/zinc/59/09/32/941590932.db2.gz GSMREFYKYYNZRP-CABCVRRESA-N 2 0 370.368 3.936 20 0 FHADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCN[C@H](c4ccccc4)C3)CC2)cc1 ZINC000415083444 941592766 /nfs/dbraw/zinc/59/27/66/941592766.db2.gz FKMFORHEOKLMNO-ZEQRLZLVSA-N 2 0 363.549 3.982 20 0 FHADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000415083442 941592956 /nfs/dbraw/zinc/59/29/56/941592956.db2.gz FKMFORHEOKLMNO-DNQXCXABSA-N 2 0 363.549 3.982 20 0 FHADRP Clc1ccc(C2(C[NH2+][C@H]3CCC[NH2+]CC3)CCOCC2)c(Cl)c1 ZINC000415087931 941597471 /nfs/dbraw/zinc/59/74/71/941597471.db2.gz LHNDHGBRMVIFKK-HNNXBMFYSA-N 2 0 357.325 3.773 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415097785 941602627 /nfs/dbraw/zinc/60/26/27/941602627.db2.gz DMCKGRLWXVOSLF-APWZRJJASA-N 2 0 365.512 3.830 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415127415 941615889 /nfs/dbraw/zinc/61/58/89/941615889.db2.gz MXRBMQOPPDENNR-RBBKRZOGSA-N 2 0 354.494 3.567 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000415119946 941617365 /nfs/dbraw/zinc/61/73/65/941617365.db2.gz FNUKTJDPAFZCHC-WBVHZDCISA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000415122372 941617649 /nfs/dbraw/zinc/61/76/49/941617649.db2.gz IFIFRKOHKXTEAF-RBBKRZOGSA-N 2 0 358.526 3.726 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122716 941619611 /nfs/dbraw/zinc/61/96/11/941619611.db2.gz KLOSLIIRJPURGL-IIBYNOLFSA-N 2 0 358.457 3.804 20 0 FHADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415123858 941620088 /nfs/dbraw/zinc/62/00/88/941620088.db2.gz JUZWNFVQGZGMGI-OCCSQVGLSA-N 2 0 352.404 3.512 20 0 FHADRP CCCCCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415124767 941620463 /nfs/dbraw/zinc/62/04/63/941620463.db2.gz NHHHVMSNCZVIJT-IFMALSPDSA-N 2 0 360.542 3.974 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000415124757 941620606 /nfs/dbraw/zinc/62/06/06/941620606.db2.gz RMBDXWSCTUGOJG-HUUCEWRRSA-N 2 0 370.368 3.936 20 0 FHADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415134227 941621051 /nfs/dbraw/zinc/62/10/51/941621051.db2.gz OFLFGJOURIMOKK-HSZRJFAPSA-N 2 0 365.565 3.899 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c2ccccc12 ZINC000415128977 941623007 /nfs/dbraw/zinc/62/30/07/941623007.db2.gz SXYSLRNMKQHKTD-XMSQKQJNSA-N 2 0 354.494 3.567 20 0 FHADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000415141626 941627724 /nfs/dbraw/zinc/62/77/24/941627724.db2.gz NMTLACDLIZDLGX-UHFFFAOYSA-N 2 0 370.440 3.720 20 0 FHADRP Cn1nc(CCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000472754337 941682747 /nfs/dbraw/zinc/68/27/47/941682747.db2.gz PPPOZKDGAGFYOW-NRFANRHFSA-N 2 0 372.532 3.965 20 0 FHADRP C[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513195460 941770673 /nfs/dbraw/zinc/77/06/73/941770673.db2.gz BVQPWLXZODHSHO-SSGMOAHOSA-N 2 0 374.492 3.997 20 0 FHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513218972 941791969 /nfs/dbraw/zinc/79/19/69/941791969.db2.gz RRPCUXPQHQKVBW-INIZCTEOSA-N 2 0 363.512 3.893 20 0 FHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CCCO2 ZINC000377572438 941817134 /nfs/dbraw/zinc/81/71/34/941817134.db2.gz QRLMEXWTLNUTBE-FQEVSTJZSA-N 2 0 369.509 3.724 20 0 FHADRP C[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377628024 941854808 /nfs/dbraw/zinc/85/48/08/941854808.db2.gz QBBRQGXGVKENQW-SJORKVTESA-N 2 0 369.475 3.726 20 0 FHADRP Cn1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1C1CC1 ZINC000893019969 941895134 /nfs/dbraw/zinc/89/51/34/941895134.db2.gz YJZIIYCOJSQFKI-UHFFFAOYSA-N 2 0 364.493 3.812 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 ZINC000513404440 941899197 /nfs/dbraw/zinc/89/91/97/941899197.db2.gz JDFNQCILYOEBGZ-UHFFFAOYSA-N 2 0 351.494 3.621 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000415580169 941922151 /nfs/dbraw/zinc/92/21/51/941922151.db2.gz RBIBOHIIQIEFGT-FQEVSTJZSA-N 2 0 368.525 3.736 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000415595398 941934835 /nfs/dbraw/zinc/93/48/35/941934835.db2.gz KJBCTZBVNVBSBJ-LJQANCHMSA-N 2 0 369.513 3.724 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(-c4ccc(C)cc4)c3)C2)CC1 ZINC000513451078 941937979 /nfs/dbraw/zinc/93/79/79/941937979.db2.gz NSMQDOCYXRMOJP-XMMPIXPASA-N 2 0 363.549 3.874 20 0 FHADRP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991131 941939058 /nfs/dbraw/zinc/93/90/58/941939058.db2.gz PZCLUCMDTAMLSS-KNQAVFIVSA-N 2 0 356.485 3.751 20 0 FHADRP Cc1[nH]nc2ncc(C[NH2+]CC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000513495238 941962670 /nfs/dbraw/zinc/96/26/70/941962670.db2.gz NEXKQICVYQHTKM-APWZRJJASA-N 2 0 363.509 3.657 20 0 FHADRP CC1CC[NH+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513526757 941997828 /nfs/dbraw/zinc/99/78/28/941997828.db2.gz QATVNQNVQPGJAK-JOCHJYFZSA-N 2 0 352.526 3.862 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000433955512 942016248 /nfs/dbraw/zinc/01/62/48/942016248.db2.gz OIKIRTLSTYMHGK-XYEHWOGUSA-N 2 0 374.573 3.756 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000433961070 942018595 /nfs/dbraw/zinc/01/85/95/942018595.db2.gz HDBDEHZYIVJWPA-LEWJYISDSA-N 2 0 360.546 3.510 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1OC ZINC000513677868 942069984 /nfs/dbraw/zinc/06/99/84/942069984.db2.gz DCNSGYRLFQLXNQ-QGZVFWFLSA-N 2 0 369.509 3.974 20 0 FHADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1OC(F)F ZINC000513679020 942078738 /nfs/dbraw/zinc/07/87/38/942078738.db2.gz TXCFAGLHVWACCV-BZUAXINKSA-N 2 0 354.441 3.649 20 0 FHADRP Cc1ccncc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000280156970 942119309 /nfs/dbraw/zinc/11/93/09/942119309.db2.gz FLLLANOOIZGACG-UHFFFAOYSA-N 2 0 353.510 3.551 20 0 FHADRP CCCOc1ccc(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000501913752 942120601 /nfs/dbraw/zinc/12/06/01/942120601.db2.gz FFMFFNUOIYRMAJ-UHFFFAOYSA-N 2 0 361.574 3.716 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000415918090 942142458 /nfs/dbraw/zinc/14/24/58/942142458.db2.gz LBULCGMPZDFMNT-UHFFFAOYSA-N 2 0 369.513 3.717 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000415909757 942144016 /nfs/dbraw/zinc/14/40/16/942144016.db2.gz GMMHZMKVBCGHDC-QGZVFWFLSA-N 2 0 366.509 3.753 20 0 FHADRP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000502002655 942164050 /nfs/dbraw/zinc/16/40/50/942164050.db2.gz BALYZYOWDMDIPN-FYYLOGMGSA-N 2 0 373.585 3.691 20 0 FHADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](CCC(C)(C)C)C2 ZINC001279880116 942164186 /nfs/dbraw/zinc/16/41/86/942164186.db2.gz PWTCWOGDXNJFHV-SIKLNZKXSA-N 2 0 365.606 3.715 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415929149 942164689 /nfs/dbraw/zinc/16/46/89/942164689.db2.gz IQWGAHNPZNIDBJ-UHFFFAOYSA-N 2 0 360.546 3.772 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415929070 942165387 /nfs/dbraw/zinc/16/53/87/942165387.db2.gz YKUHSKXVMWIJOJ-UHFFFAOYSA-N 2 0 360.546 3.772 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415945880 942179046 /nfs/dbraw/zinc/17/90/46/942179046.db2.gz RYILWNWWTAFTRI-UTKZUKDTSA-N 2 0 366.509 3.581 20 0 FHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415945443 942179068 /nfs/dbraw/zinc/17/90/68/942179068.db2.gz CZVYBYKJOVFNMO-UHFFFAOYSA-N 2 0 366.509 3.699 20 0 FHADRP CC(C)[NH+](CCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)C ZINC000415961427 942209030 /nfs/dbraw/zinc/20/90/30/942209030.db2.gz RHRSBFWAJMXGDQ-UHFFFAOYSA-N 2 0 374.451 3.795 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979378 942221245 /nfs/dbraw/zinc/22/12/45/942221245.db2.gz QRBFKPUVRDQUAS-QGZVFWFLSA-N 2 0 366.509 3.841 20 0 FHADRP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415981091 942224942 /nfs/dbraw/zinc/22/49/42/942224942.db2.gz IHKOVJCZRMMVNI-OAQYLSRUSA-N 2 0 366.509 3.534 20 0 FHADRP CC(C)C1CCC([NH+]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000415999435 942249371 /nfs/dbraw/zinc/24/93/71/942249371.db2.gz VEVTWVPKLMSSAR-UHFFFAOYSA-N 2 0 370.541 3.654 20 0 FHADRP COc1ccc2oc([C@H](C)[NH2+]CCCN3CC[NH+](C(C)C)CC3)c(C)c2c1 ZINC000501022902 942266862 /nfs/dbraw/zinc/26/68/62/942266862.db2.gz KNQGJCXCDQEVSU-SFHVURJKSA-N 2 0 373.541 3.817 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c4ccccc34)C2)CC1 ZINC000420918184 942267666 /nfs/dbraw/zinc/26/76/66/942267666.db2.gz VFWVXIGXVBLWKS-SFHVURJKSA-N 2 0 357.929 3.705 20 0 FHADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050650 942275825 /nfs/dbraw/zinc/27/58/25/942275825.db2.gz DVKPBTBPZHNWQZ-UHFFFAOYSA-N 2 0 361.493 3.616 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOc3ccc(C)c(C)c3)CC2)CC1 ZINC000420972541 942286619 /nfs/dbraw/zinc/28/66/19/942286619.db2.gz BEWFPIPEKSNNMY-UHFFFAOYSA-N 2 0 373.585 3.564 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000420977081 942287912 /nfs/dbraw/zinc/28/79/12/942287912.db2.gz HQXGIUAIFITDPS-NRFANRHFSA-N 2 0 361.961 3.819 20 0 FHADRP CCC(CC)n1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000501052568 942289757 /nfs/dbraw/zinc/28/97/57/942289757.db2.gz OUDGGWSJZSQGSF-UHFFFAOYSA-N 2 0 355.530 3.988 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000502271600 942323290 /nfs/dbraw/zinc/32/32/90/942323290.db2.gz FZAPOKOTHMDVKB-OAQYLSRUSA-N 2 0 360.542 3.846 20 0 FHADRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000378181470 942359008 /nfs/dbraw/zinc/35/90/08/942359008.db2.gz CNKWQXHLQNAAHM-INIZCTEOSA-N 3 0 365.512 3.812 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000416136571 942379699 /nfs/dbraw/zinc/37/96/99/942379699.db2.gz LYRQSQSUQJJIRC-QFIPXVFZSA-N 2 0 365.521 3.592 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416146052 942394843 /nfs/dbraw/zinc/39/48/43/942394843.db2.gz NODOPIGAUQUZJW-JOCHJYFZSA-N 2 0 367.537 3.790 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148227 942398653 /nfs/dbraw/zinc/39/86/53/942398653.db2.gz ZLRQJVYWESGIDG-JYRKZWEQSA-N 2 0 357.542 3.543 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000416158411 942407558 /nfs/dbraw/zinc/40/75/58/942407558.db2.gz KRDZYWHCEOHENB-JOCHJYFZSA-N 2 0 367.537 3.836 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000502416169 942432239 /nfs/dbraw/zinc/43/22/39/942432239.db2.gz ORPGQNPPBJLBQQ-OALUTQOASA-N 2 0 362.558 3.901 20 0 FHADRP CCCC[NH+](CCCC)CCNc1cccc2cc([C@@H]3C[NH2+]CCO3)cn21 ZINC001167733515 942486659 /nfs/dbraw/zinc/48/66/59/942486659.db2.gz XYOJDAIFLJODSI-NRFANRHFSA-N 2 0 372.557 3.914 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421338328 942510421 /nfs/dbraw/zinc/51/04/21/942510421.db2.gz FAWOLRBDTFSMLN-HSZRJFAPSA-N 2 0 350.506 3.811 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c(C)oc4ccccc43)CC2)CC1 ZINC000421372187 942523914 /nfs/dbraw/zinc/52/39/14/942523914.db2.gz KQKYPMREGJKHSY-UHFFFAOYSA-N 2 0 355.526 3.733 20 0 FHADRP Cc1ccc(OCc2nc(C[NH2+]C3CCC([NH+](C)C)CC3)cs2)cc1 ZINC000421377953 942528659 /nfs/dbraw/zinc/52/86/59/942528659.db2.gz URHSJKQTPYCSIJ-UHFFFAOYSA-N 2 0 359.539 3.993 20 0 FHADRP Clc1cc2cccnc2c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513817679 942535332 /nfs/dbraw/zinc/53/53/32/942535332.db2.gz MSEZEGNEIYQHNE-UHFFFAOYSA-N 2 0 373.928 3.823 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4cc(F)ccc4o3)CC2)CC1 ZINC000421382638 942536379 /nfs/dbraw/zinc/53/63/79/942536379.db2.gz YJHPKFIGXCUCNZ-UHFFFAOYSA-N 2 0 359.489 3.564 20 0 FHADRP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818591 942536304 /nfs/dbraw/zinc/53/63/04/942536304.db2.gz GMKLPDDTEKVVJL-HNNXBMFYSA-N 2 0 354.897 3.974 20 0 FHADRP Cc1cc(C)cc(OCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513818107 942537090 /nfs/dbraw/zinc/53/70/90/942537090.db2.gz VZABIPYTLVELOQ-UHFFFAOYSA-N 2 0 360.542 3.507 20 0 FHADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414838855 942546360 /nfs/dbraw/zinc/54/63/60/942546360.db2.gz LRUWNNSIEXNCMS-MRXNPFEDSA-N 2 0 360.523 3.815 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000513835211 942549372 /nfs/dbraw/zinc/54/93/72/942549372.db2.gz IYMUVSHTIIZGAA-UHFFFAOYSA-N 2 0 357.542 3.665 20 0 FHADRP Cc1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)oc2c1c(C)ccc2C ZINC000502582874 942562308 /nfs/dbraw/zinc/56/23/08/942562308.db2.gz XEMTZFVGTNVJGB-UHFFFAOYSA-N 2 0 373.541 3.704 20 0 FHADRP C[C@@H]1CCC[C@](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)([NH+](C)C)C1 ZINC000549416665 942585715 /nfs/dbraw/zinc/58/57/15/942585715.db2.gz ZFANDQRMUOXKJF-GCJKJVERSA-N 2 0 357.542 3.523 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414843931 942586097 /nfs/dbraw/zinc/58/60/97/942586097.db2.gz QRYSVKADCOPNIF-ZDUSSCGKSA-N 2 0 352.404 3.575 20 0 FHADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909464 942601618 /nfs/dbraw/zinc/60/16/18/942601618.db2.gz NKSKROPJKSUSMR-VQTJNVASSA-N 2 0 359.558 3.524 20 0 FHADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000513912866 942603994 /nfs/dbraw/zinc/60/39/94/942603994.db2.gz ITQVADCQVSTTAI-OAQYLSRUSA-N 2 0 371.569 3.524 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cc(Br)cs2)cc1 ZINC000420298662 942609043 /nfs/dbraw/zinc/60/90/43/942609043.db2.gz FNQNCKHGRPAQMR-CYBMUJFWSA-N 2 0 369.328 3.694 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000420303967 942612233 /nfs/dbraw/zinc/61/22/33/942612233.db2.gz IDXPCGLBYSXLBR-UHFFFAOYSA-N 2 0 358.917 3.927 20 0 FHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311745 942614994 /nfs/dbraw/zinc/61/49/94/942614994.db2.gz RJWWBFKMRNGWBU-ZYSHUDEJSA-N 2 0 356.901 3.665 20 0 FHADRP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420319508 942620110 /nfs/dbraw/zinc/62/01/10/942620110.db2.gz AIGLDFZKTPFPDQ-RTWAWAEBSA-N 2 0 363.505 3.760 20 0 FHADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc2ccccc21 ZINC000420341197 942624920 /nfs/dbraw/zinc/62/49/20/942624920.db2.gz OBVUEMPPYWICCR-HXUWFJFHSA-N 2 0 351.494 3.632 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328213 942630543 /nfs/dbraw/zinc/63/05/43/942630543.db2.gz ZQGHMLSORAMYLT-DENIHFKCSA-N 2 0 353.510 3.641 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CC12CCOCC2 ZINC000420333787 942631037 /nfs/dbraw/zinc/63/10/37/942631037.db2.gz SXNRVDQBNBMTON-CYBMUJFWSA-N 2 0 350.915 3.742 20 0 FHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420362338 942638746 /nfs/dbraw/zinc/63/87/46/942638746.db2.gz MZUOVBYJTKJJDX-HXUWFJFHSA-N 2 0 367.493 3.785 20 0 FHADRP COc1cccc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)c1OCc1ccccc1F ZINC000420363714 942640027 /nfs/dbraw/zinc/64/00/27/942640027.db2.gz CBRNLEXUUIMBEP-QGZVFWFLSA-N 2 0 372.484 3.845 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000420366218 942640428 /nfs/dbraw/zinc/64/04/28/942640428.db2.gz FUUPNHLOZIBWLM-CTNGQTDRSA-N 2 0 372.484 3.558 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000420379582 942646446 /nfs/dbraw/zinc/64/64/46/942646446.db2.gz BFJJAEGRBPBQSP-WMZOPIPTSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420377991 942646520 /nfs/dbraw/zinc/64/65/20/942646520.db2.gz TZDBQZAYTIRSGJ-VKJFTORMSA-N 2 0 367.331 3.601 20 0 FHADRP CC(C)(C)c1cccc(OCCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420380746 942647226 /nfs/dbraw/zinc/64/72/26/942647226.db2.gz CDHOQUXVRJAJAB-IRLDBZIGSA-N 2 0 374.569 3.971 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420385764 942648770 /nfs/dbraw/zinc/64/87/70/942648770.db2.gz HZVSZQFCVRJTOW-FSPWUOQZSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)C1 ZINC000420384811 942648825 /nfs/dbraw/zinc/64/88/25/942648825.db2.gz GVIHOLMJTQZKAA-WMLDXEAASA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000420390212 942652053 /nfs/dbraw/zinc/65/20/53/942652053.db2.gz ZAPLONWNKALALN-GOTSBHOMSA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000420394600 942653656 /nfs/dbraw/zinc/65/36/56/942653656.db2.gz RYJJTLJQNFYXCF-GGAORHGYSA-N 2 0 368.521 3.827 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393683 942653669 /nfs/dbraw/zinc/65/36/69/942653669.db2.gz QPCOOJMIRPVKMX-SKDZVZGDSA-N 2 0 354.441 3.567 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397599 942654266 /nfs/dbraw/zinc/65/42/66/942654266.db2.gz XPDVBWUAHKEEFL-XWIAVFTESA-N 2 0 367.331 3.728 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397596 942654515 /nfs/dbraw/zinc/65/45/15/942654515.db2.gz XPDVBWUAHKEEFL-JEBQAFNWSA-N 2 0 367.331 3.728 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403440 942661631 /nfs/dbraw/zinc/66/16/31/942661631.db2.gz RMWSMUPKZWQHLH-NQIIRXRSSA-N 2 0 351.494 3.632 20 0 FHADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000429591482 942679369 /nfs/dbraw/zinc/67/93/69/942679369.db2.gz RAALQJBPIIOYIM-OAHLLOKOSA-N 2 0 355.507 3.507 20 0 FHADRP CC(C)[C@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501793669 942680902 /nfs/dbraw/zinc/68/09/02/942680902.db2.gz IMWFOSHBTBEBAD-QFIPXVFZSA-N 2 0 359.558 3.554 20 0 FHADRP CC(C)[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000502747019 942714452 /nfs/dbraw/zinc/71/44/52/942714452.db2.gz CBKRVDKVBZGWFU-AZUAARDMSA-N 2 0 374.573 3.535 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1C[NH+]1CCCCC1 ZINC000378512196 942845789 /nfs/dbraw/zinc/84/57/89/942845789.db2.gz JVFDUYQVRZHCPC-OXJNMPFZSA-N 2 0 368.525 3.612 20 0 FHADRP Cc1ccc2c(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248350 942848692 /nfs/dbraw/zinc/84/86/92/942848692.db2.gz ORKPNTZSHUCPOE-AEFFLSMTSA-N 2 0 353.510 3.991 20 0 FHADRP COC1([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000421860735 942851196 /nfs/dbraw/zinc/85/11/96/942851196.db2.gz VAUTWYHEGJWDSE-GOSISDBHSA-N 2 0 360.542 3.987 20 0 FHADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414854946 942977415 /nfs/dbraw/zinc/97/74/15/942977415.db2.gz MHWGNCBOVJNZCX-XLIONFOSSA-N 2 0 354.494 3.752 20 0 FHADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414854945 942977477 /nfs/dbraw/zinc/97/74/77/942977477.db2.gz MHWGNCBOVJNZCX-PXNSSMCTSA-N 2 0 354.494 3.752 20 0 FHADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)c2ccccc2)CC1 ZINC000584575592 943015296 /nfs/dbraw/zinc/01/52/96/943015296.db2.gz JVTUKGZWQGGQKB-NSQNTRMNSA-N 2 0 363.549 3.685 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271709311 943038595 /nfs/dbraw/zinc/03/85/95/943038595.db2.gz MNMIAOSCLIHLNY-YMRXKLBXSA-N 2 0 372.340 3.604 20 0 FHADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414863730 943098524 /nfs/dbraw/zinc/09/85/24/943098524.db2.gz YBGATDSMYKVKGH-WBVHZDCISA-N 2 0 360.523 3.813 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)c1 ZINC000414655336 943110531 /nfs/dbraw/zinc/11/05/31/943110531.db2.gz KQIBKNKLOPLSBH-UHFFFAOYSA-N 2 0 356.466 3.667 20 0 FHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000272239925 943119936 /nfs/dbraw/zinc/11/99/36/943119936.db2.gz VEPVCKVYDNGEGK-LEWJYISDSA-N 2 0 370.541 3.540 20 0 FHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000272239932 943119997 /nfs/dbraw/zinc/11/99/97/943119997.db2.gz VEPVCKVYDNGEGK-SFTDATJTSA-N 2 0 370.541 3.540 20 0 FHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414662926 943148296 /nfs/dbraw/zinc/14/82/96/943148296.db2.gz QSWDGTGDOBQABD-LJQANCHMSA-N 2 0 355.530 3.865 20 0 FHADRP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422687690 943227118 /nfs/dbraw/zinc/22/71/18/943227118.db2.gz BVWRKPMTHMLMLI-OXJNMPFZSA-N 2 0 355.482 3.880 20 0 FHADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422706257 943241197 /nfs/dbraw/zinc/24/11/97/943241197.db2.gz UBXBSCDXLPDLIH-OIISXLGYSA-N 2 0 355.295 3.641 20 0 FHADRP c1ccc(OCc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422729989 943248249 /nfs/dbraw/zinc/24/82/49/943248249.db2.gz IWUNOQASBBFJLD-RJGXRXQPSA-N 2 0 366.505 3.512 20 0 FHADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422731593 943250049 /nfs/dbraw/zinc/25/00/49/943250049.db2.gz NRAJSEQMHWBZTD-FZKQIMNGSA-N 2 0 356.341 3.688 20 0 FHADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422731595 943250312 /nfs/dbraw/zinc/25/03/12/943250312.db2.gz NRAJSEQMHWBZTD-SCLBCKFNSA-N 2 0 356.341 3.688 20 0 FHADRP c1cn(Cc2ccc(-c3ccccc3C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cn1 ZINC000422714897 943253894 /nfs/dbraw/zinc/25/38/94/943253894.db2.gz LOJCVIIAKJDJDZ-AIZNXBIQSA-N 2 0 372.516 3.971 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714791 943253983 /nfs/dbraw/zinc/25/39/83/943253983.db2.gz RNFBHBTZNJFATA-YLJYHZDGSA-N 2 0 355.457 3.685 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC(C)C)c1 ZINC000422723278 943258940 /nfs/dbraw/zinc/25/89/40/943258940.db2.gz QSTTYTSPBYXPHW-OAHLLOKOSA-N 2 0 354.498 3.684 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)nc1 ZINC000422724114 943259162 /nfs/dbraw/zinc/25/91/62/943259162.db2.gz UNNSAZGBWSVFHC-YPAWHYETSA-N 2 0 351.494 3.671 20 0 FHADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758742 943263136 /nfs/dbraw/zinc/26/31/36/943263136.db2.gz JWLPBTLYMHWJDZ-IBZMOEQTSA-N 2 0 374.431 3.578 20 0 FHADRP Fc1ccc2[nH]cc(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2c1 ZINC000422759984 943263426 /nfs/dbraw/zinc/26/34/26/943263426.db2.gz LIRCHKIAMFJGPN-IFMALSPDSA-N 2 0 365.452 3.695 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737742 943264563 /nfs/dbraw/zinc/26/45/63/943264563.db2.gz XVTKLQBWCOYSIQ-JCGIZDLHSA-N 2 0 354.897 3.503 20 0 FHADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422741392 943267222 /nfs/dbraw/zinc/26/72/22/943267222.db2.gz DJTMHMFTXFTERI-ZEYPLWLESA-N 2 0 363.505 3.501 20 0 FHADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422768899 943275512 /nfs/dbraw/zinc/27/55/12/943275512.db2.gz VCCQKZCCQHVSQM-AGOPTVSRSA-N 2 0 357.542 3.564 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422768325 943275650 /nfs/dbraw/zinc/27/56/50/943275650.db2.gz NTIGZHXIFPVKBQ-KSEOMHKRSA-N 2 0 352.526 3.890 20 0 FHADRP CC[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422769564 943275906 /nfs/dbraw/zinc/27/59/06/943275906.db2.gz VHHQTWQFBDPJHU-ROUUACIJSA-N 2 0 370.459 3.874 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)c1 ZINC000422769559 943276380 /nfs/dbraw/zinc/27/63/80/943276380.db2.gz VGNFVQFQVYOIJJ-XUVXKRRUSA-N 2 0 362.945 3.899 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771849 943277800 /nfs/dbraw/zinc/27/78/00/943277800.db2.gz RRFYTILEDBBHFG-UGKGYDQZSA-N 2 0 354.494 3.719 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775195 943278557 /nfs/dbraw/zinc/27/85/57/943278557.db2.gz AMZSEQQOGXWMIC-DOTOQJQBSA-N 2 0 358.917 3.822 20 0 FHADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422784508 943281747 /nfs/dbraw/zinc/28/17/47/943281747.db2.gz MHZFAVJUSXOTMM-PWRODBHTSA-N 2 0 361.961 3.815 20 0 FHADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422786412 943283163 /nfs/dbraw/zinc/28/31/63/943283163.db2.gz OMLBOFOVFKFBPB-NBCNXNJRSA-N 2 0 352.478 3.910 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422766218 943284824 /nfs/dbraw/zinc/28/48/24/943284824.db2.gz RAFDXXYTRACROD-CHWSQXEVSA-N 2 0 373.324 3.965 20 0 FHADRP CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1cccc(OC)c1 ZINC000422800037 943287748 /nfs/dbraw/zinc/28/77/48/943287748.db2.gz ZEYFOIYGEPVSOY-OPAMFIHVSA-N 2 0 370.541 3.591 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000396656573 943292583 /nfs/dbraw/zinc/29/25/83/943292583.db2.gz VXVSPRFXIPPCAU-KSZLIROESA-N 2 0 355.567 3.875 20 0 FHADRP Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422822302 943296533 /nfs/dbraw/zinc/29/65/33/943296533.db2.gz AODMPWHEOFKLFN-OIBXWCBGSA-N 2 0 351.538 3.680 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422831282 943299063 /nfs/dbraw/zinc/29/90/63/943299063.db2.gz DKQUGDGMSIBBDI-KZNAEPCWSA-N 2 0 362.514 3.503 20 0 FHADRP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696284 943300495 /nfs/dbraw/zinc/30/04/95/943300495.db2.gz HDVXNAQLYKIQBC-OALUTQOASA-N 2 0 365.521 3.544 20 0 FHADRP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696280 943300556 /nfs/dbraw/zinc/30/05/56/943300556.db2.gz HDVXNAQLYKIQBC-MOPGFXCFSA-N 2 0 365.521 3.544 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818460 943303137 /nfs/dbraw/zinc/30/31/37/943303137.db2.gz GEMQWVYTIXYLOP-GMAHTHKFSA-N 2 0 369.553 3.629 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850934 943305459 /nfs/dbraw/zinc/30/54/59/943305459.db2.gz WIPKCGCMAWYPKC-YLJYHZDGSA-N 2 0 355.457 3.685 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000422864104 943309288 /nfs/dbraw/zinc/30/92/88/943309288.db2.gz TXQBGMASHKUODZ-KFKAGJAMSA-N 2 0 350.934 3.884 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422861549 943309540 /nfs/dbraw/zinc/30/95/40/943309540.db2.gz OJJQSAXGADFTOA-LPHOPBHVSA-N 2 0 356.510 3.530 20 0 FHADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000514819844 943311112 /nfs/dbraw/zinc/31/11/12/943311112.db2.gz CFMYVLZHILCEMY-INIZCTEOSA-N 2 0 352.544 3.572 20 0 FHADRP Clc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843423 943312267 /nfs/dbraw/zinc/31/22/67/943312267.db2.gz IFPGVYIJFUAHTQ-MHTWAQMVSA-N 2 0 361.961 3.987 20 0 FHADRP COc1ccccc1C1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422844600 943313100 /nfs/dbraw/zinc/31/31/00/943313100.db2.gz MIHVRYHLBHUSIZ-WMZHIEFXSA-N 2 0 364.489 3.572 20 0 FHADRP C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700998 943313722 /nfs/dbraw/zinc/31/37/22/943313722.db2.gz JWNQRYVFZSVYJX-MJGOQNOKSA-N 2 0 371.550 3.509 20 0 FHADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422891851 943314454 /nfs/dbraw/zinc/31/44/54/943314454.db2.gz LSGMEKITWFOHHD-PCCBWWKXSA-N 2 0 356.558 3.718 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883726 943316969 /nfs/dbraw/zinc/31/69/69/943316969.db2.gz VKUPPWLIDREZTA-YADHBBJMSA-N 2 0 366.505 3.868 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422888427 943319033 /nfs/dbraw/zinc/31/90/33/943319033.db2.gz CUCUBAFXWJTBJK-KSSFIOAISA-N 2 0 352.400 3.676 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)CCCC[NH3+])CCOCC1 ZINC000422898001 943324002 /nfs/dbraw/zinc/32/40/02/943324002.db2.gz DFVPBBMQMOCUEQ-HNNXBMFYSA-N 2 0 354.922 3.504 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422902987 943325978 /nfs/dbraw/zinc/32/59/78/943325978.db2.gz VMEAESPHIOPRGF-PMACEKPBSA-N 2 0 374.569 3.952 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425340740 943328917 /nfs/dbraw/zinc/32/89/17/943328917.db2.gz FHGKWUGTDMAQOK-UCLAIMLFSA-N 2 0 351.535 3.512 20 0 FHADRP Cc1ccc(OCCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422894054 943330998 /nfs/dbraw/zinc/33/09/98/943330998.db2.gz BLSDOPHIQGKHHL-JTHBVZDNSA-N 2 0 366.505 4.000 20 0 FHADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1)N1CCCCC1 ZINC000422924353 943332833 /nfs/dbraw/zinc/33/28/33/943332833.db2.gz ARDUSHNVYZUEEF-FDFHNCONSA-N 2 0 369.553 3.713 20 0 FHADRP Cc1ccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422927077 943334162 /nfs/dbraw/zinc/33/41/62/943334162.db2.gz YDHNGEIHMVYZIF-UWJYYQICSA-N 2 0 374.550 3.513 20 0 FHADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000422929739 943335393 /nfs/dbraw/zinc/33/53/93/943335393.db2.gz RHZPASBUDVRZLK-VXKWHMMOSA-N 2 0 354.494 3.894 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422934547 943336981 /nfs/dbraw/zinc/33/69/81/943336981.db2.gz JTLUTPKXQVKTBA-UGSOOPFHSA-N 2 0 365.290 3.679 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422940103 943338886 /nfs/dbraw/zinc/33/88/86/943338886.db2.gz IQSXKTGTVXDAAE-CYBMUJFWSA-N 2 0 360.889 3.572 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000422943175 943340359 /nfs/dbraw/zinc/34/03/59/943340359.db2.gz QMAMANBQWPMKHG-QWHCGFSZSA-N 2 0 362.315 3.893 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC(C)C)c2cccs2)CC[NH2+]CC1 ZINC000422943998 943345011 /nfs/dbraw/zinc/34/50/11/943345011.db2.gz LWMFEPWJNNVZMV-HOTGVXAUSA-N 2 0 352.544 3.746 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422950139 943347043 /nfs/dbraw/zinc/34/70/43/943347043.db2.gz VLFSOWGAWXVVPC-OAHLLOKOSA-N 2 0 369.347 3.604 20 0 FHADRP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422951543 943347693 /nfs/dbraw/zinc/34/76/93/943347693.db2.gz YZDJQAMANYADEY-RBBKRZOGSA-N 2 0 352.478 3.528 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000422959651 943350813 /nfs/dbraw/zinc/35/08/13/943350813.db2.gz TUKIIRWAOITTBW-HNNXBMFYSA-N 2 0 373.928 3.901 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435375097 943356662 /nfs/dbraw/zinc/35/66/62/943356662.db2.gz ZOHBCXJHYXLTSU-VQIMIIECSA-N 2 0 367.493 3.507 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377643 943358097 /nfs/dbraw/zinc/35/80/97/943358097.db2.gz DWDNAAHMNWTXPH-PWIZWCRZSA-N 2 0 352.478 3.540 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000422998161 943360223 /nfs/dbraw/zinc/36/02/23/943360223.db2.gz CKRBNUPCZSCPJC-YDXQKAQTSA-N 3 0 355.570 3.797 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423002857 943361630 /nfs/dbraw/zinc/36/16/30/943361630.db2.gz KBDPTAQRPYLUJO-CYBMUJFWSA-N 2 0 367.415 3.778 20 0 FHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371178 943364851 /nfs/dbraw/zinc/36/48/51/943364851.db2.gz LPKJLUXJVOFTKH-ZBFHGGJFSA-N 2 0 357.885 3.761 20 0 FHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@@H]12 ZINC000435379151 943368203 /nfs/dbraw/zinc/36/82/03/943368203.db2.gz LFCJNUUZOLSUQW-QKYXUNIQSA-N 2 0 369.896 3.761 20 0 FHADRP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423048563 943369381 /nfs/dbraw/zinc/36/93/81/943369381.db2.gz WWKQUDUZCIXORZ-YWEGSRERSA-N 2 0 365.924 3.876 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382149 943370861 /nfs/dbraw/zinc/37/08/61/943370861.db2.gz ZTNMNOZPNSJYKW-GHTZIAJQSA-N 2 0 360.505 3.768 20 0 FHADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414713290 943373900 /nfs/dbraw/zinc/37/39/00/943373900.db2.gz ONLHBQHBMSQJOG-IRXDYDNUSA-N 2 0 358.530 3.652 20 0 FHADRP CC(C)c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713237 943374206 /nfs/dbraw/zinc/37/42/06/943374206.db2.gz UDRPPLHLYBJJSF-RXVVDRJESA-N 2 0 357.542 3.534 20 0 FHADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387361 943374207 /nfs/dbraw/zinc/37/42/07/943374207.db2.gz ZWIVIXUBVPNAKJ-UYAOXDASSA-N 2 0 353.510 3.837 20 0 FHADRP CC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435387232 943374360 /nfs/dbraw/zinc/37/43/60/943374360.db2.gz YMDHVWAFUDFMKB-OAHLLOKOSA-N 2 0 360.420 3.600 20 0 FHADRP Clc1cc2c(c(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c1)OCC2 ZINC000423039998 943374488 /nfs/dbraw/zinc/37/44/88/943374488.db2.gz SBZRFQLURKGVJS-GHTZIAJQSA-N 2 0 370.880 3.620 20 0 FHADRP Clc1cc2c(c(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c1)OCC2 ZINC000423040001 943374606 /nfs/dbraw/zinc/37/46/06/943374606.db2.gz SBZRFQLURKGVJS-WIYYLYMNSA-N 2 0 370.880 3.620 20 0 FHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423043970 943375853 /nfs/dbraw/zinc/37/58/53/943375853.db2.gz QHMGCPDXQOZSRP-CNNODRBYSA-N 2 0 368.452 3.885 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423056467 943377195 /nfs/dbraw/zinc/37/71/95/943377195.db2.gz FXJHFQIUYQCHSI-BVPBIZIASA-N 2 0 356.432 3.556 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cc3ccccc3s2)CC[NH2+]CC1 ZINC000423062735 943378934 /nfs/dbraw/zinc/37/89/34/943378934.db2.gz UWBSWHQJLGFDLV-CABCVRRESA-N 2 0 360.523 3.873 20 0 FHADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423073405 943382539 /nfs/dbraw/zinc/38/25/39/943382539.db2.gz RKNCGGHAEBLTDT-BHIYHBOVSA-N 2 0 366.933 3.766 20 0 FHADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423072676 943382558 /nfs/dbraw/zinc/38/25/58/943382558.db2.gz HMJPJBZVUGNGHB-VJFDXUIRSA-N 2 0 374.544 3.800 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423051464 943383642 /nfs/dbraw/zinc/38/36/42/943383642.db2.gz NJWHZWXYEOGROO-ORYQWCPZSA-N 2 0 353.510 3.883 20 0 FHADRP CC[N@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435396257 943390082 /nfs/dbraw/zinc/39/00/82/943390082.db2.gz XGZGCAQFXOVCTD-FQEVSTJZSA-N 2 0 369.509 3.633 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097095 943392518 /nfs/dbraw/zinc/39/25/18/943392518.db2.gz AHHDHWPBNWAFLK-ZENOOKHLSA-N 2 0 365.871 3.981 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097927 943393412 /nfs/dbraw/zinc/39/34/12/943393412.db2.gz RNAWCBIOICIQFD-VMUDFCTBSA-N 2 0 355.295 3.941 20 0 FHADRP CSCc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100472 943394019 /nfs/dbraw/zinc/39/40/19/943394019.db2.gz BTWXHLLROSYVMU-PZJWPPBQSA-N 2 0 354.519 3.895 20 0 FHADRP CCn1ccnc1C[N@H+](C[C@@H](C)Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433253 943396734 /nfs/dbraw/zinc/39/67/34/943396734.db2.gz MZONXZCELNCORC-FPOVZHCZSA-N 2 0 366.553 3.726 20 0 FHADRP COc1cc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423127007 943399184 /nfs/dbraw/zinc/39/91/84/943399184.db2.gz BQWAUCJSGVBBHX-GHTZIAJQSA-N 2 0 372.896 3.737 20 0 FHADRP C[C@H](CCc1ccccc1)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435420367 943400485 /nfs/dbraw/zinc/40/04/85/943400485.db2.gz BUNGCGSYCMFKOC-CTNGQTDRSA-N 2 0 366.553 3.633 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112746 943405768 /nfs/dbraw/zinc/40/57/68/943405768.db2.gz KHJOKQRSRYQDDM-CNNODRBYSA-N 2 0 368.452 3.667 20 0 FHADRP c1cc(C[N@H+](Cc2ccc3c(c2)CCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000414720143 943408755 /nfs/dbraw/zinc/40/87/55/943408755.db2.gz BDNQMSUWBXMLMV-FQEVSTJZSA-N 2 0 354.519 3.827 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423153698 943411680 /nfs/dbraw/zinc/41/16/80/943411680.db2.gz GTGGXFWURCXKMR-SCOBNMCVSA-N 2 0 360.299 3.975 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000563060983 943413761 /nfs/dbraw/zinc/41/37/61/943413761.db2.gz SHOJXVKWKIJZSZ-MSOLQXFVSA-N 2 0 365.521 3.868 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423138519 943415765 /nfs/dbraw/zinc/41/57/65/943415765.db2.gz TVLRKXDNCZWZKK-OXJNMPFZSA-N 2 0 370.566 3.602 20 0 FHADRP Cc1ccc(Oc2ccccc2CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000423173423 943425965 /nfs/dbraw/zinc/42/59/65/943425965.db2.gz YNYVIKXFPDIMHA-DUXKGJEZSA-N 2 0 354.494 3.672 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417223551 943439377 /nfs/dbraw/zinc/43/93/77/943439377.db2.gz SKORZMCRTHLDDW-QWFCFKBJSA-N 2 0 374.573 3.522 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000503986612 943443129 /nfs/dbraw/zinc/44/31/29/943443129.db2.gz LWGIGDASHQAIQE-CTNGQTDRSA-N 2 0 374.573 3.582 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220055 943448259 /nfs/dbraw/zinc/44/82/59/943448259.db2.gz XVEHUGCOCDDUDY-YVEFUNNKSA-N 2 0 362.315 3.897 20 0 FHADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264569 943455689 /nfs/dbraw/zinc/45/56/89/943455689.db2.gz ABOCIVGOFRZCJD-KNBMTAEXSA-N 2 0 364.555 3.571 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423252368 943460060 /nfs/dbraw/zinc/46/00/60/943460060.db2.gz UCJWPFPJMWUULO-KNQAVFIVSA-N 3 0 361.549 3.968 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254557 943460597 /nfs/dbraw/zinc/46/05/97/943460597.db2.gz YMBCCOKQFUENOF-SJCJKPOMSA-N 2 0 362.315 3.897 20 0 FHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283162 943463532 /nfs/dbraw/zinc/46/35/32/943463532.db2.gz XJNBSWVSPFGWKB-MEDUHNTESA-N 2 0 350.304 3.753 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000423291570 943465426 /nfs/dbraw/zinc/46/54/26/943465426.db2.gz IWAIWRQBDIHPBS-RVHYNSKXSA-N 2 0 373.928 3.521 20 0 FHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423325913 943480803 /nfs/dbraw/zinc/48/08/03/943480803.db2.gz JZTQXQUSQWLWKG-NSHDSACASA-N 2 0 364.383 3.930 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2=CC[NH2+]CC2)CCC3)cc1 ZINC000423333974 943482554 /nfs/dbraw/zinc/48/25/54/943482554.db2.gz FJPDPNMNVWYDQU-KRWDZBQOSA-N 2 0 355.507 3.705 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000423373613 943485722 /nfs/dbraw/zinc/48/57/22/943485722.db2.gz HSZVCNWAMBMSTQ-RTWAWAEBSA-N 2 0 350.462 3.561 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)CCC3)cc1 ZINC000423354271 943488291 /nfs/dbraw/zinc/48/82/91/943488291.db2.gz COUGUQNQYILIII-FDQGKXFDSA-N 2 0 357.523 3.784 20 0 FHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423355836 943489188 /nfs/dbraw/zinc/48/91/88/943489188.db2.gz PRWMYQKIHYBTKH-NPFVIJTESA-N 2 0 350.510 3.541 20 0 FHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423355835 943489341 /nfs/dbraw/zinc/48/93/41/943489341.db2.gz PRWMYQKIHYBTKH-HVETUWLQSA-N 2 0 350.510 3.541 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc(OC)cc2)cc1 ZINC000423368331 943493533 /nfs/dbraw/zinc/49/35/33/943493533.db2.gz RVKPBXHMYWQWLQ-KNQAVFIVSA-N 2 0 354.494 3.719 20 0 FHADRP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423371606 943494471 /nfs/dbraw/zinc/49/44/71/943494471.db2.gz HQQSGIXEZLXQMJ-ATLSCFEFSA-N 2 0 350.478 3.565 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423379997 943496033 /nfs/dbraw/zinc/49/60/33/943496033.db2.gz MMFJPXBOHYKHOH-DLBZAZTESA-N 2 0 351.494 3.662 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394961 943500638 /nfs/dbraw/zinc/50/06/38/943500638.db2.gz NASGKMPQCBLTOX-JEBQAFNWSA-N 2 0 367.331 3.504 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423425737 943506458 /nfs/dbraw/zinc/50/64/58/943506458.db2.gz HALLKPVROOJLEW-CWRNSKLLSA-N 2 0 353.279 3.553 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403834 943507513 /nfs/dbraw/zinc/50/75/13/943507513.db2.gz SGKOSHGWGZIODC-JGFGOQIWSA-N 2 0 362.315 3.895 20 0 FHADRP COCC1(C[NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000423407224 943508651 /nfs/dbraw/zinc/50/86/51/943508651.db2.gz MAVKBQFSWIAXQM-NRFANRHFSA-N 2 0 356.485 3.829 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423406126 943508785 /nfs/dbraw/zinc/50/87/85/943508785.db2.gz YOFJTZBFGHNANY-DXIQSLLYSA-N 2 0 354.494 3.847 20 0 FHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423407071 943509355 /nfs/dbraw/zinc/50/93/55/943509355.db2.gz VGPMMVORGDRONO-PSHZPRKYSA-N 2 0 355.345 3.820 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423409124 943509855 /nfs/dbraw/zinc/50/98/55/943509855.db2.gz POQMZBXXQUNBEI-MRXNPFEDSA-N 2 0 354.947 3.873 20 0 FHADRP COCC1(C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423412110 943510353 /nfs/dbraw/zinc/51/03/53/943510353.db2.gz WDASHNCQDFBCIA-OAHLLOKOSA-N 2 0 358.448 3.632 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000423426952 943515355 /nfs/dbraw/zinc/51/53/55/943515355.db2.gz PYPMJMVQMNXKKB-POZUXBRTSA-N 2 0 357.523 3.581 20 0 FHADRP CC(C)(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423434268 943517904 /nfs/dbraw/zinc/51/79/04/943517904.db2.gz KISAXXQMCUHNTK-HXUWFJFHSA-N 2 0 357.542 3.626 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000423459308 943522278 /nfs/dbraw/zinc/52/22/78/943522278.db2.gz RAPMFWMTNABYDJ-ZJUUUORDSA-N 2 0 364.125 3.990 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501023 943530100 /nfs/dbraw/zinc/53/01/00/943530100.db2.gz KUVJJFHMPLIHLC-KXBFYZLASA-N 2 0 355.482 3.784 20 0 FHADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423507375 943532283 /nfs/dbraw/zinc/53/22/83/943532283.db2.gz QAAXOPOCFWGEOR-DVECYGJZSA-N 2 0 365.565 3.934 20 0 FHADRP Cc1ccccc1COc1ccc([C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423507210 943532451 /nfs/dbraw/zinc/53/24/51/943532451.db2.gz HUDCBXVJYSIYHD-PGRDOPGGSA-N 2 0 354.494 3.603 20 0 FHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423495562 943537150 /nfs/dbraw/zinc/53/71/50/943537150.db2.gz UTYJPEMWVIIDJK-DCAQKATOSA-N 2 0 350.356 3.667 20 0 FHADRP Clc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423521099 943544741 /nfs/dbraw/zinc/54/47/41/943544741.db2.gz SDFIBFWSSVKCDJ-LEOMRAHMSA-N 2 0 365.974 3.683 20 0 FHADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523999 943545576 /nfs/dbraw/zinc/54/55/76/943545576.db2.gz WRJJCXDABXCDHI-JRSKDTKFSA-N 2 0 368.352 3.787 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000423526361 943547324 /nfs/dbraw/zinc/54/73/24/943547324.db2.gz ZFQZNHLBKIUBIV-NNGSBXSVSA-N 2 0 361.917 3.953 20 0 FHADRP NC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423560951 943549574 /nfs/dbraw/zinc/54/95/74/943549574.db2.gz JUDSKJVBIWPBCA-OAQYLSRUSA-N 2 0 369.940 3.910 20 0 FHADRP COCCC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423536420 943550136 /nfs/dbraw/zinc/55/01/36/943550136.db2.gz HVSPJDVHHHFHEP-GOSISDBHSA-N 2 0 367.331 3.816 20 0 FHADRP CCC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423541314 943552583 /nfs/dbraw/zinc/55/25/83/943552583.db2.gz AQDWTICPWLAMLA-NRFANRHFSA-N 2 0 352.526 3.506 20 0 FHADRP Brc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)s1 ZINC000423555623 943556658 /nfs/dbraw/zinc/55/66/58/943556658.db2.gz YEWKLYBBPFSEGS-VPWBDBDCSA-N 2 0 355.345 3.939 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000423566530 943558936 /nfs/dbraw/zinc/55/89/36/943558936.db2.gz MBEMLWKBVBUSMV-IBGZPJMESA-N 2 0 374.532 3.879 20 0 FHADRP NC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423580758 943563767 /nfs/dbraw/zinc/56/37/67/943563767.db2.gz YKXDWGDXLNGNLN-QFIPXVFZSA-N 2 0 367.512 3.786 20 0 FHADRP c1ccc2c(CC[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nsc2c1 ZINC000660234365 943694832 /nfs/dbraw/zinc/69/48/32/943694832.db2.gz WRDHXDODUYXOOO-UHFFFAOYSA-N 2 0 373.566 3.663 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1ccsc1 ZINC000424131235 943758065 /nfs/dbraw/zinc/75/80/65/943758065.db2.gz IRPXREGCVLMKBU-MSOLQXFVSA-N 2 0 351.560 3.545 20 0 FHADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000516885577 943793934 /nfs/dbraw/zinc/79/39/34/943793934.db2.gz WWNZUAFBGZPKFB-FQEVSTJZSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(C(=O)Nc3ccccc3)c1)CC[NH2+]CC2 ZINC000424286673 943819451 /nfs/dbraw/zinc/81/94/51/943819451.db2.gz HRHJOPDUSSGORK-SFHVURJKSA-N 2 0 363.505 3.903 20 0 FHADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866933 943827364 /nfs/dbraw/zinc/82/73/64/943827364.db2.gz YGDHYMHUXWZUMU-NZQKXSOJSA-N 2 0 351.538 3.619 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC000424273844 943830280 /nfs/dbraw/zinc/83/02/80/943830280.db2.gz XPYHTUIGVGRPSR-UHFFFAOYSA-N 2 0 366.505 3.847 20 0 FHADRP CCC(CC)(CNC(=O)NCCC1=CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417702799 943839145 /nfs/dbraw/zinc/83/91/45/943839145.db2.gz LFZDFBWGBJTCQV-SFHVURJKSA-N 2 0 372.557 3.505 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417705792 943840709 /nfs/dbraw/zinc/84/07/09/943840709.db2.gz NYHBWLOHJXSLCR-NSHGMRRFSA-N 2 0 374.573 3.522 20 0 FHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]2C1 ZINC000424322327 943843886 /nfs/dbraw/zinc/84/38/86/943843886.db2.gz VHNCQIGEKMWTGQ-IZUAECHCSA-N 2 0 354.538 3.975 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478070 943846576 /nfs/dbraw/zinc/84/65/76/943846576.db2.gz OUKXTYJRDRTHPS-QMMLZNLJSA-N 2 0 365.512 3.953 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516970682 943871301 /nfs/dbraw/zinc/87/13/01/943871301.db2.gz YYYYEGPEEJCGKZ-YADHBBJMSA-N 2 0 366.553 3.678 20 0 FHADRP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785236 943876537 /nfs/dbraw/zinc/87/65/37/943876537.db2.gz SFBLQKDDQWATTI-DLBZAZTESA-N 2 0 357.523 3.544 20 0 FHADRP Clc1nccc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)sc21 ZINC000894290034 943881781 /nfs/dbraw/zinc/88/17/81/943881781.db2.gz XYONSDRBZUVGGU-ZDUSSCGKSA-N 2 0 365.930 3.540 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424377184 943886982 /nfs/dbraw/zinc/88/69/82/943886982.db2.gz LVZFZAVZXVNUES-OAHLLOKOSA-N 2 0 356.489 3.592 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1)CC1CC1 ZINC000417834496 943901173 /nfs/dbraw/zinc/90/11/73/943901173.db2.gz JXTVWHGEPZXCJD-UHFFFAOYSA-N 2 0 371.569 3.722 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000424438113 943914571 /nfs/dbraw/zinc/91/45/71/943914571.db2.gz OXAOHPGXOPBKJF-MRXNPFEDSA-N 2 0 372.538 3.549 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)Cc1ccccc1 ZINC000424443558 943917217 /nfs/dbraw/zinc/91/72/17/943917217.db2.gz KRDQXRSMYUPOLC-OAQYLSRUSA-N 2 0 368.525 3.528 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC12CCOCC2 ZINC000414789292 943931478 /nfs/dbraw/zinc/93/14/78/943931478.db2.gz NUIKCIDVYRWPRZ-INIZCTEOSA-N 2 0 360.498 3.742 20 0 FHADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000517046367 943949549 /nfs/dbraw/zinc/94/95/49/943949549.db2.gz FCMQTWMGBCQHEA-YJBOKZPZSA-N 2 0 373.463 3.652 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515520648 943974889 /nfs/dbraw/zinc/97/48/89/943974889.db2.gz HGCZTKCGRQJPLQ-ZSYWTGECSA-N 2 0 359.558 3.557 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000505133175 944063757 /nfs/dbraw/zinc/06/37/57/944063757.db2.gz DOZHODZFCLMOPK-IRXDYDNUSA-N 2 0 373.463 3.591 20 0 FHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000437771213 944100012 /nfs/dbraw/zinc/10/00/12/944100012.db2.gz IESXDCWFAAXQPO-VXNXHJTFSA-N 2 0 364.533 3.853 20 0 FHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000437771207 944100111 /nfs/dbraw/zinc/10/01/11/944100111.db2.gz IESXDCWFAAXQPO-HJOGWXRNSA-N 2 0 364.533 3.853 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414812294 944105143 /nfs/dbraw/zinc/10/51/43/944105143.db2.gz QZJJJLWHSYLAHO-IBGZPJMESA-N 3 0 366.553 3.528 20 0 FHADRP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116945 944123415 /nfs/dbraw/zinc/12/34/15/944123415.db2.gz PIAURPGFSADTIQ-GOTSBHOMSA-N 2 0 357.586 3.979 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414815758 944127470 /nfs/dbraw/zinc/12/74/70/944127470.db2.gz UZEREFWRVVYYOQ-SFHVURJKSA-N 2 0 352.526 3.850 20 0 FHADRP C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000651469331 944136703 /nfs/dbraw/zinc/13/67/03/944136703.db2.gz KQGMKEUGQTWNHN-ODIFPOPNSA-N 2 0 356.457 3.828 20 0 FHADRP Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000418082332 944137551 /nfs/dbraw/zinc/13/75/51/944137551.db2.gz XBKKUAHSLPFVJI-JOCHJYFZSA-N 2 0 366.553 3.851 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436236491 944138818 /nfs/dbraw/zinc/13/88/18/944138818.db2.gz FVRCYXOYTYKQNI-UHFFFAOYSA-N 2 0 370.522 3.759 20 0 FHADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414818101 944139025 /nfs/dbraw/zinc/13/90/25/944139025.db2.gz CSAIDBPTYLRKTO-STQMWFEESA-N 2 0 351.288 3.697 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000414818120 944139099 /nfs/dbraw/zinc/13/90/99/944139099.db2.gz UUOJIMNYLAYSSX-HOTGVXAUSA-N 2 0 373.928 3.887 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000500126467 944141414 /nfs/dbraw/zinc/14/14/14/944141414.db2.gz AHGUGCGAKQHZIQ-LJQANCHMSA-N 2 0 374.573 3.592 20 0 FHADRP CCCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000515756145 944184685 /nfs/dbraw/zinc/18/46/85/944184685.db2.gz NLLORXRCGFGELA-RBUKOAKNSA-N 2 0 359.558 3.703 20 0 FHADRP [NH3+]C1(Cc2ccc(F)cc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975185 944277998 /nfs/dbraw/zinc/27/79/98/944277998.db2.gz KYBHTPOZKFBCFY-CBQGHPETSA-N 3 0 371.544 3.567 20 0 FHADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475100 944287743 /nfs/dbraw/zinc/28/77/43/944287743.db2.gz SFNWXMYQYQWEOZ-PLACYPQZSA-N 2 0 363.590 3.752 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000439091101 944330064 /nfs/dbraw/zinc/33/00/64/944330064.db2.gz YOBUMRLODZCNPE-IAGOWNOFSA-N 2 0 361.530 3.959 20 0 FHADRP CSC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[NH+](C)CC1 ZINC000515924053 944333223 /nfs/dbraw/zinc/33/32/23/944333223.db2.gz CLYYXWVCWCXYRP-UHFFFAOYSA-N 2 0 359.514 3.805 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000426303194 944417019 /nfs/dbraw/zinc/41/70/19/944417019.db2.gz WSYWYZJQTOPYDX-HKUYNNGSSA-N 2 0 371.500 3.696 20 0 FHADRP Brc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167962610 944477834 /nfs/dbraw/zinc/47/78/34/944477834.db2.gz YYUVSVGQKGGJCQ-YQQQUEKLSA-N 2 0 363.343 3.987 20 0 FHADRP C1=CC[C@@H](C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)CC1 ZINC001167982041 944493359 /nfs/dbraw/zinc/49/33/59/944493359.db2.gz UHIQDNKQFRKIJK-JJXTWPQTSA-N 2 0 357.586 3.802 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000518595396 944523691 /nfs/dbraw/zinc/52/36/91/944523691.db2.gz WOQQITDPHCCYNI-OALUTQOASA-N 2 0 374.573 3.589 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350344 944527813 /nfs/dbraw/zinc/52/78/13/944527813.db2.gz HMBKTVNYMBGUQD-WMZOPIPTSA-N 2 0 358.555 3.704 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414994970 944544673 /nfs/dbraw/zinc/54/46/73/944544673.db2.gz FGPOKNCCRPIVGT-UYAOXDASSA-N 2 0 354.494 3.881 20 0 FHADRP CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000517763150 944583242 /nfs/dbraw/zinc/58/32/42/944583242.db2.gz KGEFBFBXGZXCQI-UHFFFAOYSA-N 2 0 357.542 3.665 20 0 FHADRP c1cncc(OCC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167983269 944615955 /nfs/dbraw/zinc/61/59/55/944615955.db2.gz DPTBTAHPANWBIO-WCRBZPEASA-N 2 0 355.526 3.578 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000414998143 944618231 /nfs/dbraw/zinc/61/82/31/944618231.db2.gz HXVMPRHXJKBDEV-FXAWDEMLSA-N 2 0 361.493 3.541 20 0 FHADRP c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[NH+]2CCCC2)cc1 ZINC001167964556 944624306 /nfs/dbraw/zinc/62/43/06/944624306.db2.gz SOIJCLXNAUVWRC-GLCCWIKHSA-N 2 0 353.554 3.819 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)nc1 ZINC001167983728 944668118 /nfs/dbraw/zinc/66/81/18/944668118.db2.gz UAJVMBSIQZFIGI-INIZCTEOSA-N 2 0 364.493 3.607 20 0 FHADRP Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000506861651 944691198 /nfs/dbraw/zinc/69/11/98/944691198.db2.gz MHHNTKZORQTBAR-UHFFFAOYSA-N 2 0 372.484 3.938 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000518754473 944697985 /nfs/dbraw/zinc/69/79/85/944697985.db2.gz NQTAWNDHHQGUNV-UHFFFAOYSA-N 2 0 351.579 3.517 20 0 FHADRP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000516309873 944710682 /nfs/dbraw/zinc/71/06/82/944710682.db2.gz AODIIGROGLIBNM-UHFFFAOYSA-N 2 0 373.541 3.662 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000517865818 944762783 /nfs/dbraw/zinc/76/27/83/944762783.db2.gz POBQSHYWWVPUDX-TZIWHRDSSA-N 2 0 359.558 3.698 20 0 FHADRP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000426429138 944780024 /nfs/dbraw/zinc/78/00/24/944780024.db2.gz VQASLQPRKXCNSK-UHFFFAOYSA-N 2 0 371.569 3.622 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000438572491 944809513 /nfs/dbraw/zinc/80/95/13/944809513.db2.gz RFPOYDOMQOUCQD-UHFFFAOYSA-N 2 0 351.494 3.639 20 0 FHADRP CC[N@H+](CCc1nccs1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093764724 944888771 /nfs/dbraw/zinc/88/87/71/944888771.db2.gz IKUFJSUNMGZIHR-UHFFFAOYSA-N 2 0 359.539 3.682 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000518086041 945005409 /nfs/dbraw/zinc/00/54/09/945005409.db2.gz SGDDFXKVJZNDMR-OALUTQOASA-N 2 0 374.573 3.591 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000437101227 945019789 /nfs/dbraw/zinc/01/97/89/945019789.db2.gz YNQRWEVSVREIQI-RTBURBONSA-N 2 0 367.537 3.586 20 0 FHADRP CCOc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1F ZINC000426165288 945045667 /nfs/dbraw/zinc/04/56/67/945045667.db2.gz YGJHXBRVNSCTJW-UHFFFAOYSA-N 2 0 364.505 3.549 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000506368235 945053358 /nfs/dbraw/zinc/05/33/58/945053358.db2.gz HIDYSOOBQOFERS-UHFFFAOYSA-N 2 0 354.542 3.853 20 0 FHADRP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](C/C=C/c1ccncc1)CC2 ZINC000426167039 945058053 /nfs/dbraw/zinc/05/80/53/945058053.db2.gz INLBLHJNTJSXJN-ZMUQKWFASA-N 2 0 354.523 3.538 20 0 FHADRP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675712 945384766 /nfs/dbraw/zinc/38/47/66/945384766.db2.gz LDRDVBZLRBUQDL-HXUWFJFHSA-N 2 0 371.569 3.525 20 0 FHADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029490 945419863 /nfs/dbraw/zinc/41/98/63/945419863.db2.gz RXDOFUWXNACNJD-KRWDZBQOSA-N 2 0 354.897 3.645 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000415021308 945503676 /nfs/dbraw/zinc/50/36/76/945503676.db2.gz KMYRIXZHRTZMQM-MFKMUULPSA-N 2 0 358.326 3.776 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000537961557 945533792 /nfs/dbraw/zinc/53/37/92/945533792.db2.gz ONBKRKXWTIBRFJ-QHAWAJNXSA-N 2 0 370.537 3.790 20 0 FHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000187777163 945593295 /nfs/dbraw/zinc/59/32/95/945593295.db2.gz GPPRDWPFBHJWST-GCJKJVERSA-N 2 0 360.542 3.592 20 0 FHADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2ccccc2s1 ZINC000187781579 945597148 /nfs/dbraw/zinc/59/71/48/945597148.db2.gz LVWMJCSUPRJKNG-MRXNPFEDSA-N 2 0 366.534 3.899 20 0 FHADRP Cc1noc2ncc(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894422991 945621006 /nfs/dbraw/zinc/62/10/06/945621006.db2.gz NOHASCAZABYDRR-DNVCBOLYSA-N 2 0 350.466 3.531 20 0 FHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519694022 945667250 /nfs/dbraw/zinc/66/72/50/945667250.db2.gz UWICRLHGRMVRAX-HDICACEKSA-N 2 0 359.558 3.835 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110820232 945740473 /nfs/dbraw/zinc/74/04/73/945740473.db2.gz FYRMGGFCCIWRAE-GOSISDBHSA-N 2 0 351.332 3.769 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110820235 945740774 /nfs/dbraw/zinc/74/07/74/945740774.db2.gz FYRMGGFCCIWRAE-SFHVURJKSA-N 2 0 351.332 3.769 20 0 FHADRP CCCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001167970794 945780304 /nfs/dbraw/zinc/78/03/04/945780304.db2.gz NDDGSVLIZPWGBB-YQQQUEKLSA-N 2 0 365.562 3.629 20 0 FHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000188114506 945973164 /nfs/dbraw/zinc/97/31/64/945973164.db2.gz OMHQPRDWHLSNLO-FCHUYYIVSA-N 2 0 360.542 3.593 20 0 FHADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000645504402 945979591 /nfs/dbraw/zinc/97/95/91/945979591.db2.gz IYVJZUZQYYYPQC-HUUCEWRRSA-N 2 0 357.723 3.861 20 0 FHADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(I)cc1 ZINC000594508456 946069693 /nfs/dbraw/zinc/06/96/93/946069693.db2.gz BZBIDVAKKLDQAN-MAZHCROVSA-N 2 0 372.294 3.672 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000302052928 946098447 /nfs/dbraw/zinc/09/84/47/946098447.db2.gz PLJZWKYDMNDSPG-UHFFFAOYSA-N 2 0 353.510 3.654 20 0 FHADRP c1ccc(OCCCCC[NH2+]CC2(N3CCCCC3)CCOCC2)cc1 ZINC000188261894 946186901 /nfs/dbraw/zinc/18/69/01/946186901.db2.gz YZXIMQFUXWYTMR-UHFFFAOYSA-N 2 0 360.542 3.860 20 0 FHADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746603 946306686 /nfs/dbraw/zinc/30/66/86/946306686.db2.gz SIJASJQBESPWPL-CXAGYDPISA-N 2 0 360.299 3.918 20 0 FHADRP CC(C)Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000893486620 946406842 /nfs/dbraw/zinc/40/68/42/946406842.db2.gz GQWFEVGFVMSXTL-HSZRJFAPSA-N 2 0 367.537 3.527 20 0 FHADRP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067942 946428746 /nfs/dbraw/zinc/42/87/46/946428746.db2.gz VGLBHWPNHUVBSB-YHELAOLJSA-N 2 0 358.526 3.703 20 0 FHADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652170032 946433611 /nfs/dbraw/zinc/43/36/11/946433611.db2.gz YVTCNZFKOHGWIE-VSKRKVRLSA-N 2 0 357.542 3.670 20 0 FHADRP CC(C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+]1CCCCC1 ZINC000520355090 946442541 /nfs/dbraw/zinc/44/25/41/946442541.db2.gz DNRLPQHSHAYWQY-NRFANRHFSA-N 2 0 359.558 3.654 20 0 FHADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000475137802 946458605 /nfs/dbraw/zinc/45/86/05/946458605.db2.gz TYKWXWHTQYSJIP-UHFFFAOYSA-N 2 0 360.395 3.827 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208686 946466846 /nfs/dbraw/zinc/46/68/46/946466846.db2.gz MIYJZOXANQBTOW-KRWDZBQOSA-N 2 0 355.438 3.601 20 0 FHADRP CC(C)[NH2+]CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000840887721 946514901 /nfs/dbraw/zinc/51/49/01/946514901.db2.gz NNWLESPPRDGJPB-UHFFFAOYSA-N 2 0 361.530 3.544 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C3)cc1 ZINC000652247370 946528253 /nfs/dbraw/zinc/52/82/53/946528253.db2.gz JISIDLCUTRGOLT-GPJHCHHRSA-N 2 0 354.538 3.977 20 0 FHADRP CCN(C(C)=O)C1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056997 946536500 /nfs/dbraw/zinc/53/65/00/946536500.db2.gz LIOKNOZWFFILSC-OALUTQOASA-N 2 0 371.569 3.761 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC(=O)N3C)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058239 946603794 /nfs/dbraw/zinc/60/37/94/946603794.db2.gz PRTJPGDDLFDPRP-CEQLMSFQSA-N 2 0 369.553 3.515 20 0 FHADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000661775657 946617922 /nfs/dbraw/zinc/61/79/22/946617922.db2.gz UYKPUVICTKLAPA-XZOQPEGZSA-N 2 0 366.553 3.907 20 0 FHADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001167990879 946691114 /nfs/dbraw/zinc/69/11/14/946691114.db2.gz ATWRNNLRMUDOKG-UHFFFAOYSA-N 2 0 365.456 3.977 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C[C@H](C)O1 ZINC000544379667 946710654 /nfs/dbraw/zinc/71/06/54/946710654.db2.gz SNTKNIUSDSPDBU-KGVIQGDOSA-N 2 0 371.500 3.789 20 0 FHADRP C[C@H]1CC(N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059622 946732982 /nfs/dbraw/zinc/73/29/82/946732982.db2.gz UIQLNLHILPFKQN-JAXLGGSGSA-N 2 0 355.570 3.988 20 0 FHADRP c1csc(CN2C[C@H]3CC[C@@H](C2)[NH+]3C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167992746 946766974 /nfs/dbraw/zinc/76/69/74/946766974.db2.gz KTQJMADLIODIIC-JUJYPNOZSA-N 2 0 371.594 3.802 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3ccccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168060277 946779770 /nfs/dbraw/zinc/77/97/70/946779770.db2.gz WGHITPSXNXLXIN-MXNKGDRCSA-N 2 0 365.521 3.976 20 0 FHADRP c1cn(-c2csc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)cn1 ZINC000475285812 946825166 /nfs/dbraw/zinc/82/51/66/946825166.db2.gz HRXJJQUCPGRSAL-GOSISDBHSA-N 2 0 352.507 3.546 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288369 946826317 /nfs/dbraw/zinc/82/63/17/946826317.db2.gz SKTHXLPDFIGIPW-FGCOXFRFSA-N 2 0 363.549 3.619 20 0 FHADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000565158294 946830980 /nfs/dbraw/zinc/83/09/80/946830980.db2.gz VTSCBEVHOQBDTF-BXUZGUMPSA-N 2 0 366.328 3.884 20 0 FHADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824585331 946834280 /nfs/dbraw/zinc/83/42/80/946834280.db2.gz PXJRKTNFKJSXEA-QGZVFWFLSA-N 2 0 356.518 3.564 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824616933 946864382 /nfs/dbraw/zinc/86/43/82/946864382.db2.gz BKZJBCUGDXEDEJ-MRXNPFEDSA-N 2 0 364.497 3.558 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCSc3ccc(Cl)cc3)C2)C1 ZINC000652345559 946871897 /nfs/dbraw/zinc/87/18/97/946871897.db2.gz FJAXOLHUVPIPIJ-LESCRADOSA-N 2 0 354.947 3.650 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824626489 946872753 /nfs/dbraw/zinc/87/27/53/946872753.db2.gz PDGVMPCXSKNOAP-INIZCTEOSA-N 2 0 364.497 3.558 20 0 FHADRP COc1ccccc1[C@H](O)C[N@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994734 946890022 /nfs/dbraw/zinc/89/00/22/946890022.db2.gz MNFBHUWSAGCCGY-XQXKNUKBSA-N 2 0 372.553 3.844 20 0 FHADRP CC(C)(C)c1cccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348337 946891264 /nfs/dbraw/zinc/89/12/64/946891264.db2.gz AKINCVYAMWZISW-VCOUNFBDSA-N 2 0 374.569 3.971 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348625 946894161 /nfs/dbraw/zinc/89/41/61/946894161.db2.gz KTBCNUCCBMRLTJ-UHOSZYNNSA-N 2 0 370.459 3.856 20 0 FHADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000909603642 946927669 /nfs/dbraw/zinc/92/76/69/946927669.db2.gz PNHWKKVVYLEGBV-FQEVSTJZSA-N 2 0 351.494 3.517 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)n2)cc1F ZINC000475363591 946955412 /nfs/dbraw/zinc/95/54/12/946955412.db2.gz WNFDWPHCILRSIS-SFHVURJKSA-N 2 0 374.504 3.923 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000655711093 946980409 /nfs/dbraw/zinc/98/04/09/946980409.db2.gz DRTQBVCSSRXFFE-UHFFFAOYSA-N 2 0 372.582 3.544 20 0 FHADRP c1ccc(C[NH+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995715 946981138 /nfs/dbraw/zinc/98/11/38/946981138.db2.gz OVIQROCRLWDLGX-GFWMXMCESA-N 2 0 365.565 3.598 20 0 FHADRP CN(C)Cc1cnc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)s1 ZINC000511922358 947005637 /nfs/dbraw/zinc/00/56/37/947005637.db2.gz KHGQKTDDUVFIMY-MSOLQXFVSA-N 2 0 359.539 3.678 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000583665806 947006430 /nfs/dbraw/zinc/00/64/30/947006430.db2.gz NTZBCCSKAXLOKG-UHFFFAOYSA-N 2 0 364.892 3.794 20 0 FHADRP c1ccc(C[N@H+]2CCC[C@H]3CN(CCC[NH+]4CCCCC4)CC[C@@H]32)cc1 ZINC000444601908 947028528 /nfs/dbraw/zinc/02/85/28/947028528.db2.gz GENVYLGOAHLVSB-GOTSBHOMSA-N 2 0 355.570 3.849 20 0 FHADRP C[C@H]1CC(N2CC([NH+]3CCC(F)CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064602 947065544 /nfs/dbraw/zinc/06/55/44/947065544.db2.gz QNMYDIKOZQEAOE-ROUUACIJSA-N 2 0 359.533 3.546 20 0 FHADRP C[C@@H]1CC(N2CC([NH+]3CCC(F)CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064600 947065741 /nfs/dbraw/zinc/06/57/41/947065741.db2.gz QNMYDIKOZQEAOE-QZTJIDSGSA-N 2 0 359.533 3.546 20 0 FHADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCO[C@@H]2CCCCO2)CC3)cc1 ZINC000444656987 947076393 /nfs/dbraw/zinc/07/63/93/947076393.db2.gz AWMCFDRZIYHTOL-OAQYLSRUSA-N 2 0 358.526 3.518 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000192924182 947105198 /nfs/dbraw/zinc/10/51/98/947105198.db2.gz IRYZBBYKLPKZOI-KRWDZBQOSA-N 2 0 374.912 3.969 20 0 FHADRP COC(=O)C[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065424 947127836 /nfs/dbraw/zinc/12/78/36/947127836.db2.gz VROWRKWIJLJBQG-KOUHRCEDSA-N 2 0 358.526 3.703 20 0 FHADRP COC(=O)C[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065422 947128295 /nfs/dbraw/zinc/12/82/95/947128295.db2.gz VROWRKWIJLJBQG-BJLQDIEVSA-N 2 0 358.526 3.703 20 0 FHADRP CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766023 947201906 /nfs/dbraw/zinc/20/19/06/947201906.db2.gz GGGCAUBDNDMZHU-PZJWPPBQSA-N 2 0 371.569 3.524 20 0 FHADRP CCC([NH3+])(CC)CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613121 947470967 /nfs/dbraw/zinc/47/09/67/947470967.db2.gz KJAPMDKIRAJIEA-UHFFFAOYSA-N 2 0 364.559 3.514 20 0 FHADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000523838764 947659611 /nfs/dbraw/zinc/65/96/11/947659611.db2.gz IPJYGKMVYIXFAE-DENIHFKCSA-N 2 0 371.569 3.839 20 0 FHADRP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254948 947675743 /nfs/dbraw/zinc/67/57/43/947675743.db2.gz CCOHTEBJHRKUMM-PXNSSMCTSA-N 2 0 366.505 3.876 20 0 FHADRP Clc1cc(Br)cnc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662296370 947722881 /nfs/dbraw/zinc/72/28/81/947722881.db2.gz YZPHACUIIGMVMP-CYBMUJFWSA-N 2 0 372.738 3.709 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297274 947724141 /nfs/dbraw/zinc/72/41/41/947724141.db2.gz OXZVURNODCHIOC-UWJYYQICSA-N 2 0 371.569 3.850 20 0 FHADRP CO[C@@H](C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C1CCCCC1 ZINC000662327131 947750530 /nfs/dbraw/zinc/75/05/30/947750530.db2.gz KCEFRHGDXJWRHB-QFIPXVFZSA-N 2 0 374.573 3.651 20 0 FHADRP CC(C)OC1CC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000189545728 947763038 /nfs/dbraw/zinc/76/30/38/947763038.db2.gz REVGODONCVKVNJ-UHFFFAOYSA-N 2 0 360.542 3.603 20 0 FHADRP CC(C)[NH2+]CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000662370315 947770316 /nfs/dbraw/zinc/77/03/16/947770316.db2.gz BUKSPZLTPKEIAJ-UHFFFAOYSA-N 2 0 365.521 3.564 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4c(s3)CC[NH2+]C4)cc2)C1 ZINC000662386503 947777525 /nfs/dbraw/zinc/77/75/25/947777525.db2.gz BEIVUUSKXVSFOX-OAHLLOKOSA-N 2 0 369.534 3.878 20 0 FHADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000663346633 947816262 /nfs/dbraw/zinc/81/62/62/947816262.db2.gz BKXCWWSAGBFCBO-INIZCTEOSA-N 2 0 367.331 3.669 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675354 947975053 /nfs/dbraw/zinc/97/50/53/947975053.db2.gz LXTQXOMZSMUNGI-KDOFPFPSSA-N 2 0 369.431 3.542 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000549612265 948013173 /nfs/dbraw/zinc/01/31/73/948013173.db2.gz ULDPOHQBJCOVGA-IOMROCGXSA-N 2 0 358.526 3.878 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821149 948078908 /nfs/dbraw/zinc/07/89/08/948078908.db2.gz BVLDFHMROGMSIT-YLJYHZDGSA-N 2 0 363.571 3.687 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821587 948080089 /nfs/dbraw/zinc/08/00/89/948080089.db2.gz DWCPVVOIBQMVEK-GMAHTHKFSA-N 2 0 373.585 3.868 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001167822235 948087267 /nfs/dbraw/zinc/08/72/67/948087267.db2.gz HUNFPQIOMBCXEL-UYAOXDASSA-N 2 0 352.563 3.547 20 0 FHADRP CCCOc1c(Br)cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663498185 948114119 /nfs/dbraw/zinc/11/41/19/948114119.db2.gz MNNCHYTUCTYNQM-OAHLLOKOSA-N 2 0 373.335 3.710 20 0 FHADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000663500483 948119252 /nfs/dbraw/zinc/11/92/52/948119252.db2.gz SZUTVNDEVKTCIQ-GFCCVEGCSA-N 2 0 351.235 3.514 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001167825377 948120069 /nfs/dbraw/zinc/12/00/69/948120069.db2.gz JYAPBBAKEGAXAM-QGZVFWFLSA-N 2 0 372.513 3.517 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC001167827840 948159848 /nfs/dbraw/zinc/15/98/48/948159848.db2.gz YFNIPVCSORRBIG-LJQANCHMSA-N 2 0 354.542 3.867 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001167827822 948160069 /nfs/dbraw/zinc/16/00/69/948160069.db2.gz XUNQLQBCYZJPRV-SFHVURJKSA-N 2 0 351.966 3.968 20 0 FHADRP Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534753 948192437 /nfs/dbraw/zinc/19/24/37/948192437.db2.gz BTVKJMROCIRGJD-HUUCEWRRSA-N 2 0 355.707 3.822 20 0 FHADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000520510139 948192725 /nfs/dbraw/zinc/19/27/25/948192725.db2.gz DXPSMGHLYROPLC-OAQYLSRUSA-N 2 0 359.558 3.654 20 0 FHADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000512022532 948211175 /nfs/dbraw/zinc/21/11/75/948211175.db2.gz GVPYQYWCTCLZRB-UHFFFAOYSA-N 2 0 355.320 3.669 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515766 948218646 /nfs/dbraw/zinc/21/86/46/948218646.db2.gz DSCIQZMNIWYOOH-RTBURBONSA-N 2 0 365.587 3.758 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001167833401 948223634 /nfs/dbraw/zinc/22/36/34/948223634.db2.gz AWRQXPLEOAFPAT-CADBVGFASA-N 2 0 367.578 3.732 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001167834064 948246244 /nfs/dbraw/zinc/24/62/44/948246244.db2.gz HDTWOCAVKCGSMU-OKZBNKHCSA-N 2 0 355.567 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001167834414 948253069 /nfs/dbraw/zinc/25/30/69/948253069.db2.gz JPBLAWQSMMVBNK-QGZVFWFLSA-N 2 0 363.521 3.530 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000512045279 948299300 /nfs/dbraw/zinc/29/93/00/948299300.db2.gz LPIFIMFAMIZHAQ-QLCZSFMESA-N 2 0 352.469 3.705 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167835594 948300718 /nfs/dbraw/zinc/30/07/18/948300718.db2.gz RRXAUHRPJMJPJN-PKOBYXMFSA-N 2 0 367.578 3.971 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405038 948348396 /nfs/dbraw/zinc/34/83/96/948348396.db2.gz GNGNXRCYINJQOV-LSDHHAIUSA-N 2 0 360.420 3.737 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001167841406 948361041 /nfs/dbraw/zinc/36/10/41/948361041.db2.gz MKVNGXSMGSPZSF-QGZVFWFLSA-N 2 0 365.949 3.608 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841862 948367259 /nfs/dbraw/zinc/36/72/59/948367259.db2.gz SPXAFVIJXIFTLL-MDNUFGMLSA-N 3 0 357.586 3.951 20 0 FHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000512128282 948501278 /nfs/dbraw/zinc/50/12/78/948501278.db2.gz GJODLBLEIYWLOZ-QZTJIDSGSA-N 2 0 353.510 3.543 20 0 FHADRP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)CCO1 ZINC000512132981 948507554 /nfs/dbraw/zinc/50/75/54/948507554.db2.gz WQHOUFNZDDESKS-KRWDZBQOSA-N 2 0 350.462 3.943 20 0 FHADRP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CCN2C2CC2)cc1 ZINC000639108786 948570614 /nfs/dbraw/zinc/57/06/14/948570614.db2.gz KVPDCWWBNATQLW-OFNKIYASSA-N 2 0 353.554 3.819 20 0 FHADRP COc1ccc2oc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000512176061 948656845 /nfs/dbraw/zinc/65/68/45/948656845.db2.gz AYTJPCUBYKVPIB-CALCHBBNSA-N 2 0 372.509 3.763 20 0 FHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000074067348 948708547 /nfs/dbraw/zinc/70/85/47/948708547.db2.gz PZFSSFHVPJKOEM-HXUWFJFHSA-N 2 0 352.482 3.772 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000525787673 948732692 /nfs/dbraw/zinc/73/26/92/948732692.db2.gz PEZKHSXGZBPFQB-UHFFFAOYSA-N 2 0 351.922 3.721 20 0 FHADRP C[C@H]1CC([NH2+]CCc2ccc3c(c2)OCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008165 948734273 /nfs/dbraw/zinc/73/42/73/948734273.db2.gz WEDHYPRGCZKPIT-ROUUACIJSA-N 2 0 366.505 3.989 20 0 FHADRP Cc1ccc(F)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000523977040 948736051 /nfs/dbraw/zinc/73/60/51/948736051.db2.gz RRUAUMHGEXELGV-QFIPXVFZSA-N 2 0 355.501 3.603 20 0 FHADRP COc1ccccc1/C=C/C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187386 948738280 /nfs/dbraw/zinc/73/82/80/948738280.db2.gz QEGILXJCQOMDEQ-ATMNSAGYSA-N 2 0 358.526 3.530 20 0 FHADRP c1ccc2c(c1)ccnc2C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067450759 948753535 /nfs/dbraw/zinc/75/35/35/948753535.db2.gz OOINOPORVGDRMP-UHFFFAOYSA-N 2 0 361.489 3.999 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000067452680 948784679 /nfs/dbraw/zinc/78/46/79/948784679.db2.gz SYLRRIHIKBVAGS-HZPDHXFCSA-N 2 0 374.447 3.607 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000067452852 948791782 /nfs/dbraw/zinc/79/17/82/948791782.db2.gz BRGGIQFONYKAGP-OKILXGFUSA-N 2 0 373.310 3.567 20 0 FHADRP [NH3+]C1(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCCCC1 ZINC000521407319 567870785 /nfs/dbraw/zinc/87/07/85/567870785.db2.gz HYPFYQRVZSXSNS-UHFFFAOYSA-N 2 0 367.497 3.670 20 0 FHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019030 567901595 /nfs/dbraw/zinc/90/15/95/567901595.db2.gz DNPKYRFGSWBTBJ-VXKWHMMOSA-N 2 0 364.489 3.604 20 0 FHADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000521431861 568048495 /nfs/dbraw/zinc/04/84/95/568048495.db2.gz ZUZCEEZVZZSGJB-OAHLLOKOSA-N 2 0 351.922 3.721 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000604418318 568276185 /nfs/dbraw/zinc/27/61/85/568276185.db2.gz QWASNURTQPSYSJ-YJBOKZPZSA-N 2 0 374.447 3.812 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000604412446 568277319 /nfs/dbraw/zinc/27/73/19/568277319.db2.gz FDWAKLOWKCLFAY-QFIPXVFZSA-N 2 0 365.521 3.814 20 0 FHADRP C[N@H+](CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000049973923 568638645 /nfs/dbraw/zinc/63/86/45/568638645.db2.gz ISCGBALOUOFBDX-UHFFFAOYSA-N 2 0 365.521 3.534 20 0 FHADRP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CCC[NH+]3CCCC3)C4)n2)cc1 ZINC000328605413 571323830 /nfs/dbraw/zinc/32/38/30/571323830.db2.gz NINORWSUXFORKD-DENIHFKCSA-N 2 0 366.509 3.576 20 0 FHADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736197998 599337791 /nfs/dbraw/zinc/33/77/91/599337791.db2.gz OXYWQUHDLDCVPE-QZTJIDSGSA-N 2 0 368.529 3.516 20 0 FHADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000824761442 607750233 /nfs/dbraw/zinc/75/02/33/607750233.db2.gz AQSJQFBMTIYCFL-QGZVFWFLSA-N 2 0 368.529 3.516 20 0 FHADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1 ZINC001164417970 718893302 /nfs/dbraw/zinc/89/33/02/718893302.db2.gz MACMJXJFRSENDU-LEWJYISDSA-N 2 0 356.558 3.987 20 0 FHADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4[nH]ccc4c[nH+]2)CC3)cs1 ZINC001164692284 719804784 /nfs/dbraw/zinc/80/47/84/719804784.db2.gz MJJPKGIEWWDCKG-UHFFFAOYSA-N 2 0 367.522 3.963 20 0 FHADRP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1C ZINC001164909885 721728661 /nfs/dbraw/zinc/72/86/61/721728661.db2.gz FKFWBLGZGDISGJ-HXUWFJFHSA-N 2 0 372.463 3.831 20 0 FHADRP CC(C)(C)OC(=O)C1(Nc2ccc([C@H]3CCC[NH2+]3)cc2)CCC([NH3+])CC1 ZINC001167643312 936331643 /nfs/dbraw/zinc/33/16/43/936331643.db2.gz XWZFFEWLHKFLCY-NCYVPVAZSA-N 2 0 359.514 3.505 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000583006573 936361564 /nfs/dbraw/zinc/36/15/64/936361564.db2.gz XTYGQRSDBYQXNU-VQTJNVASSA-N 2 0 350.934 3.752 20 0 FHADRP Clc1ccc(Cc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000579718952 927175396 /nfs/dbraw/zinc/17/53/96/927175396.db2.gz NOKOJAAXOBOESY-IYBDPMFKSA-N 2 0 361.942 3.819 20 0 FHADRP Brc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546183 927423635 /nfs/dbraw/zinc/42/36/35/927423635.db2.gz KBQSWVNGLLYROV-GOEBONIOSA-N 2 0 365.315 3.927 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C5(CCC5)C4)[C@@H]3C2)cc1 ZINC000643547352 927460318 /nfs/dbraw/zinc/46/03/18/927460318.db2.gz DIDOTDPGGIPIGE-CBPXPLCBSA-N 2 0 353.554 3.551 20 0 FHADRP CCc1nn(C)c(CC)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000535943974 937174778 /nfs/dbraw/zinc/17/47/78/937174778.db2.gz ULWPNSREHRUNIK-QUCCMNQESA-N 2 0 368.569 3.935 20 0 FHADRP CCc1nn(C)c(CC)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000535943976 937174575 /nfs/dbraw/zinc/17/45/75/937174575.db2.gz ULWPNSREHRUNIK-UYAOXDASSA-N 2 0 368.569 3.935 20 0 FHADRP c1ccc(CC2CC[NH+](Cc3cccc(CN4CC[NH2+]CC4)c3)CC2)cc1 ZINC001204604125 937206102 /nfs/dbraw/zinc/20/61/02/937206102.db2.gz ATDPCMKYOSSAHW-UHFFFAOYSA-N 2 0 363.549 3.547 20 0 FHADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118779356 927938975 /nfs/dbraw/zinc/93/89/75/927938975.db2.gz NSPQRDOMNXOOKN-IXDOHACOSA-N 2 0 371.525 3.591 20 0 FHADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000583184189 937218139 /nfs/dbraw/zinc/21/81/39/937218139.db2.gz IEKXSCWHVQHQAE-NRFANRHFSA-N 2 0 357.542 3.586 20 0 FHADRP COc1c(Br)cccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000274786635 928300739 /nfs/dbraw/zinc/30/07/39/928300739.db2.gz LNRHRWMBZIQOOZ-GOOCMWNKSA-N 2 0 353.304 3.563 20 0 FHADRP CCN1CC[C@H](NCCC[NH+](CC)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000583207464 937238254 /nfs/dbraw/zinc/23/82/54/937238254.db2.gz QZXDDAMEYCQERC-HKUYNNGSSA-N 2 0 357.464 3.561 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001167078291 928424807 /nfs/dbraw/zinc/42/48/07/928424807.db2.gz PZPIWQHIMRGAHU-UHFFFAOYSA-N 2 0 355.567 3.687 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119225 929380251 /nfs/dbraw/zinc/38/02/51/929380251.db2.gz UDJSIRIIMLTSRF-OFNKIYASSA-N 2 0 351.538 3.700 20 0 FHADRP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159476 929387688 /nfs/dbraw/zinc/38/76/88/929387688.db2.gz UICJOEWHNSBFLQ-RTWAWAEBSA-N 2 0 358.526 3.562 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180233283 929425557 /nfs/dbraw/zinc/42/55/57/929425557.db2.gz HIQBNSPCSAAKCZ-OAQYLSRUSA-N 2 0 365.565 3.682 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440873 929512251 /nfs/dbraw/zinc/51/22/51/929512251.db2.gz VLXYEMYVKVIYPM-ZJSXRUAMSA-N 2 0 365.565 3.948 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180440020 929512514 /nfs/dbraw/zinc/51/25/14/929512514.db2.gz FYDCEKHJQHNVJQ-HXUWFJFHSA-N 2 0 351.538 3.639 20 0 FHADRP Clc1ccccc1Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000683706010 929852890 /nfs/dbraw/zinc/85/28/90/929852890.db2.gz AEPSGMIHWZNBKR-UHFFFAOYSA-N 2 0 358.917 3.549 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CC3 ZINC000123214482 929916842 /nfs/dbraw/zinc/91/68/42/929916842.db2.gz RDNSGEZKXRVZTF-IAGOWNOFSA-N 2 0 355.526 3.744 20 0 FHADRP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371350 930174069 /nfs/dbraw/zinc/17/40/69/930174069.db2.gz JHFVXZFMPVJNSC-XLIONFOSSA-N 2 0 351.485 3.516 20 0 FHADRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000156087911 937393737 /nfs/dbraw/zinc/39/37/37/937393737.db2.gz MOWRXPNQRNTVRK-UHFFFAOYSA-N 2 0 370.463 3.532 20 0 FHADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000126652027 937401637 /nfs/dbraw/zinc/40/16/37/937401637.db2.gz AZLVKNLQWZMKIK-MRXNPFEDSA-N 2 0 372.582 3.612 20 0 FHADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000650277362 930331004 /nfs/dbraw/zinc/33/10/04/930331004.db2.gz BXRLYOFTWBNKHA-UHFFFAOYSA-N 2 0 371.491 3.644 20 0 FHADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000275809206 930394487 /nfs/dbraw/zinc/39/44/87/930394487.db2.gz DTHJOTDQGGNBPX-HXUWFJFHSA-N 2 0 355.530 3.570 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)CC[N@@H+]1C ZINC000558501966 930506023 /nfs/dbraw/zinc/50/60/23/930506023.db2.gz TZHYLGLPWHNHJM-TZMCWYRMSA-N 2 0 350.304 3.545 20 0 FHADRP C[C@H]([NH2+]CCOc1ccc2cc(Br)ccc2c1)[C@H]1CC[NH2+]C1 ZINC000564825594 930682983 /nfs/dbraw/zinc/68/29/83/930682983.db2.gz VNMYCOBIDBSTMS-BBRMVZONSA-N 2 0 363.299 3.569 20 0 FHADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939421 930685990 /nfs/dbraw/zinc/68/59/90/930685990.db2.gz WAMNPSQAVRJHOJ-SOUVJXGZSA-N 2 0 355.979 3.509 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000047978509 930967517 /nfs/dbraw/zinc/96/75/17/930967517.db2.gz ZRXFBHMIOWALOZ-FQEVSTJZSA-N 2 0 362.558 3.604 20 0 FHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000580814346 931197959 /nfs/dbraw/zinc/19/79/59/931197959.db2.gz FKWLZFGZGSSCIE-AWEZNQCLSA-N 2 0 362.315 3.817 20 0 FHADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n2)c1 ZINC000580827826 931234915 /nfs/dbraw/zinc/23/49/15/931234915.db2.gz RNQKTBXTQLLWFL-FGTMMUONSA-N 2 0 374.916 3.833 20 0 FHADRP C[NH+](C)Cc1cc(-c2noc([C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)ccc1F ZINC000580944823 931386119 /nfs/dbraw/zinc/38/61/19/931386119.db2.gz KMSQGZFDZPGJCT-LJQANCHMSA-N 2 0 364.440 3.606 20 0 FHADRP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2CCC[NH+]2CCCCC2)cc1 ZINC000656407904 931597915 /nfs/dbraw/zinc/59/79/15/931597915.db2.gz UQJYNTWNWFZMSF-KIHHCIJBSA-N 2 0 367.581 3.705 20 0 FHADRP COCCNc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155305 931709439 /nfs/dbraw/zinc/70/94/39/931709439.db2.gz RRYNRDDFCYMGHF-KNQAVFIVSA-N 2 0 367.537 3.745 20 0 FHADRP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156446 931719850 /nfs/dbraw/zinc/71/98/50/931719850.db2.gz ZAFNCHNWIQOUHI-TZIWHRDSSA-N 2 0 367.537 3.950 20 0 FHADRP CSC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000581246350 931732833 /nfs/dbraw/zinc/73/28/33/931732833.db2.gz REMWAHKTKZETOG-OAQYLSRUSA-N 2 0 370.562 3.763 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000581257439 931746671 /nfs/dbraw/zinc/74/66/71/931746671.db2.gz VNCLLAHHEYRMCJ-GOSISDBHSA-N 2 0 355.530 3.801 20 0 FHADRP COCC[C@H](Cc1ccco1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548157748 931750006 /nfs/dbraw/zinc/75/00/06/931750006.db2.gz SPHIIXRZLSAPHP-HMXCVIKNSA-N 2 0 356.510 3.727 20 0 FHADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000581305573 931808828 /nfs/dbraw/zinc/80/88/28/931808828.db2.gz OGPWSUUGHJNDAP-QFIPXVFZSA-N 2 0 368.521 3.556 20 0 FHADRP C[NH+](C)CCCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276147774 931879741 /nfs/dbraw/zinc/87/97/41/931879741.db2.gz OLOYEVRFQPZXSX-SFHVURJKSA-N 2 0 369.347 3.848 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578436 931936981 /nfs/dbraw/zinc/93/69/81/931936981.db2.gz PFYRLTRHCWPULL-ZWKOTPCHSA-N 2 0 367.537 3.727 20 0 FHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510417481 931994058 /nfs/dbraw/zinc/99/40/58/931994058.db2.gz VPLCKSUBPSKUIW-GBESFXJTSA-N 2 0 368.521 3.722 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542508 932230928 /nfs/dbraw/zinc/23/09/28/932230928.db2.gz CWGRTDSHPWQICR-LXBDKUERSA-N 2 0 374.488 3.779 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000581596079 932291435 /nfs/dbraw/zinc/29/14/35/932291435.db2.gz RYCGATVQKOQZGU-DENIHFKCSA-N 2 0 371.569 3.586 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)nc1 ZINC000656783301 932410928 /nfs/dbraw/zinc/41/09/28/932410928.db2.gz ORKCQKFRVYISAQ-NRFANRHFSA-N 2 0 365.521 3.872 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782805 932411714 /nfs/dbraw/zinc/41/17/14/932411714.db2.gz JUASMPBHNMYOET-SFHVURJKSA-N 2 0 356.489 3.531 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1OC ZINC000656784445 932419256 /nfs/dbraw/zinc/41/92/56/932419256.db2.gz DFGMGNHQVSOJLU-HNNXBMFYSA-N 2 0 352.906 3.569 20 0 FHADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-c2cnn(C)c2)c1 ZINC000656785703 932419984 /nfs/dbraw/zinc/41/99/84/932419984.db2.gz INMMYXABGWBUSY-LJQANCHMSA-N 2 0 352.526 3.607 20 0 FHADRP c1cc(COc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2)ccn1 ZINC000656785536 932420574 /nfs/dbraw/zinc/42/05/74/932420574.db2.gz LPQHPCSUBOJGEC-JOCHJYFZSA-N 2 0 365.521 3.872 20 0 FHADRP CCOc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656785569 932420680 /nfs/dbraw/zinc/42/06/80/932420680.db2.gz MGIOKCTXJNNMAB-MRXNPFEDSA-N 2 0 368.468 3.898 20 0 FHADRP c1ccc(COc2cccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c2)nc1 ZINC000656785962 932426065 /nfs/dbraw/zinc/42/60/65/932426065.db2.gz OLWCRKRADNXARE-NRFANRHFSA-N 2 0 365.521 3.872 20 0 FHADRP Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@H]2CCOc3ccccc32)cc1F ZINC000656789369 932426507 /nfs/dbraw/zinc/42/65/07/932426507.db2.gz WRQHVOPODWYKRJ-GUXCAODWSA-N 2 0 358.432 3.566 20 0 FHADRP [NH3+][C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000648154260 932444296 /nfs/dbraw/zinc/44/42/96/932444296.db2.gz NSZKSLWIODGEDT-IBGZPJMESA-N 2 0 357.885 3.617 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000581667398 932452491 /nfs/dbraw/zinc/45/24/91/932452491.db2.gz NYARFCMNPDZKED-QGZVFWFLSA-N 2 0 367.493 3.737 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C1 ZINC000155769876 932614445 /nfs/dbraw/zinc/61/44/45/932614445.db2.gz RUKZWNCMLHNXFP-QGZVFWFLSA-N 2 0 365.512 3.738 20 0 FHADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155961891 932644204 /nfs/dbraw/zinc/64/42/04/932644204.db2.gz YCGLPOZPVDSECX-MOPGFXCFSA-N 2 0 361.549 3.543 20 0 FHADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430672181 932854932 /nfs/dbraw/zinc/85/49/32/932854932.db2.gz ZCAFOFRJLSMKBA-GOSISDBHSA-N 2 0 351.494 3.614 20 0 FHADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000581941737 933090161 /nfs/dbraw/zinc/09/01/61/933090161.db2.gz BKVUDVBSMZTHPW-YSIASYRMSA-N 2 0 359.558 3.522 20 0 FHADRP COc1cccc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000430711497 933165547 /nfs/dbraw/zinc/16/55/47/933165547.db2.gz WYQOFQYHQIOUBM-FHWLQOOXSA-N 2 0 360.542 3.968 20 0 FHADRP C[N@H+](CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000548388885 933288934 /nfs/dbraw/zinc/28/89/34/933288934.db2.gz OSDFVNDALNQYHH-FQEVSTJZSA-N 2 0 363.590 3.756 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388765 933292120 /nfs/dbraw/zinc/29/21/20/933292120.db2.gz TUMXTJPSFCXYSV-VQTJNVASSA-N 2 0 363.590 3.754 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956205 933516450 /nfs/dbraw/zinc/51/64/50/933516450.db2.gz MYYSVDONXTYRNT-BDJLRTHQSA-N 2 0 355.345 3.821 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430967559 933527311 /nfs/dbraw/zinc/52/73/11/933527311.db2.gz TWZMHSFAYDJIJO-KRWDZBQOSA-N 2 0 367.493 3.867 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994571 933697550 /nfs/dbraw/zinc/69/75/50/933697550.db2.gz CZKCVLOECHXGCO-PKOBYXMFSA-N 2 0 372.475 3.566 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000548449884 933893885 /nfs/dbraw/zinc/89/38/85/933893885.db2.gz QITAXPYUXQDHLI-QZTJIDSGSA-N 2 0 359.558 3.701 20 0 FHADRP C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000684558542 933899946 /nfs/dbraw/zinc/89/99/46/933899946.db2.gz JTKQWWHJOCIHJJ-ZBEGNZNMSA-N 2 0 364.839 3.712 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000510889392 933972920 /nfs/dbraw/zinc/97/29/20/933972920.db2.gz WQNQCOQDUGDWCB-SJORKVTESA-N 2 0 371.500 3.565 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000132331431 934039423 /nfs/dbraw/zinc/03/94/23/934039423.db2.gz NTZDBSCMKGMYPM-MAUKXSAKSA-N 2 0 357.464 3.628 20 0 FHADRP COc1cccc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000548483589 934133108 /nfs/dbraw/zinc/13/31/08/934133108.db2.gz RBPPDWYWVHXIDN-WIYYLYMNSA-N 2 0 368.521 3.747 20 0 FHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000510948772 934221236 /nfs/dbraw/zinc/22/12/36/934221236.db2.gz IYJJHQKWROWWAH-QFBILLFUSA-N 2 0 374.475 3.642 20 0 FHADRP CC(C)n1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000535677000 934258402 /nfs/dbraw/zinc/25/84/02/934258402.db2.gz TTZTWXDHXATMEA-UHFFFAOYSA-N 2 0 352.526 3.952 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]1c1ccccn1)C1CC[NH+](C)CC1 ZINC000535780876 934370656 /nfs/dbraw/zinc/37/06/56/934370656.db2.gz YFLULBMVQWTFNE-QHCPKHFHSA-N 2 0 364.537 3.949 20 0 FHADRP C[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276998688 934432194 /nfs/dbraw/zinc/43/21/94/934432194.db2.gz YWNSJMJHDROFDM-XHSDSOJGSA-N 2 0 358.486 3.611 20 0 FHADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000535819281 934452229 /nfs/dbraw/zinc/45/22/29/934452229.db2.gz GDNTYXIARGAHPA-OAQYLSRUSA-N 2 0 355.526 3.670 20 0 FHADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610812007 934470940 /nfs/dbraw/zinc/47/09/40/934470940.db2.gz HJCWJUAEVRESGC-MRXNPFEDSA-N 2 0 372.294 3.674 20 0 FHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277087623 934487237 /nfs/dbraw/zinc/48/72/37/934487237.db2.gz GCAFTHCBJWNPMY-QUCCMNQESA-N 2 0 362.583 3.653 20 0 FHADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000610814291 934493949 /nfs/dbraw/zinc/49/39/49/934493949.db2.gz FTAUHMZZNWBOBT-CJNGLKHVSA-N 2 0 372.294 3.674 20 0 FHADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000684614394 934556667 /nfs/dbraw/zinc/55/66/67/934556667.db2.gz WQHSUCPRVBJMAW-UHFFFAOYSA-N 2 0 358.357 3.542 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000236636631 934755768 /nfs/dbraw/zinc/75/57/68/934755768.db2.gz PRJLYZVMMRXZLX-GOSISDBHSA-N 2 0 357.542 3.883 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000236636774 934755843 /nfs/dbraw/zinc/75/58/43/934755843.db2.gz IQPZVVQJSPAUNT-ICSRJNTNSA-N 2 0 357.542 3.883 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000236636751 934755870 /nfs/dbraw/zinc/75/58/70/934755870.db2.gz IQPZVVQJSPAUNT-AZUAARDMSA-N 2 0 357.542 3.883 20 0 FHADRP Cc1ncsc1C[N@@H+]1CCCC2(CC[NH+](Cc3ccns3)CC2)C1 ZINC001279556570 934813580 /nfs/dbraw/zinc/81/35/80/934813580.db2.gz QQPAGLDNJQJXLX-UHFFFAOYSA-N 2 0 362.568 3.786 20 0 FHADRP C[C@@H]([NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000154006780 934832024 /nfs/dbraw/zinc/83/20/24/934832024.db2.gz JXOVXXAXQIAWTE-VGSWGCGISA-N 2 0 362.521 3.983 20 0 FHADRP Cc1ccc2[nH]c(C[NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)cc2c1C ZINC000472069524 934942622 /nfs/dbraw/zinc/94/26/22/934942622.db2.gz VFROQYSEIVAAPO-UHFFFAOYSA-N 2 0 368.569 3.825 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000511024748 934942847 /nfs/dbraw/zinc/94/28/47/934942847.db2.gz GCRLTYLSJMXFGU-UHFFFAOYSA-N 2 0 371.569 3.863 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000431325504 935053007 /nfs/dbraw/zinc/05/30/07/935053007.db2.gz HMMIPXFCTUNKBD-YADHBBJMSA-N 2 0 373.585 3.885 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657308430 935076110 /nfs/dbraw/zinc/07/61/10/935076110.db2.gz SEZWWVHXWAWAEL-QHCPKHFHSA-N 2 0 368.521 3.984 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000657309415 935087067 /nfs/dbraw/zinc/08/70/67/935087067.db2.gz CGDLALVPKZMOEY-KRWDZBQOSA-N 2 0 352.526 3.962 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)C1 ZINC000657311140 935090606 /nfs/dbraw/zinc/09/06/06/935090606.db2.gz UFXXTBZNBMUBNG-GOSISDBHSA-N 2 0 352.526 3.815 20 0 FHADRP COc1ccsc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000472128070 935101321 /nfs/dbraw/zinc/10/13/21/935101321.db2.gz LWGQNILKFWCFOC-HKUYNNGSSA-N 2 0 373.566 3.786 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000582089836 935239398 /nfs/dbraw/zinc/23/93/98/935239398.db2.gz YZAYACUSUWSCTO-DLBZAZTESA-N 2 0 371.491 3.672 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657348384 935313422 /nfs/dbraw/zinc/31/34/22/935313422.db2.gz UGNIHBYSDBKPJJ-QFIPXVFZSA-N 2 0 354.494 3.596 20 0 FHADRP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)[nH]c2c1 ZINC000657350644 935315412 /nfs/dbraw/zinc/31/54/12/935315412.db2.gz VOBXHVWXPAGBHC-UHFFFAOYSA-N 2 0 363.505 3.723 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582140535 935325083 /nfs/dbraw/zinc/32/50/83/935325083.db2.gz UWKPPBARSXMUJZ-YQVWRLOYSA-N 2 0 353.514 3.571 20 0 FHADRP CCOc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000161185656 935422076 /nfs/dbraw/zinc/42/20/76/935422076.db2.gz IKYACUVVKQIOKQ-GOSISDBHSA-N 2 0 368.521 3.893 20 0 FHADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)CC[N@H+](C)C3CCCCC3)cccc21 ZINC000548720588 935481823 /nfs/dbraw/zinc/48/18/23/935481823.db2.gz LVULOZVUIUYDCA-LJQANCHMSA-N 2 0 359.514 3.665 20 0 FHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000647248823 935561563 /nfs/dbraw/zinc/56/15/63/935561563.db2.gz INHNIKLPJGQZBV-QVGHQYEOSA-N 2 0 363.549 3.757 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000158158752 935598007 /nfs/dbraw/zinc/59/80/07/935598007.db2.gz FZTCRERYEXMPPY-GOSISDBHSA-N 2 0 359.514 3.806 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)CC1 ZINC000657415743 935635553 /nfs/dbraw/zinc/63/55/53/935635553.db2.gz MPSHECVYGILUTO-YDPRHXJPSA-N 2 0 372.553 3.987 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415630 935640190 /nfs/dbraw/zinc/64/01/90/935640190.db2.gz NEHVJALQWJXMDB-IEBWSBKVSA-N 2 0 352.526 3.688 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000511119067 935669390 /nfs/dbraw/zinc/66/93/90/935669390.db2.gz GXLCWJJOHGCMTL-UHFFFAOYSA-N 2 0 357.542 3.523 20 0 FHADRP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)cc21 ZINC000657428747 935703399 /nfs/dbraw/zinc/70/33/99/935703399.db2.gz AWPZQXGMGWXSKG-OAQYLSRUSA-N 2 0 363.505 3.723 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000237153058 935796928 /nfs/dbraw/zinc/79/69/28/935796928.db2.gz UYNYFAZCVRYFHH-UHFFFAOYSA-N 2 0 365.521 3.840 20 0 FHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159140266 935801747 /nfs/dbraw/zinc/80/17/47/935801747.db2.gz LYERYGQBSACHPR-OAHLLOKOSA-N 2 0 373.570 3.573 20 0 FHADRP CCc1nc2cc(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)ccc2n1C1CC1 ZINC000657462687 935823206 /nfs/dbraw/zinc/82/32/06/935823206.db2.gz FVPCVHKYADNCSX-UHFFFAOYSA-N 2 0 372.476 3.804 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000516678840 945127185 /nfs/dbraw/zinc/12/71/85/945127185.db2.gz FLJSIWAWDXRNOH-TXQCQQFXSA-N 2 0 369.475 3.724 20 0 FHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000582635768 935895041 /nfs/dbraw/zinc/89/50/41/935895041.db2.gz CENHDYVWPYQLOF-JKSUJKDBSA-N 2 0 366.571 3.613 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955162 935897976 /nfs/dbraw/zinc/89/79/76/935897976.db2.gz IMHCRVXLKCBJDQ-OXQOHEQNSA-N 2 0 368.500 3.701 20 0 FHADRP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684967862 935915820 /nfs/dbraw/zinc/91/58/20/935915820.db2.gz ROTCUMDQYGMDEU-QFIPXVFZSA-N 2 0 368.525 3.622 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237348389 935954849 /nfs/dbraw/zinc/95/48/49/935954849.db2.gz XJVDDKXTRQVJHA-XMSQKQJNSA-N 2 0 365.521 3.767 20 0 FHADRP c1ccc2c(CC[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)noc2c1 ZINC000657534010 935970209 /nfs/dbraw/zinc/97/02/09/935970209.db2.gz NTOFQBQKGXZMRF-UHFFFAOYSA-N 2 0 365.477 3.635 20 0 FHADRP c1sc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nc1-c1ccccc1 ZINC000657535102 935972392 /nfs/dbraw/zinc/97/23/92/935972392.db2.gz DIBHOZWAFYRRLQ-UHFFFAOYSA-N 2 0 371.550 3.791 20 0 FHADRP COCc1ccccc1/C=C(/C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537330 935975956 /nfs/dbraw/zinc/97/59/56/935975956.db2.gz HWGUDSNPHLXQDK-CYVLTUHYSA-N 2 0 372.553 3.717 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237427343 936003773 /nfs/dbraw/zinc/00/37/73/936003773.db2.gz FXVCJVKJMRNKLZ-NJNPRVFISA-N 2 0 365.521 3.664 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597226 936072963 /nfs/dbraw/zinc/07/29/63/936072963.db2.gz RBEFFKREFSPOPK-UXHICEINSA-N 2 0 370.924 3.554 20 0 FHADRP Cc1cc2cc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)oc2cc1C ZINC000657594648 936074645 /nfs/dbraw/zinc/07/46/45/936074645.db2.gz JSFAYCDMMOQKBL-OAQYLSRUSA-N 2 0 364.489 3.906 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237475679 936074765 /nfs/dbraw/zinc/07/47/65/936074765.db2.gz URIJDAVWTNCGSG-XQBPLPMBSA-N 2 0 371.569 3.561 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000237475650 936074803 /nfs/dbraw/zinc/07/48/03/936074803.db2.gz BZJDEHLTROZXLF-MOPGFXCFSA-N 2 0 371.569 3.561 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000657594916 936075602 /nfs/dbraw/zinc/07/56/02/936075602.db2.gz KZXFAPILIUMUBV-SFHVURJKSA-N 2 0 365.304 3.850 20 0 FHADRP CCc1ccc(CC)c(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000438855743 945144435 /nfs/dbraw/zinc/14/44/35/945144435.db2.gz KELNACMDZXUHPH-FQEVSTJZSA-N 2 0 374.573 3.691 20 0 FHADRP C[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC[NH2+]CC1 ZINC000237491221 936089302 /nfs/dbraw/zinc/08/93/02/936089302.db2.gz WXMJSFKCIFIYQS-IBGZPJMESA-N 2 0 371.569 3.705 20 0 FHADRP CC(C)CCn1cccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611982 936092235 /nfs/dbraw/zinc/09/22/35/936092235.db2.gz HGQLAUSGRGWDSW-UHFFFAOYSA-N 2 0 354.542 3.931 20 0 FHADRP Brc1ccc(CC2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000657660773 936182316 /nfs/dbraw/zinc/18/23/16/936182316.db2.gz RBWHIUAZIGRKJY-QZTJIDSGSA-N 2 0 363.343 3.988 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237675783 936198892 /nfs/dbraw/zinc/19/88/92/936198892.db2.gz XGEUHBSTGXTENT-LAUBAEHRSA-N 2 0 351.494 3.947 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237707948 936219305 /nfs/dbraw/zinc/21/93/05/936219305.db2.gz FIGOZKOHLJTZMU-ROUUACIJSA-N 2 0 365.521 3.553 20 0 FHADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000120935157 936272799 /nfs/dbraw/zinc/27/27/99/936272799.db2.gz PCTBTDFVLMCGHK-GJZGRUSLSA-N 2 0 371.447 3.744 20 0 FHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000078804621 936280440 /nfs/dbraw/zinc/28/04/40/936280440.db2.gz SHHCICOBXWMTBH-JXFKEZNVSA-N 2 0 368.949 3.583 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000150983718 938250875 /nfs/dbraw/zinc/25/08/75/938250875.db2.gz JSUGRZJLAOYCKX-GOSISDBHSA-N 2 0 367.990 3.883 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706212 938285188 /nfs/dbraw/zinc/28/51/88/938285188.db2.gz GNJPHGKZEINCFW-LZQZEXGQSA-N 2 0 359.901 3.607 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706256 938285424 /nfs/dbraw/zinc/28/54/24/938285424.db2.gz HFWVMPCEOOAJFP-IIAWOOMASA-N 2 0 363.552 3.590 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707430 938289520 /nfs/dbraw/zinc/28/95/20/938289520.db2.gz GCWUBKWUFUJZQN-CLCXKQKWSA-N 2 0 354.897 3.630 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000472291116 938293915 /nfs/dbraw/zinc/29/39/15/938293915.db2.gz JCVPWJFOVVPNEB-NRFANRHFSA-N 2 0 369.509 3.807 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000650719417 938307654 /nfs/dbraw/zinc/30/76/54/938307654.db2.gz PKBVEABVKVZSHK-UHFFFAOYSA-N 2 0 370.447 3.777 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647299426 938307924 /nfs/dbraw/zinc/30/79/24/938307924.db2.gz GJIZDGCCBSMKTC-PKTZIBPZSA-N 2 0 367.537 3.915 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722887 938310138 /nfs/dbraw/zinc/31/01/38/938310138.db2.gz DBAUOHCGGWOVBH-LZQZEXGQSA-N 2 0 359.901 3.749 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000650723473 938310691 /nfs/dbraw/zinc/31/06/91/938310691.db2.gz OPNHVWCJNLPBAL-KMFMINBZSA-N 2 0 374.859 3.802 20 0 FHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)s2)cc1 ZINC000650723509 938310822 /nfs/dbraw/zinc/31/08/22/938310822.db2.gz PKYMAFWAPGPWPN-SXLOBPIMSA-N 2 0 371.550 3.979 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000728570453 938316810 /nfs/dbraw/zinc/31/68/10/938316810.db2.gz LKPCIGLLPGNEJB-UHFFFAOYSA-N 2 0 368.521 3.836 20 0 FHADRP CCc1cc2c(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc(=O)oc2cc1O ZINC000728572178 938332424 /nfs/dbraw/zinc/33/24/24/938332424.db2.gz UJXJZYIHZAZKFM-UHFFFAOYSA-N 2 0 372.509 3.613 20 0 FHADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657778522 938337542 /nfs/dbraw/zinc/33/75/42/938337542.db2.gz QPEGMBAIMNILMP-SQNIBIBYSA-N 2 0 351.332 3.987 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CCC2(C[NH3+])CC2)c2ccc(OC)cc2)cc1 ZINC000650746201 938373062 /nfs/dbraw/zinc/37/30/62/938373062.db2.gz XYJWNMLBVQHRPD-OAQYLSRUSA-N 2 0 354.494 3.706 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650752184 938395547 /nfs/dbraw/zinc/39/55/47/938395547.db2.gz LGCQAVBEKTUIRK-CQSZACIVSA-N 2 0 358.461 3.665 20 0 FHADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)N2 ZINC000650759955 938432574 /nfs/dbraw/zinc/43/25/74/938432574.db2.gz UPUREZGQHMZLAG-RZFNWQHOSA-N 2 0 363.505 3.649 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000564527745 938433905 /nfs/dbraw/zinc/43/39/05/938433905.db2.gz DPFJBONZRCBMQT-UHFFFAOYSA-N 2 0 350.865 3.752 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1)CC1CC1 ZINC000536139343 938438218 /nfs/dbraw/zinc/43/82/18/938438218.db2.gz DFETYOCNYQNUHJ-UHFFFAOYSA-N 2 0 367.541 3.601 20 0 FHADRP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000564731442 938445626 /nfs/dbraw/zinc/44/56/26/938445626.db2.gz IBIPARBCAJIGCN-FQEVSTJZSA-N 2 0 358.913 3.895 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)c1cccc(Br)c1 ZINC000583899397 938473414 /nfs/dbraw/zinc/47/34/14/938473414.db2.gz NPJAJXBPZBYTSA-UWWQBHOKSA-N 2 0 351.332 3.969 20 0 FHADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000583920765 938487411 /nfs/dbraw/zinc/48/74/11/938487411.db2.gz GGSZBFPLQOUSAF-PMXSJFBMSA-N 2 0 369.578 3.818 20 0 FHADRP CC[C@@H](CC(F)F)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538312 945179803 /nfs/dbraw/zinc/17/98/03/945179803.db2.gz ONQHWDZIOAATIQ-ICSRJNTNSA-N 2 0 365.512 3.560 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000657812971 938525672 /nfs/dbraw/zinc/52/56/72/938525672.db2.gz YCFVOZIUPALGGW-UHFFFAOYSA-N 2 0 367.331 3.669 20 0 FHADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000584026507 938556785 /nfs/dbraw/zinc/55/67/85/938556785.db2.gz OILIZBWBEVYJKJ-MOPGFXCFSA-N 2 0 374.573 3.632 20 0 FHADRP COc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)ccc2c1 ZINC000133148278 938562452 /nfs/dbraw/zinc/56/24/52/938562452.db2.gz WFUKEMGXFLKLNM-QZTJIDSGSA-N 2 0 368.521 4.000 20 0 FHADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)CC1 ZINC000584080453 938588277 /nfs/dbraw/zinc/58/82/77/938588277.db2.gz DIMDETDMYUPFIF-UHFFFAOYSA-N 2 0 369.578 3.875 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657835850 938641433 /nfs/dbraw/zinc/64/14/33/938641433.db2.gz OYCSGTYTDZAIGR-FQEVSTJZSA-N 2 0 357.586 3.504 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000657837165 938669388 /nfs/dbraw/zinc/66/93/88/938669388.db2.gz QXZVYBMTZHIBHC-WMZHIEFXSA-N 2 0 374.569 3.982 20 0 FHADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000584307409 938679544 /nfs/dbraw/zinc/67/95/44/938679544.db2.gz JDZQKAVYDQZXSS-QAPCUYQASA-N 2 0 373.463 3.652 20 0 FHADRP Cn1cnc2cc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)ccc21 ZINC000584323268 938686815 /nfs/dbraw/zinc/68/68/15/938686815.db2.gz GLBRIUHNRZSIQB-LEWJYISDSA-N 2 0 360.505 3.527 20 0 FHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000081365881 938785392 /nfs/dbraw/zinc/78/53/92/938785392.db2.gz RWTLUQZLIFKXRD-OAQYLSRUSA-N 2 0 364.493 3.916 20 0 FHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000081631905 938800029 /nfs/dbraw/zinc/80/00/29/938800029.db2.gz NKNLTNQRPFZDHB-IBGZPJMESA-N 2 0 365.521 3.832 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2)n1 ZINC000081633726 938800084 /nfs/dbraw/zinc/80/00/84/938800084.db2.gz ARGAYZSXPPFSJA-OAQYLSRUSA-N 2 0 352.526 3.653 20 0 FHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151874104 938808221 /nfs/dbraw/zinc/80/82/21/938808221.db2.gz RBNZRXZBOJNMKW-KRWDZBQOSA-N 2 0 356.963 3.505 20 0 FHADRP C[C@H]([NH3+])CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000584410007 938828920 /nfs/dbraw/zinc/82/89/20/938828920.db2.gz RUUQNNVWRUBDHW-SFHVURJKSA-N 2 0 365.521 3.693 20 0 FHADRP Cn1c(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc2cc(F)ccc21 ZINC000090044076 938868078 /nfs/dbraw/zinc/86/80/78/938868078.db2.gz LOAQWJSTYBUHMV-UHFFFAOYSA-N 2 0 358.505 3.642 20 0 FHADRP COc1ccccc1[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000091285098 938899267 /nfs/dbraw/zinc/89/92/67/938899267.db2.gz JFTYZFREVOWTRN-QFIPXVFZSA-N 2 0 359.558 3.544 20 0 FHADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092766502 938921525 /nfs/dbraw/zinc/92/15/25/938921525.db2.gz MUTDVIWOCIKWSV-GOSISDBHSA-N 2 0 371.500 3.943 20 0 FHADRP C[C@H]([NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657869411 938938282 /nfs/dbraw/zinc/93/82/82/938938282.db2.gz WACGLWQSSDONBP-JXFKEZNVSA-N 2 0 374.479 3.659 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000657870015 938944280 /nfs/dbraw/zinc/94/42/80/938944280.db2.gz BWVQRWLDLIJXNT-HSZRJFAPSA-N 2 0 374.569 3.840 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000519226296 945218204 /nfs/dbraw/zinc/21/82/04/945218204.db2.gz YIZSBMAFSVQCRF-GOSISDBHSA-N 2 0 351.579 3.515 20 0 FHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)F)nc1 ZINC000657872853 938959440 /nfs/dbraw/zinc/95/94/40/938959440.db2.gz POPLSZXMTONQEW-HNNXBMFYSA-N 2 0 363.452 3.853 20 0 FHADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000668740971 938976424 /nfs/dbraw/zinc/97/64/24/938976424.db2.gz YSPXBAJPIHVERT-LJQANCHMSA-N 2 0 370.459 3.559 20 0 FHADRP C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457628 938987814 /nfs/dbraw/zinc/98/78/14/938987814.db2.gz HKFVPWMMNJJCRM-SFHVURJKSA-N 2 0 356.341 3.594 20 0 FHADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458546 938988033 /nfs/dbraw/zinc/98/80/33/938988033.db2.gz ZNPPDBNKFUXUIM-HXUWFJFHSA-N 2 0 359.602 3.732 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685463141 938988702 /nfs/dbraw/zinc/98/87/02/938988702.db2.gz PDUMPWTZHPNWBA-IBGZPJMESA-N 2 0 370.516 3.792 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000685464195 938988851 /nfs/dbraw/zinc/98/88/51/938988851.db2.gz DJWWQWHBGAHNII-FCHUYYIVSA-N 2 0 372.553 3.800 20 0 FHADRP CC(C)(O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000382313940 938997644 /nfs/dbraw/zinc/99/76/44/938997644.db2.gz OVQCLONSZORNOR-NRFANRHFSA-N 2 0 352.522 3.916 20 0 FHADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCCCC2 ZINC000658067616 939021599 /nfs/dbraw/zinc/02/15/99/939021599.db2.gz OFDUPNIKFLCWIZ-RTWAWAEBSA-N 2 0 364.574 3.595 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000658068671 939021694 /nfs/dbraw/zinc/02/16/94/939021694.db2.gz HGMLDZRHGOYFIY-ZDUSSCGKSA-N 2 0 356.432 3.646 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(C(F)F)nc1 ZINC000658069535 939021813 /nfs/dbraw/zinc/02/18/13/939021813.db2.gz GVUNWLPXMBMQOO-AWEZNQCLSA-N 2 0 353.457 3.561 20 0 FHADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116635 939025362 /nfs/dbraw/zinc/02/53/62/939025362.db2.gz WOVSAUXQRWXOLW-SXLOBPIMSA-N 2 0 368.606 3.821 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1csc(Cl)c1 ZINC000658134726 939030190 /nfs/dbraw/zinc/03/01/90/939030190.db2.gz BQTJEZXXHHVPIU-CXAGYDPISA-N 2 0 350.915 3.819 20 0 FHADRP CC1(C)C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658136508 939031209 /nfs/dbraw/zinc/03/12/09/939031209.db2.gz DHIHTAPXIFMGEA-KNQAVFIVSA-N 2 0 350.506 3.765 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143142 939036161 /nfs/dbraw/zinc/03/61/61/939036161.db2.gz WXWHGARUWNQLIW-UWJYYQICSA-N 2 0 361.489 3.652 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137834 939040643 /nfs/dbraw/zinc/04/06/43/939040643.db2.gz IMUZXFQVSQXJDK-QUCCMNQESA-N 2 0 372.509 3.719 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138844 939041316 /nfs/dbraw/zinc/04/13/16/939041316.db2.gz OOICFGUOBJSCFK-CTNGQTDRSA-N 2 0 356.897 3.684 20 0 FHADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138651 939041817 /nfs/dbraw/zinc/04/18/17/939041817.db2.gz OELANUVPGJKZSK-UTKZUKDTSA-N 2 0 364.489 3.720 20 0 FHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138360 939042370 /nfs/dbraw/zinc/04/23/70/939042370.db2.gz JIBHULKIQFDNBH-IRLDBZIGSA-N 2 0 366.505 3.565 20 0 FHADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163741 939052378 /nfs/dbraw/zinc/05/23/78/939052378.db2.gz AKPWVBMKNZVPRE-JOCHJYFZSA-N 2 0 350.510 3.830 20 0 FHADRP Oc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000658165298 939053207 /nfs/dbraw/zinc/05/32/07/939053207.db2.gz IIDMPARBQZRTRF-JOCHJYFZSA-N 2 0 351.494 3.666 20 0 FHADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168072 939054388 /nfs/dbraw/zinc/05/43/88/939054388.db2.gz VJGYCSYXZJVRNP-NRFANRHFSA-N 2 0 351.494 3.666 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000658167314 939055136 /nfs/dbraw/zinc/05/51/36/939055136.db2.gz RMXGUAVWYMOUOZ-INIZCTEOSA-N 2 0 357.473 3.792 20 0 FHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168814 939055355 /nfs/dbraw/zinc/05/53/55/939055355.db2.gz ZHRCASFBGJEWOT-OAQYLSRUSA-N 2 0 369.484 3.718 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000658167278 939055462 /nfs/dbraw/zinc/05/54/62/939055462.db2.gz RJSHLEDREDEVFR-QGZVFWFLSA-N 2 0 369.509 3.662 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccc(F)cc1 ZINC000414968409 945223992 /nfs/dbraw/zinc/22/39/92/945223992.db2.gz IAHZWMPPHVGWAJ-NRFANRHFSA-N 2 0 372.484 3.891 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(Br)ccc1C ZINC000438921356 945225241 /nfs/dbraw/zinc/22/52/41/945225241.db2.gz VGPGOAHRBOPXGX-UHFFFAOYSA-N 2 0 371.282 3.936 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658235953 939077941 /nfs/dbraw/zinc/07/79/41/939077941.db2.gz QIAFUSROKGURQS-YKWDRNOUSA-N 2 0 358.574 3.764 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237700 939078878 /nfs/dbraw/zinc/07/88/78/939078878.db2.gz YXSOHXRLQMDMMK-CMCXCUNFSA-N 2 0 358.574 3.764 20 0 FHADRP CCC[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320154 939110410 /nfs/dbraw/zinc/11/04/10/939110410.db2.gz OJFMTJKFQORLIX-OAQYLSRUSA-N 2 0 355.570 3.753 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319727 939110753 /nfs/dbraw/zinc/11/07/53/939110753.db2.gz HJCWHZQCMWOAHE-SIKLNZKXSA-N 3 0 355.570 3.609 20 0 FHADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319440 939111182 /nfs/dbraw/zinc/11/11/82/939111182.db2.gz AWBXWBOIGIYVEY-CTNGQTDRSA-N 2 0 364.537 3.689 20 0 FHADRP CC[N@@H+]1CC[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@@H](C)C1 ZINC000658319479 939111280 /nfs/dbraw/zinc/11/12/80/939111280.db2.gz CDJCTIMHOLKLDK-BVSLBCMMSA-N 2 0 355.570 3.609 20 0 FHADRP COCC1(C[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)CC[NH2+]CC1 ZINC000414968312 945228364 /nfs/dbraw/zinc/22/83/64/945228364.db2.gz FAMIHOUVKQJOQS-UHFFFAOYSA-N 2 0 368.521 3.680 20 0 FHADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356801 939125446 /nfs/dbraw/zinc/12/54/46/939125446.db2.gz PNDVLBLFKFAVEV-FQEVSTJZSA-N 2 0 360.542 3.737 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000507428088 945229408 /nfs/dbraw/zinc/22/94/08/945229408.db2.gz JEXRDAPWTRIEHE-AWEZNQCLSA-N 2 0 361.921 3.612 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686507 939136616 /nfs/dbraw/zinc/13/66/16/939136616.db2.gz RIXAVWOCMAEULS-URXFXBBRSA-N 2 0 371.613 3.993 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000519236177 945241095 /nfs/dbraw/zinc/24/10/95/945241095.db2.gz MOXCAXDWTXKDCA-AWEZNQCLSA-N 2 0 367.335 3.697 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000519236178 945241361 /nfs/dbraw/zinc/24/13/61/945241361.db2.gz MOXCAXDWTXKDCA-CQSZACIVSA-N 2 0 367.335 3.697 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc3n[nH]c(C)c3c2)CC1)CC(C)C ZINC000518258464 945261909 /nfs/dbraw/zinc/26/19/09/945261909.db2.gz IWBYZQRHKYAFEU-UHFFFAOYSA-N 2 0 357.546 3.846 20 0 FHADRP COc1cc2c(c(C[NH2+]CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000518266172 945268739 /nfs/dbraw/zinc/26/87/39/945268739.db2.gz OLIORRCDEPWJCP-KURKYZTESA-N 2 0 360.542 3.866 20 0 FHADRP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507487529 945274763 /nfs/dbraw/zinc/27/47/63/945274763.db2.gz RIRRBEAABZPHKY-HSALFYBXSA-N 2 0 358.526 3.609 20 0 FHADRP FC(F)Oc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506040430 945280656 /nfs/dbraw/zinc/28/06/56/945280656.db2.gz BGBREMOQGYFGCF-UHFFFAOYSA-N 2 0 368.468 3.612 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375860420 939982605 /nfs/dbraw/zinc/98/26/05/939982605.db2.gz ICVQWOWINOCMNI-HXUWFJFHSA-N 2 0 350.466 3.802 20 0 FHADRP COCC1(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000414973641 945288261 /nfs/dbraw/zinc/28/82/61/945288261.db2.gz LGSCGBZONDNHLG-UHFFFAOYSA-N 2 0 374.475 3.703 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220843 940032336 /nfs/dbraw/zinc/03/23/36/940032336.db2.gz FSBTWFRJDWXLLR-QZTJIDSGSA-N 2 0 367.578 3.734 20 0 FHADRP c1csc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986230 945296384 /nfs/dbraw/zinc/29/63/84/945296384.db2.gz BEPOAIWFXXTPMJ-JUJYPNOZSA-N 2 0 371.594 3.517 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058830 940467625 /nfs/dbraw/zinc/46/76/25/940467625.db2.gz HWXLDDURBBSGDK-FPOVZHCZSA-N 2 0 363.977 3.983 20 0 FHADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1C[C@@H]1C ZINC000414062279 940470303 /nfs/dbraw/zinc/47/03/03/940470303.db2.gz BKMDWHJUCWPXAM-HSQYWUDLSA-N 2 0 360.542 3.700 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431752235 940470799 /nfs/dbraw/zinc/47/07/99/940470799.db2.gz RRLDPMFEMKKXBC-QFIPXVFZSA-N 2 0 371.569 3.940 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000431759678 940476471 /nfs/dbraw/zinc/47/64/71/940476471.db2.gz UXDDWRSPCLOMLV-QFIPXVFZSA-N 2 0 367.537 3.838 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776924 940493419 /nfs/dbraw/zinc/49/34/19/940493419.db2.gz UZTRKBQNNDZHHB-LEWJYISDSA-N 2 0 357.542 3.513 20 0 FHADRP Cc1ccc([C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000431777750 940494377 /nfs/dbraw/zinc/49/43/77/940494377.db2.gz CBNKSVMGNKCUBR-UXHICEINSA-N 2 0 369.509 3.534 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1 ZINC000652137315 945326162 /nfs/dbraw/zinc/32/61/62/945326162.db2.gz GWSYVAYMCYCNGL-NRFANRHFSA-N 2 0 370.516 3.850 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100862 940504403 /nfs/dbraw/zinc/50/44/03/940504403.db2.gz LOMQGKLAEWISNF-CMKODMSKSA-N 2 0 352.526 3.781 20 0 FHADRP CC(=O)c1ccccc1OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613421481 940695406 /nfs/dbraw/zinc/69/54/06/940695406.db2.gz SYGNBXBWIHZDHS-UHFFFAOYSA-N 2 0 358.526 3.856 20 0 FHADRP CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000174819836 940780077 /nfs/dbraw/zinc/78/00/77/940780077.db2.gz JDXMNETVMMGDRP-LJQANCHMSA-N 2 0 360.546 3.519 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000414257825 940846799 /nfs/dbraw/zinc/84/67/99/940846799.db2.gz FTARPXVFJPVNBG-UHFFFAOYSA-N 2 0 352.457 3.671 20 0 FHADRP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290869 940901071 /nfs/dbraw/zinc/90/10/71/940901071.db2.gz NYDWXHBDISVRHW-SNJCGAMXSA-N 2 0 368.496 3.687 20 0 FHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000660657226 945358743 /nfs/dbraw/zinc/35/87/43/945358743.db2.gz OQNDTRUKFRLGPK-GOSISDBHSA-N 2 0 370.324 3.740 20 0 FHADRP OC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294331 940908463 /nfs/dbraw/zinc/90/84/63/940908463.db2.gz BYZKRHZGXUXXGK-XZOQPEGZSA-N 2 0 364.533 3.939 20 0 FHADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414298962 940918392 /nfs/dbraw/zinc/91/83/92/940918392.db2.gz HPKOWFKTWDYMQN-QFIPXVFZSA-N 2 0 350.506 3.599 20 0 FHADRP OC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414306452 940929623 /nfs/dbraw/zinc/92/96/23/940929623.db2.gz OFDOLVHLHSKKCN-QFIPXVFZSA-N 2 0 368.496 3.820 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000414312449 940949224 /nfs/dbraw/zinc/94/92/24/940949224.db2.gz WJLMYOLSSRYVMK-WOJBJXKFSA-N 2 0 352.522 3.795 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029875 940949539 /nfs/dbraw/zinc/94/95/39/940949539.db2.gz IWKAOOVWHUWCJQ-MLGOLLRUSA-N 2 0 350.304 3.580 20 0 FHADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414312508 940949601 /nfs/dbraw/zinc/94/96/01/940949601.db2.gz WQBYJRFKNCCXCN-AVRDEDQJSA-N 2 0 350.506 3.537 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414320010 940964203 /nfs/dbraw/zinc/96/42/03/940964203.db2.gz AWEHCAALGRIZIY-IBGZPJMESA-N 2 0 371.550 3.686 20 0 FHADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336474 940994618 /nfs/dbraw/zinc/99/46/18/940994618.db2.gz ZKWAKXCANYGPQA-WEYGHZABSA-N 2 0 371.569 3.688 20 0 FHADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336483 940994633 /nfs/dbraw/zinc/99/46/33/940994633.db2.gz ZKWAKXCANYGPQA-ZNLUXHQJSA-N 2 0 371.569 3.688 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H](C)C1 ZINC000414343801 941009167 /nfs/dbraw/zinc/00/91/67/941009167.db2.gz RBQRLBHKLLFCJL-XODARUQUSA-N 2 0 360.542 3.525 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543828 941065736 /nfs/dbraw/zinc/06/57/36/941065736.db2.gz SOKAPLKXPHCHDV-SFTDATJTSA-N 2 0 365.521 3.872 20 0 FHADRP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000647549105 941070699 /nfs/dbraw/zinc/07/06/99/941070699.db2.gz ITLSHNFJNAGFPN-SFHLNBCPSA-N 2 0 354.469 3.882 20 0 FHADRP C[C@H](CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000187077678 941077542 /nfs/dbraw/zinc/07/75/42/941077542.db2.gz UJXBNVXRECHEKV-QRVBRYPASA-N 2 0 363.977 3.934 20 0 FHADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000659283762 941146525 /nfs/dbraw/zinc/14/65/25/941146525.db2.gz BYZBMBIZAWNKCZ-QFIPXVFZSA-N 2 0 363.505 3.888 20 0 FHADRP [NH3+]C[C@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccc2ccccc2c1 ZINC000659308501 941157168 /nfs/dbraw/zinc/15/71/68/941157168.db2.gz UOCCSDGBXDMHRP-GMAHTHKFSA-N 2 0 373.500 3.648 20 0 FHADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1CCOCC1 ZINC000188005767 941248702 /nfs/dbraw/zinc/24/87/02/941248702.db2.gz QFDASTOGZOJWLJ-QFIPXVFZSA-N 2 0 360.542 3.594 20 0 FHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636153 941369891 /nfs/dbraw/zinc/36/98/91/941369891.db2.gz DXKBHXPUJUDVHK-SFHLNBCPSA-N 2 0 361.599 3.515 20 0 FHADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414857408 941487797 /nfs/dbraw/zinc/48/77/97/941487797.db2.gz PKOLQRPFEKVDJL-APWZRJJASA-N 2 0 372.484 3.891 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000189016380 941535348 /nfs/dbraw/zinc/53/53/48/941535348.db2.gz LKSPXDPWCPLNEA-IQWMQGJTSA-N 2 0 355.570 3.672 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415019833 941545126 /nfs/dbraw/zinc/54/51/26/941545126.db2.gz WOAOCSRXDBYFQC-SNVBAGLBSA-N 2 0 351.235 3.658 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415026188 941548969 /nfs/dbraw/zinc/54/89/69/941548969.db2.gz STZVIWJTDNLAAD-WDEREUQCSA-N 2 0 365.827 3.793 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000415031891 941555935 /nfs/dbraw/zinc/55/59/35/941555935.db2.gz HJOAIFJTEODHCX-PKOBYXMFSA-N 2 0 366.534 3.877 20 0 FHADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041650 941561385 /nfs/dbraw/zinc/56/13/85/941561385.db2.gz LNLBRTAGGFJQQY-JKSUJKDBSA-N 2 0 372.431 3.600 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415043076 941561826 /nfs/dbraw/zinc/56/18/26/941561826.db2.gz ABYACFOGWHKBTN-RZFNWQHOSA-N 2 0 351.538 3.892 20 0 FHADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN[C@H](c4ccccc4)C3)CC2)cc1 ZINC000415083443 941592800 /nfs/dbraw/zinc/59/28/00/941592800.db2.gz FKMFORHEOKLMNO-RPWUZVMVSA-N 2 0 363.549 3.982 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000415102292 941604545 /nfs/dbraw/zinc/60/45/45/941604545.db2.gz DJXMMQGDQHZAAR-GOEBONIOSA-N 2 0 373.360 3.537 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127784 941622545 /nfs/dbraw/zinc/62/25/45/941622545.db2.gz RGMUOVYZUKFZCD-QFBILLFUSA-N 2 0 359.901 3.607 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415129322 941623124 /nfs/dbraw/zinc/62/31/24/941623124.db2.gz PFNGXZFTACKXNF-VXKWHMMOSA-N 2 0 360.542 3.830 20 0 FHADRP Cc1cccc(CC[C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415131700 941625047 /nfs/dbraw/zinc/62/50/47/941625047.db2.gz JTOXAYKXYAITIU-NRFANRHFSA-N 2 0 365.565 3.899 20 0 FHADRP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404233 941697989 /nfs/dbraw/zinc/69/79/89/941697989.db2.gz PMBPOKWZSZNWHW-PZJWPPBQSA-N 2 0 374.550 3.694 20 0 FHADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000729347022 941726584 /nfs/dbraw/zinc/72/65/84/941726584.db2.gz BPEZPBQDRXCYEA-OAQYLSRUSA-N 2 0 363.590 3.658 20 0 FHADRP Cc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000549247598 941741126 /nfs/dbraw/zinc/74/11/26/941741126.db2.gz WCZGJGGITKNTDO-KDURUIRLSA-N 2 0 354.542 3.853 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1 ZINC000513169131 941750427 /nfs/dbraw/zinc/75/04/27/941750427.db2.gz ALPJDWKYKIPYMI-UHFFFAOYSA-N 2 0 371.525 3.634 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513233772 941790349 /nfs/dbraw/zinc/79/03/49/941790349.db2.gz OLSVCCYXIMNGTE-AZUAARDMSA-N 2 0 365.606 3.509 20 0 FHADRP CCc1ccc([C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392885 941888366 /nfs/dbraw/zinc/88/83/66/941888366.db2.gz ZFSODDRAQKLJME-QHCPKHFHSA-N 2 0 357.586 3.845 20 0 FHADRP C[NH+](C)Cc1cc(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)ccc1F ZINC000513394208 941889242 /nfs/dbraw/zinc/88/92/42/941889242.db2.gz LCLBGRIUAYDRTB-QFIPXVFZSA-N 2 0 364.468 3.751 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000513469150 941945589 /nfs/dbraw/zinc/94/55/89/941945589.db2.gz NHEJLLSSWJAISG-CVDCTZTESA-N 2 0 351.538 3.891 20 0 FHADRP Cc1[nH]nc2ncc(C[NH2+]CC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000513495241 941962528 /nfs/dbraw/zinc/96/25/28/941962528.db2.gz NEXKQICVYQHTKM-VQIMIIECSA-N 2 0 363.509 3.657 20 0 FHADRP Fc1ccc(Br)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000314468436 941987798 /nfs/dbraw/zinc/98/77/98/941987798.db2.gz GVUBOHUBQYWKCO-UHFFFAOYSA-N 2 0 364.262 3.742 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000509932085 941990656 /nfs/dbraw/zinc/99/06/56/941990656.db2.gz SAPHSWVRNOLBNM-RTBURBONSA-N 2 0 354.542 3.935 20 0 FHADRP Cc1ccc(-c2ccc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)o2)cc1 ZINC000513536367 942003041 /nfs/dbraw/zinc/00/30/41/942003041.db2.gz JDPAIWFJMNCRIU-SFHVURJKSA-N 2 0 356.510 3.780 20 0 FHADRP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1O ZINC000513546693 942006361 /nfs/dbraw/zinc/00/63/61/942006361.db2.gz ZMLJNISPGPYCFK-FXAWDEMLSA-N 2 0 354.494 3.791 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000415904401 942131674 /nfs/dbraw/zinc/13/16/74/942131674.db2.gz RFULMTVMDHKTKE-UHFFFAOYSA-N 2 0 366.509 3.501 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000415917250 942141318 /nfs/dbraw/zinc/14/13/18/942141318.db2.gz IRVBIFUZRJQSHE-FQEVSTJZSA-N 2 0 358.530 3.572 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415910986 942144710 /nfs/dbraw/zinc/14/47/10/942144710.db2.gz IRNANLLHXUXNHX-ROUUACIJSA-N 2 0 366.509 3.533 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000415930999 942157162 /nfs/dbraw/zinc/15/71/62/942157162.db2.gz KZMPXDPGZRIART-IBGZPJMESA-N 2 0 372.538 3.552 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415926944 942163740 /nfs/dbraw/zinc/16/37/40/942163740.db2.gz BZLXYIHMUIUMAK-ROUUACIJSA-N 2 0 366.509 3.533 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000415928526 942164785 /nfs/dbraw/zinc/16/47/85/942164785.db2.gz FRKSOQTXDIVIDP-IBGZPJMESA-N 2 0 374.916 3.874 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000415940837 942171819 /nfs/dbraw/zinc/17/18/19/942171819.db2.gz DSXFGOXAKPTLEA-IBGZPJMESA-N 2 0 372.557 3.916 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000415943291 942174619 /nfs/dbraw/zinc/17/46/19/942174619.db2.gz LIHSVQSQNNFLQN-HXUWFJFHSA-N 2 0 360.546 3.674 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000415945614 942179658 /nfs/dbraw/zinc/17/96/58/942179658.db2.gz RSDHZUCSIHYLCI-OAQYLSRUSA-N 2 0 366.509 3.534 20 0 FHADRP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000502048404 942198331 /nfs/dbraw/zinc/19/83/31/942198331.db2.gz XQYZORRJPXBYRO-TZIWHRDSSA-N 2 0 357.542 3.571 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000415960865 942199491 /nfs/dbraw/zinc/19/94/91/942199491.db2.gz OFEWRYLOBAANRF-QFIPXVFZSA-N 2 0 366.509 3.582 20 0 FHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000265074577 942223609 /nfs/dbraw/zinc/22/36/09/942223609.db2.gz XVYXQDSKBTWAMR-UHFFFAOYSA-N 2 0 369.509 3.585 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000415975770 942228344 /nfs/dbraw/zinc/22/83/44/942228344.db2.gz UOMIOORAISCJEN-MRXNPFEDSA-N 2 0 354.498 3.657 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933626 942261721 /nfs/dbraw/zinc/26/17/21/942261721.db2.gz WKJWEYSUAYDHEG-JOCHJYFZSA-N 2 0 361.549 3.639 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 ZINC000501051742 942276993 /nfs/dbraw/zinc/27/69/93/942276993.db2.gz FSOWDSOWWPALEJ-HXUWFJFHSA-N 2 0 361.549 3.811 20 0 FHADRP Cc1cc(C)cc(OCCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000501098820 942306122 /nfs/dbraw/zinc/30/61/22/942306122.db2.gz DWMHIZYFSNKVAS-VXKWHMMOSA-N 2 0 373.585 3.563 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000501114351 942316670 /nfs/dbraw/zinc/31/66/70/942316670.db2.gz VYIUUUSWXNIXRL-UHFFFAOYSA-N 2 0 371.491 3.946 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)C[C@H](C)O1 ZINC000502273551 942324766 /nfs/dbraw/zinc/32/47/66/942324766.db2.gz KXGVBSAAUVTGQM-XQBPLPMBSA-N 2 0 372.553 3.735 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416146053 942395371 /nfs/dbraw/zinc/39/53/71/942395371.db2.gz NODOPIGAUQUZJW-QFIPXVFZSA-N 2 0 367.537 3.790 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148229 942398330 /nfs/dbraw/zinc/39/83/30/942398330.db2.gz ZLRQJVYWESGIDG-YHELAOLJSA-N 2 0 357.542 3.543 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168459 942436136 /nfs/dbraw/zinc/43/61/36/942436136.db2.gz YFYXLVQLYHFLFK-KCZVDYSFSA-N 2 0 371.569 3.792 20 0 FHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000502427006 942440318 /nfs/dbraw/zinc/44/03/18/942440318.db2.gz HTVKRQYSWWFJMJ-IBGZPJMESA-N 2 0 373.589 3.599 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000414823414 942444186 /nfs/dbraw/zinc/44/41/86/942444186.db2.gz DEIUFMLBBNCLAP-QGZVFWFLSA-N 2 0 350.466 3.530 20 0 FHADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414823515 942445946 /nfs/dbraw/zinc/44/59/46/942445946.db2.gz DRKXYJSXXMBXFQ-INIZCTEOSA-N 2 0 352.507 3.690 20 0 FHADRP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513713231 942447226 /nfs/dbraw/zinc/44/72/26/942447226.db2.gz MMNOSDOEEFSGIU-IPMKNSEASA-N 2 0 370.459 3.846 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501422688 942469177 /nfs/dbraw/zinc/46/91/77/942469177.db2.gz NVGSNUFTXMANOG-MAUBAPBLSA-N 2 0 369.475 3.724 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000421363607 942515020 /nfs/dbraw/zinc/51/50/20/942515020.db2.gz QGIFDCPHJHNBCU-RDJZCZTQSA-N 2 0 370.497 3.518 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000421368627 942519332 /nfs/dbraw/zinc/51/93/32/942519332.db2.gz GPTMSFDLFVOAJN-UHFFFAOYSA-N 2 0 368.312 3.537 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421369523 942519960 /nfs/dbraw/zinc/51/99/60/942519960.db2.gz HXMBEVJYSWUTOK-NFOMZHRRSA-N 2 0 371.447 3.885 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000421370369 942521842 /nfs/dbraw/zinc/52/18/42/942521842.db2.gz ILVZJWDQFAXNQT-QHCPKHFHSA-N 2 0 357.586 3.918 20 0 FHADRP Cn1c(C[NH2+]C2CCC([NH+](C)C)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000421372030 942524072 /nfs/dbraw/zinc/52/40/72/942524072.db2.gz LRBFRPASZZGAQB-UHFFFAOYSA-N 2 0 354.420 3.555 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000421375203 942526744 /nfs/dbraw/zinc/52/67/44/942526744.db2.gz PZKYETNWOCLXHQ-LXPRWKDFSA-N 2 0 351.332 3.769 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000501534692 942535468 /nfs/dbraw/zinc/53/54/68/942535468.db2.gz UZBMOHJIFUUSGS-MOPGFXCFSA-N 2 0 374.573 3.591 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2)c1 ZINC000414838919 942547419 /nfs/dbraw/zinc/54/74/19/942547419.db2.gz VXLGPSIOUVTHDF-KRWDZBQOSA-N 2 0 356.466 3.585 20 0 FHADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000237075179 942577560 /nfs/dbraw/zinc/57/75/60/942577560.db2.gz VYTJSYMJJPBVQK-IBGZPJMESA-N 2 0 360.505 3.971 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414842592 942578756 /nfs/dbraw/zinc/57/87/56/942578756.db2.gz PEPMFRSCPFXLDB-GOSISDBHSA-N 2 0 354.542 3.708 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3cccc(OC)c3)CC2)cc1 ZINC000420298545 942609880 /nfs/dbraw/zinc/60/98/80/942609880.db2.gz HPYSZEIUMCKGRK-HXUWFJFHSA-N 2 0 354.494 3.626 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3ccc(OC)cc3)CC2)cc1 ZINC000420298466 942610199 /nfs/dbraw/zinc/61/01/99/942610199.db2.gz HEAHAMCDUYPNIY-FQEVSTJZSA-N 2 0 354.494 3.626 20 0 FHADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305875 942612783 /nfs/dbraw/zinc/61/27/83/942612783.db2.gz GXPBGIDFRVAVPZ-OXQOHEQNSA-N 2 0 355.457 3.566 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000420309488 942613742 /nfs/dbraw/zinc/61/37/42/942613742.db2.gz TZEVGXZHICWIEU-QGZVFWFLSA-N 2 0 360.523 3.600 20 0 FHADRP C[C@]1(C[NH3+])CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420315416 942617763 /nfs/dbraw/zinc/61/77/63/942617763.db2.gz MDUSUITVRZEMOU-GOSISDBHSA-N 2 0 360.914 3.887 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000420316454 942619111 /nfs/dbraw/zinc/61/91/11/942619111.db2.gz YECXVXLDWXIXOG-ZYSHUDEJSA-N 2 0 363.461 3.673 20 0 FHADRP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341186 942624857 /nfs/dbraw/zinc/62/48/57/942624857.db2.gz NYDBYYGKHHQIEL-UZLBHIALSA-N 2 0 351.494 3.631 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377972 942646426 /nfs/dbraw/zinc/64/64/26/942646426.db2.gz AUYQRAZDUVQXGK-BBRMVZONSA-N 2 0 370.324 3.786 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000420384360 942649021 /nfs/dbraw/zinc/64/90/21/942649021.db2.gz ROWZOWNOWRJWEE-ZWKOTPCHSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000420388630 942650678 /nfs/dbraw/zinc/65/06/78/942650678.db2.gz LRBZGAYDOXFEDD-SJLPKXTDSA-N 2 0 354.947 3.650 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCOc3cccc4ccccc43)CC2)C1 ZINC000420392369 942652921 /nfs/dbraw/zinc/65/29/21/942652921.db2.gz PLGAMTINZPNYBM-NFBKMPQASA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000420394607 942653689 /nfs/dbraw/zinc/65/36/89/942653689.db2.gz RYJJTLJQNFYXCF-JTHBVZDNSA-N 2 0 368.521 3.827 20 0 FHADRP Cc1ccc(CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C2CC2)cc1 ZINC000501768575 942658642 /nfs/dbraw/zinc/65/86/42/942658642.db2.gz CCJZMWOXCQHDND-UHFFFAOYSA-N 2 0 371.569 3.540 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405573 942662745 /nfs/dbraw/zinc/66/27/45/942662745.db2.gz TYOAIQHPKYIMKS-RBBKRZOGSA-N 2 0 363.505 3.903 20 0 FHADRP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501783838 942671365 /nfs/dbraw/zinc/67/13/65/942671365.db2.gz AQFDJYQGMPKUGO-OAHLLOKOSA-N 2 0 351.922 3.721 20 0 FHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000514005811 942680429 /nfs/dbraw/zinc/68/04/29/942680429.db2.gz SHHCICOBXWMTBH-OXQOHEQNSA-N 2 0 368.949 3.583 20 0 FHADRP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501794956 942681667 /nfs/dbraw/zinc/68/16/67/942681667.db2.gz MKFCINCHCQHLOL-NRFANRHFSA-N 2 0 359.558 3.650 20 0 FHADRP FC(F)Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847255 942758444 /nfs/dbraw/zinc/75/84/44/942758444.db2.gz VTVZGTVOASQSDD-NSHDSACASA-N 2 0 363.246 3.530 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414848821 942817881 /nfs/dbraw/zinc/81/78/81/942817881.db2.gz WOICHLMPEIAAJM-CYBMUJFWSA-N 2 0 373.419 3.554 20 0 FHADRP Cc1ccc2c(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248353 942849345 /nfs/dbraw/zinc/84/93/45/942849345.db2.gz ORKPNTZSHUCPOE-WMZOPIPTSA-N 2 0 353.510 3.991 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000421890660 942867250 /nfs/dbraw/zinc/86/72/50/942867250.db2.gz YCQDJNUZSPUILQ-WXDAQCLHSA-N 2 0 350.934 3.893 20 0 FHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000425154068 942880350 /nfs/dbraw/zinc/88/03/50/942880350.db2.gz GSXRAVIKRWSQPY-UXHICEINSA-N 2 0 368.525 3.703 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000502997609 942899916 /nfs/dbraw/zinc/89/99/16/942899916.db2.gz PFBLGBBZCXEICQ-FYYLOGMGSA-N 2 0 350.506 3.537 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000503037487 942932526 /nfs/dbraw/zinc/93/25/26/942932526.db2.gz HBMITRZHUBXEDC-RTBURBONSA-N 2 0 374.573 3.537 20 0 FHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000378616449 942965794 /nfs/dbraw/zinc/96/57/94/942965794.db2.gz OTURMUWVIWYGFF-FXAWDEMLSA-N 2 0 366.509 3.603 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNCc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000414854283 942969612 /nfs/dbraw/zinc/96/96/12/942969612.db2.gz ZDFGROYVERGOMV-SFHVURJKSA-N 2 0 372.582 3.823 20 0 FHADRP COC[C@H]([NH2+]CCCCCC[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000273532038 942979572 /nfs/dbraw/zinc/97/95/72/942979572.db2.gz TUWMJNRIWZALFP-ROUUACIJSA-N 2 0 364.486 3.687 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000503122648 942989291 /nfs/dbraw/zinc/98/92/91/942989291.db2.gz ZXBVIWDXDITVEC-OALUTQOASA-N 2 0 374.573 3.680 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271709308 943038656 /nfs/dbraw/zinc/03/86/56/943038656.db2.gz MNMIAOSCLIHLNY-MZPVMMEZSA-N 2 0 372.340 3.604 20 0 FHADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414863724 943098447 /nfs/dbraw/zinc/09/84/47/943098447.db2.gz YBGATDSMYKVKGH-DOTOQJQBSA-N 2 0 360.523 3.813 20 0 FHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000414652242 943103344 /nfs/dbraw/zinc/10/33/44/943103344.db2.gz GUKRJVVDTTWLJR-FQEVSTJZSA-N 2 0 360.505 3.687 20 0 FHADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272281186 943128435 /nfs/dbraw/zinc/12/84/35/943128435.db2.gz ADKXGSGLOZPSCO-WERVVEIQSA-N 2 0 350.510 3.583 20 0 FHADRP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272381943 943146798 /nfs/dbraw/zinc/14/67/98/943146798.db2.gz BZCQXFGIUIVYBF-UTKZUKDTSA-N 2 0 351.494 3.645 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668701 943169690 /nfs/dbraw/zinc/16/96/90/943169690.db2.gz ZBJRQNPNNUZIMY-HIFRSBDPSA-N 2 0 360.420 3.586 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000414667533 943173038 /nfs/dbraw/zinc/17/30/38/943173038.db2.gz HLFKAGBCMUVREZ-KRWDZBQOSA-N 2 0 354.542 3.788 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000416884756 943199186 /nfs/dbraw/zinc/19/91/86/943199186.db2.gz DHFHFBZXEQVTLM-QGZVFWFLSA-N 2 0 368.525 3.548 20 0 FHADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000514668549 943202774 /nfs/dbraw/zinc/20/27/74/943202774.db2.gz ILVBMNPFSJTZOH-UZLBHIALSA-N 2 0 368.949 3.633 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000514670437 943203423 /nfs/dbraw/zinc/20/34/23/943203423.db2.gz DATOREPQCZNUEW-OALUTQOASA-N 2 0 373.928 3.785 20 0 FHADRP CCS[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH2+][C@@H]2CCC[C@@H]2SCC)COC1 ZINC000503517787 943229319 /nfs/dbraw/zinc/22/93/19/943229319.db2.gz SDDNCUIMJUIXGG-FZDBZEDMSA-N 2 0 372.644 3.531 20 0 FHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c21 ZINC000422708619 943242107 /nfs/dbraw/zinc/24/21/07/943242107.db2.gz CBGGAYCZCQADLL-OFNKIYASSA-N 2 0 361.489 3.864 20 0 FHADRP COc1ccc([C@H](NC[C@@H](c2cccc(F)c2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422731975 943249706 /nfs/dbraw/zinc/24/97/06/943249706.db2.gz OQSLLHMEWFJAGI-FSSWDIPSSA-N 2 0 371.500 3.520 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422733169 943250924 /nfs/dbraw/zinc/25/09/24/943250924.db2.gz QSMRKNLMUKPWKG-IFXJQAMLSA-N 2 0 370.368 3.936 20 0 FHADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713378 943254293 /nfs/dbraw/zinc/25/42/93/943254293.db2.gz JOIXIEWTJPORLM-CWBXHPNXSA-N 2 0 373.585 3.596 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)ccn2)cc1 ZINC000422716001 943255172 /nfs/dbraw/zinc/25/51/72/943255172.db2.gz TZEHDUNPOMGTMG-OXJNMPFZSA-N 2 0 355.482 3.750 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720522 943257586 /nfs/dbraw/zinc/25/75/86/943257586.db2.gz SPGJQFPUMJLTON-VQIMIIECSA-N 2 0 355.482 3.932 20 0 FHADRP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422757808 943262202 /nfs/dbraw/zinc/26/22/02/943262202.db2.gz MZBYGCNZSDKACO-GPJHCHHRSA-N 2 0 371.569 3.733 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737739 943264882 /nfs/dbraw/zinc/26/48/82/943264882.db2.gz XVTKLQBWCOYSIQ-BMGDILEWSA-N 2 0 354.897 3.503 20 0 FHADRP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422743995 943267989 /nfs/dbraw/zinc/26/79/89/943267989.db2.gz JMRPBDRSCKZTTF-SYYKKAFVSA-N 2 0 351.494 3.933 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755478 943273863 /nfs/dbraw/zinc/27/38/63/943273863.db2.gz HYVXVFVGZOFTEB-KQZHTCIUSA-N 2 0 371.569 3.588 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422766264 943274818 /nfs/dbraw/zinc/27/48/18/943274818.db2.gz LRMJQOKRWZTEKE-SIKLNZKXSA-N 2 0 352.453 3.703 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000422769604 943277088 /nfs/dbraw/zinc/27/70/88/943277088.db2.gz VRQRTRKSRHRLAE-QWHCGFSZSA-N 2 0 367.415 3.986 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000422762919 943284205 /nfs/dbraw/zinc/28/42/05/943284205.db2.gz NCFPFHSMVCKWPK-KRWDZBQOSA-N 2 0 369.347 3.604 20 0 FHADRP c1ccc2c(c1)cccc2CSCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422765030 943284806 /nfs/dbraw/zinc/28/48/06/943284806.db2.gz PYLKVNXOBHBVGN-BHDDXSALSA-N 2 0 370.562 3.820 20 0 FHADRP c1ccc(OCC2CC2)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766142 943285762 /nfs/dbraw/zinc/28/57/62/943285762.db2.gz LLOWOUHETPDYSW-REWPJTCUSA-N 2 0 364.489 3.821 20 0 FHADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCCC2 ZINC000422809087 943290887 /nfs/dbraw/zinc/29/08/87/943290887.db2.gz RGUBBSOOQFXLJS-WJMWBRGCSA-N 2 0 356.510 3.570 20 0 FHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422813374 943293099 /nfs/dbraw/zinc/29/30/99/943293099.db2.gz YAOXJGGZULUTEW-NBCNXNJRSA-N 2 0 353.510 3.976 20 0 FHADRP Cc1ccc([C@@H]([NH2+][C@H](C)CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422792969 943295067 /nfs/dbraw/zinc/29/50/67/943295067.db2.gz FILCSPZXZOKILR-DYESRHJHSA-N 2 0 374.550 3.595 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422822842 943295656 /nfs/dbraw/zinc/29/56/56/943295656.db2.gz KUNQQDYUEJMVJL-IPMKNSEASA-N 2 0 358.526 3.636 20 0 FHADRP COc1ccc([C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422824151 943296587 /nfs/dbraw/zinc/29/65/87/943296587.db2.gz NECOCMIFOKQBIK-GOTSBHOMSA-N 2 0 371.569 3.875 20 0 FHADRP Clc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422828907 943298411 /nfs/dbraw/zinc/29/84/11/943298411.db2.gz UDVRZDLDCSNPJD-KBAYOESNSA-N 2 0 357.325 3.673 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832151 943298891 /nfs/dbraw/zinc/29/88/91/943298891.db2.gz URMZCZVZZUHNTM-LAUBAEHRSA-N 3 0 357.567 3.508 20 0 FHADRP Fc1ccc(OCCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422831854 943299097 /nfs/dbraw/zinc/29/90/97/943299097.db2.gz KAGCFTKIEPRKFR-RBBKRZOGSA-N 2 0 370.468 3.830 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832698 943299444 /nfs/dbraw/zinc/29/94/44/943299444.db2.gz VIXSASJHYQGAGW-VCOUNFBDSA-N 2 0 359.558 3.588 20 0 FHADRP CCO[C@H](CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000422834123 943299771 /nfs/dbraw/zinc/29/97/71/943299771.db2.gz ZLZHERLDCHEEGQ-TUNNFDKTSA-N 2 0 358.526 3.817 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818461 943303460 /nfs/dbraw/zinc/30/34/60/943303460.db2.gz GEMQWVYTIXYLOP-JTHBVZDNSA-N 2 0 369.553 3.629 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000422854560 943307400 /nfs/dbraw/zinc/30/74/00/943307400.db2.gz BCYDKUYJNNIRCV-KSEOMHKRSA-N 2 0 356.554 3.944 20 0 FHADRP Cc1ccc(OCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422857621 943307814 /nfs/dbraw/zinc/30/78/14/943307814.db2.gz HEBHABPRIMHWFI-UNMCSNQZSA-N 2 0 352.478 3.609 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422860919 943308480 /nfs/dbraw/zinc/30/84/80/943308480.db2.gz NEPPFXCDIUAOSO-GUDVDZBRSA-N 2 0 360.542 3.882 20 0 FHADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422864527 943310247 /nfs/dbraw/zinc/31/02/47/943310247.db2.gz NIAHALZUXSASDK-PWRODBHTSA-N 2 0 360.542 3.811 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422843189 943312206 /nfs/dbraw/zinc/31/22/06/943312206.db2.gz HHTXEYGABRHHDO-UTKZUKDTSA-N 2 0 366.509 3.734 20 0 FHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422881170 943314956 /nfs/dbraw/zinc/31/49/56/943314956.db2.gz PRVFBFYVWHGTRU-FDFHNCONSA-N 2 0 374.569 3.746 20 0 FHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422889271 943318759 /nfs/dbraw/zinc/31/87/59/943318759.db2.gz PFHGGXSPUONGBX-FYYLOGMGSA-N 2 0 361.489 3.946 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422888425 943318802 /nfs/dbraw/zinc/31/88/02/943318802.db2.gz CUCUBAFXWJTBJK-KBXCAEBGSA-N 2 0 352.400 3.676 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)CCCC[NH3+])CCOCC1 ZINC000422898002 943324089 /nfs/dbraw/zinc/32/40/89/943324089.db2.gz DFVPBBMQMOCUEQ-OAHLLOKOSA-N 2 0 354.922 3.504 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422899629 943324429 /nfs/dbraw/zinc/32/44/29/943324429.db2.gz HXNKNZPJWFRCMK-NJDAHSKKSA-N 2 0 360.517 3.774 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414702360 943325773 /nfs/dbraw/zinc/32/57/73/943325773.db2.gz BBHSNZGCYDGELT-HKUYNNGSSA-N 2 0 370.541 3.524 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422907786 943327259 /nfs/dbraw/zinc/32/72/59/943327259.db2.gz XNWBLQZBPKJGNZ-BHIFYINESA-N 2 0 372.553 3.644 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425340735 943328624 /nfs/dbraw/zinc/32/86/24/943328624.db2.gz FHGKWUGTDMAQOK-FNHZYXHNSA-N 2 0 351.535 3.512 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422895944 943331385 /nfs/dbraw/zinc/33/13/85/943331385.db2.gz GVYYBOZIBFVKQY-BHDDXSALSA-N 2 0 372.553 3.644 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@](C)(C[NH3+])C1CC1)C1CCCCC1 ZINC000414703613 943331626 /nfs/dbraw/zinc/33/16/26/943331626.db2.gz CNCPONRAMBCKIF-OAQYLSRUSA-N 2 0 358.530 3.700 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422923144 943332203 /nfs/dbraw/zinc/33/22/03/943332203.db2.gz RGRXJBHKQYKXPI-KBPBESRZSA-N 2 0 372.431 3.677 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000660150660 943335433 /nfs/dbraw/zinc/33/54/33/943335433.db2.gz KPTYVYGCGKJXES-NRFANRHFSA-N 2 0 355.570 3.597 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422930483 943335725 /nfs/dbraw/zinc/33/57/25/943335725.db2.gz UPCWSGGCDWBQLM-GFCCVEGCSA-N 2 0 361.873 3.514 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422934545 943337162 /nfs/dbraw/zinc/33/71/62/943337162.db2.gz JTLUTPKXQVKTBA-FZKQIMNGSA-N 2 0 365.290 3.679 20 0 FHADRP FC(F)COc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422936422 943337853 /nfs/dbraw/zinc/33/78/53/943337853.db2.gz BPHOIAFHZOGWRI-RXVVDRJESA-N 2 0 374.431 3.676 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422940106 943339043 /nfs/dbraw/zinc/33/90/43/943339043.db2.gz IQUJYENRYXONCA-LBPRGKRZSA-N 2 0 353.388 3.597 20 0 FHADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154114 943341383 /nfs/dbraw/zinc/34/13/83/943341383.db2.gz IZCOHVOFJXGVKP-JVSAHFFESA-N 2 0 355.570 3.528 20 0 FHADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414707448 943343406 /nfs/dbraw/zinc/34/34/06/943343406.db2.gz HYWGIIMEPVEKLH-DLBZAZTESA-N 2 0 358.530 3.665 20 0 FHADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422951541 943347304 /nfs/dbraw/zinc/34/73/04/943347304.db2.gz YZDJQAMANYADEY-IFMALSPDSA-N 2 0 352.478 3.528 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000422953072 943347953 /nfs/dbraw/zinc/34/79/53/943347953.db2.gz CXHQUVJCKKHDCW-FZONSQQESA-N 2 0 367.537 3.666 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872433 943351949 /nfs/dbraw/zinc/35/19/49/943351949.db2.gz ZYMWTSJFTZDQCM-PZJWPPBQSA-N 2 0 371.569 3.517 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422990578 943352691 /nfs/dbraw/zinc/35/26/91/943352691.db2.gz NUAGTEASHILKCH-GDIGMMSISA-N 2 0 364.411 3.591 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000435374772 943355897 /nfs/dbraw/zinc/35/58/97/943355897.db2.gz YFHVRMJBXBQKEZ-CQSZACIVSA-N 2 0 360.933 3.761 20 0 FHADRP CN(Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC[NH2+]CC1 ZINC000435374470 943355993 /nfs/dbraw/zinc/35/59/93/943355993.db2.gz XLTYWECLKWYMKQ-UHFFFAOYSA-N 2 0 357.885 3.776 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422978501 943357283 /nfs/dbraw/zinc/35/72/83/943357283.db2.gz HMOOKLWXDRBEIH-RXVVDRJESA-N 2 0 359.558 3.614 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccccc1 ZINC000422978716 943357304 /nfs/dbraw/zinc/35/73/04/943357304.db2.gz KHLFCWOAZUYYPK-FUPPJEDESA-N 2 0 365.521 3.969 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422996861 943359861 /nfs/dbraw/zinc/35/98/61/943359861.db2.gz ACTBKYXVXBMPMA-ONGXBYRLSA-N 2 0 358.457 3.502 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423017306 943365195 /nfs/dbraw/zinc/36/51/95/943365195.db2.gz OJIXNGLSDCHYPG-PEYYIBSZSA-N 2 0 363.354 3.569 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCc1cccs1 ZINC000435378122 943366745 /nfs/dbraw/zinc/36/67/45/943366745.db2.gz CCJIJXCSCRHHAG-RYQLBKOJSA-N 2 0 358.507 3.505 20 0 FHADRP CN1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023363 943367725 /nfs/dbraw/zinc/36/77/25/943367725.db2.gz JRDQFDPKTDSUAH-SIKLZNNZSA-N 2 0 353.913 3.579 20 0 FHADRP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423047870 943368134 /nfs/dbraw/zinc/36/81/34/943368134.db2.gz HJHGWFUYHVRLNA-VBQJREDUSA-N 2 0 357.336 3.502 20 0 FHADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423023662 943369514 /nfs/dbraw/zinc/36/95/14/943369514.db2.gz HZKVXWAFWPYLAS-BDAKNGLRSA-N 2 0 370.118 3.850 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423027150 943370152 /nfs/dbraw/zinc/37/01/52/943370152.db2.gz OKQZOJLSNGVZJD-SECBINFHSA-N 2 0 370.118 3.852 20 0 FHADRP Cc1nc(COc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)cs1 ZINC000435380903 943370198 /nfs/dbraw/zinc/37/01/98/943370198.db2.gz QFNKGTDNLGJNCU-OAQYLSRUSA-N 2 0 371.550 3.995 20 0 FHADRP C[C@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423032407 943371956 /nfs/dbraw/zinc/37/19/56/943371956.db2.gz MMHDHADIWZYJLI-SCLBCKFNSA-N 2 0 356.341 3.688 20 0 FHADRP CC[N@H+](Cc1ccc(Br)c2cccnc12)[C@@H]1CCC[NH2+]CC1 ZINC000435387033 943374666 /nfs/dbraw/zinc/37/46/66/943374666.db2.gz WKCVDVFUVKIFFX-OAHLLOKOSA-N 2 0 362.315 3.961 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423060607 943378089 /nfs/dbraw/zinc/37/80/89/943378089.db2.gz IPAKFSCGFYDRME-JCKWVBRZSA-N 2 0 354.897 3.633 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062580 943379253 /nfs/dbraw/zinc/37/92/53/943379253.db2.gz NFGYHJVFLSMUAJ-NSISKUIASA-N 2 0 364.480 3.523 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423064599 943379382 /nfs/dbraw/zinc/37/93/82/943379382.db2.gz AALNBAIQJGKPMB-ZDUSSCGKSA-N 2 0 364.839 3.734 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423072222 943381820 /nfs/dbraw/zinc/38/18/20/943381820.db2.gz PLDSHMOHQKFIPX-OKZBNKHCSA-N 2 0 370.459 3.730 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071054 943382249 /nfs/dbraw/zinc/38/22/49/943382249.db2.gz NXHRXIJYJYUARY-PMUMKWKESA-N 2 0 362.315 3.843 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423076183 943383145 /nfs/dbraw/zinc/38/31/45/943383145.db2.gz YJNUKIRXBSYWCP-IUODEOHRSA-N 2 0 358.313 3.596 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423055103 943385485 /nfs/dbraw/zinc/38/54/85/943385485.db2.gz VUAWDCLOJOMRNZ-QGZVFWFLSA-N 2 0 353.510 3.886 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)cc1I ZINC000423083799 943388293 /nfs/dbraw/zinc/38/82/93/943388293.db2.gz HAKJOHGOMHXYMV-SNVBAGLBSA-N 2 0 366.674 3.552 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088926 943390610 /nfs/dbraw/zinc/39/06/10/943390610.db2.gz RHKJVMHKHHAANZ-ZMYBRWDISA-N 2 0 372.310 3.762 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097092 943392680 /nfs/dbraw/zinc/39/26/80/943392680.db2.gz AHHDHWPBNWAFLK-HEHGZKQESA-N 2 0 365.871 3.981 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100959 943394546 /nfs/dbraw/zinc/39/45/46/943394546.db2.gz NDDPLCFLDLSDGQ-ZZGLYJMHSA-N 2 0 369.336 3.986 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]CCCCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000423103563 943395159 /nfs/dbraw/zinc/39/51/59/943395159.db2.gz LDKPYFJZDCQKCS-AWEZNQCLSA-N 2 0 372.962 3.635 20 0 FHADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423114416 943395645 /nfs/dbraw/zinc/39/56/45/943395645.db2.gz VPQHEVWQDJAANI-DESBSMFKSA-N 2 0 353.510 3.851 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423114369 943395799 /nfs/dbraw/zinc/39/57/99/943395799.db2.gz VJEAUEIOSOCGGL-KPZWWZAWSA-N 2 0 368.308 3.930 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000423122933 943397908 /nfs/dbraw/zinc/39/79/08/943397908.db2.gz KHESCGUJYXNGEA-BDTNDASRSA-N 2 0 353.510 3.811 20 0 FHADRP COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423122396 943397979 /nfs/dbraw/zinc/39/79/79/943397979.db2.gz KOEJLENSRZUFLK-ZJOUEHCJSA-N 2 0 372.896 3.873 20 0 FHADRP CSc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423146191 943407199 /nfs/dbraw/zinc/40/71/99/943407199.db2.gz OLHLCGOPZZZIBA-CZAAIQMYSA-N 2 0 357.567 3.559 20 0 FHADRP COc1ccc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000435428380 943407333 /nfs/dbraw/zinc/40/73/33/943407333.db2.gz QLPJOSVWTCQNJD-OAHLLOKOSA-N 2 0 365.930 3.725 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000584691164 943411481 /nfs/dbraw/zinc/41/14/81/943411481.db2.gz UMTDCMMPWHVSSM-NQIIRXRSSA-N 2 0 357.542 3.617 20 0 FHADRP Fc1ccc(CC2([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000423154056 943411634 /nfs/dbraw/zinc/41/16/34/943411634.db2.gz IPEWAMDIYNYWHG-KNQAVFIVSA-N 2 0 352.453 3.746 20 0 FHADRP CN1CCC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152917 943411731 /nfs/dbraw/zinc/41/17/31/943411731.db2.gz GLKLOYWPUIGIIH-JTAQYXEDSA-N 2 0 363.505 3.803 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155721 943412210 /nfs/dbraw/zinc/41/22/10/943412210.db2.gz LNMQHTLCDXWJOZ-MJGOQNOKSA-N 2 0 369.534 3.924 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423135169 943415183 /nfs/dbraw/zinc/41/51/83/943415183.db2.gz FHQAIDYLRZFSQX-ZTCOLXNVSA-N 2 0 365.565 3.837 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423138508 943416105 /nfs/dbraw/zinc/41/61/05/943416105.db2.gz TUDJUQNWSRQAIO-QRVBRYPASA-N 2 0 360.571 3.564 20 0 FHADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164787 943423370 /nfs/dbraw/zinc/42/33/70/943423370.db2.gz AGMXXIMBDTXOKI-NQSCKRDGSA-N 2 0 351.494 3.638 20 0 FHADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171437 943424919 /nfs/dbraw/zinc/42/49/19/943424919.db2.gz OMLBOFOVFKFBPB-GTCCEBARSA-N 2 0 352.478 3.910 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423208197 943431661 /nfs/dbraw/zinc/43/16/61/943431661.db2.gz DHRCMRLJKYIDSW-KPPDAEKUSA-N 2 0 350.356 3.810 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208313 943431677 /nfs/dbraw/zinc/43/16/77/943431677.db2.gz HQTWMMCEWKTHNW-SIKLNZKXSA-N 3 0 361.549 3.968 20 0 FHADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417216058 943443291 /nfs/dbraw/zinc/44/32/91/943443291.db2.gz JDBYNDQRJGCHRM-GOSISDBHSA-N 2 0 374.573 3.768 20 0 FHADRP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893297135 943447650 /nfs/dbraw/zinc/44/76/50/943447650.db2.gz JQWJXOARBSMZKO-XWIXUBGPSA-N 2 0 367.331 3.740 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232025 943453598 /nfs/dbraw/zinc/45/35/98/943453598.db2.gz BSZBKHIVCIVXFR-MQSCRBSSSA-N 2 0 365.521 3.655 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264572 943455492 /nfs/dbraw/zinc/45/54/92/943455492.db2.gz ABOCIVGOFRZCJD-XAUMDUMWSA-N 2 0 364.555 3.571 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c2ccccc21 ZINC000423293374 943465928 /nfs/dbraw/zinc/46/59/28/943465928.db2.gz RDEPKSOLDNVWOO-LPTQZCDUSA-N 2 0 352.478 3.978 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000423293467 943466141 /nfs/dbraw/zinc/46/61/41/943466141.db2.gz RKKLDXSSFKFLDK-HUUCEWRRSA-N 2 0 352.482 3.841 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423267434 943466773 /nfs/dbraw/zinc/46/67/73/943466773.db2.gz DZNNWPVEQAHZHR-KDOFPFPSSA-N 2 0 351.332 3.750 20 0 FHADRP Brc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423267433 943466804 /nfs/dbraw/zinc/46/68/04/943466804.db2.gz DZNNWPVEQAHZHR-KBXCAEBGSA-N 2 0 351.332 3.750 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000515063753 943482430 /nfs/dbraw/zinc/48/24/30/943482430.db2.gz ZJJQNGJUMVSYEZ-UXHICEINSA-N 2 0 360.505 3.823 20 0 FHADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CC2([NH3+])CCC2)nc1 ZINC000423333000 943482533 /nfs/dbraw/zinc/48/25/33/943482533.db2.gz PQQRLIJRKDPTHP-HXUWFJFHSA-N 2 0 357.929 3.922 20 0 FHADRP Brc1cccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423368555 943493803 /nfs/dbraw/zinc/49/38/03/943493803.db2.gz RZKQHTLGQYPHFX-MSOLQXFVSA-N 2 0 367.331 3.649 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370836 943494442 /nfs/dbraw/zinc/49/44/42/943494442.db2.gz FYDUMOILJXBUCX-KRWDZBQOSA-N 2 0 361.258 3.969 20 0 FHADRP COCC1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]CC1 ZINC000423395641 943500823 /nfs/dbraw/zinc/50/08/23/943500823.db2.gz ALWUYRZSDLPRJO-AEFFLSMTSA-N 2 0 370.459 3.947 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)CC[NH2+]CC1 ZINC000423407013 943508770 /nfs/dbraw/zinc/50/87/70/943508770.db2.gz LMOYQQPXCRNAAG-AWEZNQCLSA-N 2 0 358.498 3.711 20 0 FHADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1Br ZINC000423410113 943509944 /nfs/dbraw/zinc/50/99/44/943509944.db2.gz RHKJLOUUPRTEHK-INIZCTEOSA-N 2 0 355.320 3.506 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423449654 943514331 /nfs/dbraw/zinc/51/43/31/943514331.db2.gz GOBHHGLRSWUDKI-GHMZBOCLSA-N 2 0 365.827 3.793 20 0 FHADRP COC[C@@]1(CN[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430027 943516804 /nfs/dbraw/zinc/51/68/04/943516804.db2.gz PGHLNTMTYMNTFS-UWJYYQICSA-N 2 0 371.550 3.854 20 0 FHADRP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423434977 943518594 /nfs/dbraw/zinc/51/85/94/943518594.db2.gz KYXXKAUPXXBKDV-PCCBWWKXSA-N 2 0 355.913 3.997 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482502 943520972 /nfs/dbraw/zinc/52/09/72/943520972.db2.gz XWOXEMUZJOJLGV-KOUHRCEDSA-N 2 0 370.516 3.568 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423460743 943522136 /nfs/dbraw/zinc/52/21/36/943522136.db2.gz NHQBONGWHQNEQP-DWIPRVAHSA-N 2 0 365.315 3.768 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423464143 943523168 /nfs/dbraw/zinc/52/31/68/943523168.db2.gz GRPDCWBEKPBRPR-XNRPHZJLSA-N 2 0 353.304 3.770 20 0 FHADRP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624176 943526045 /nfs/dbraw/zinc/52/60/45/943526045.db2.gz WVNWPFJFGPLASW-LJQANCHMSA-N 2 0 351.494 3.756 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474422 943526300 /nfs/dbraw/zinc/52/63/00/943526300.db2.gz OTZTZRLZERQEGD-PLMTUMEDSA-N 2 0 369.484 3.526 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1csc(-c2ccccc2)n1 ZINC000423500372 943529771 /nfs/dbraw/zinc/52/97/71/943529771.db2.gz ACUBQPWEJOEEAU-IPJUCJBFSA-N 2 0 370.566 3.677 20 0 FHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423502512 943530424 /nfs/dbraw/zinc/53/04/24/943530424.db2.gz FCEGKURVUBWYDM-KMFTYDHNSA-N 2 0 359.558 3.588 20 0 FHADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423507352 943532473 /nfs/dbraw/zinc/53/24/73/943532473.db2.gz QAAXOPOCFWGEOR-CYFREDJKSA-N 2 0 365.565 3.934 20 0 FHADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423490908 943535128 /nfs/dbraw/zinc/53/51/28/943535128.db2.gz IUIWYCSAFHVSGD-LNLFQRSKSA-N 2 0 364.493 3.691 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423494040 943537000 /nfs/dbraw/zinc/53/70/00/943537000.db2.gz CPYLDSXOWCJTHB-JEBQAFNWSA-N 2 0 367.331 3.634 20 0 FHADRP FC(F)(F)c1cccc(C2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000423496525 943537525 /nfs/dbraw/zinc/53/75/25/943537525.db2.gz WUWYETJXIYQQSU-UYJHFMRCSA-N 2 0 356.432 3.700 20 0 FHADRP CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496109 943537817 /nfs/dbraw/zinc/53/78/17/943537817.db2.gz DFUOXKXZQMKPIC-JTSKRJEESA-N 2 0 355.526 3.540 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528439 943538596 /nfs/dbraw/zinc/53/85/96/943538596.db2.gz ODMAFCJXLNWHNH-WGDAXPMKSA-N 2 0 353.554 3.565 20 0 FHADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000423513574 943542118 /nfs/dbraw/zinc/54/21/18/943542118.db2.gz VIXWZXHBEDRZDX-GCJKJVERSA-N 2 0 353.510 3.654 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423538023 943550914 /nfs/dbraw/zinc/55/09/14/943550914.db2.gz LVOFVCXVRUAQLU-RJGXRXQPSA-N 2 0 353.554 3.577 20 0 FHADRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000417368852 943550922 /nfs/dbraw/zinc/55/09/22/943550922.db2.gz OWSYZSDDZZTVJI-LEWJYISDSA-N 2 0 371.569 3.688 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCCO2 ZINC000423538434 943551141 /nfs/dbraw/zinc/55/11/41/943551141.db2.gz GJDBBTIVWLBFGD-GKLJAUDBSA-N 2 0 365.315 3.641 20 0 FHADRP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538397 943551200 /nfs/dbraw/zinc/55/12/00/943551200.db2.gz MTCHVJJINCDGEP-MRXNPFEDSA-N 2 0 355.707 3.989 20 0 FHADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423543165 943552677 /nfs/dbraw/zinc/55/26/77/943552677.db2.gz BOHXVUOVTJFMKX-IBGZPJMESA-N 2 0 367.537 3.648 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423542510 943552740 /nfs/dbraw/zinc/55/27/40/943552740.db2.gz GONJKCJWKFGUJZ-NTDBWNAOSA-N 2 0 363.343 3.748 20 0 FHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)c1 ZINC000423545831 943553456 /nfs/dbraw/zinc/55/34/56/943553456.db2.gz PLLJGLCMOFPGFQ-GNXKAVGDSA-N 2 0 350.506 3.957 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CCC2 ZINC000423548075 943554074 /nfs/dbraw/zinc/55/40/74/943554074.db2.gz DOUIRFFVYRWZTA-QGZVFWFLSA-N 2 0 369.578 3.881 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423548268 943554116 /nfs/dbraw/zinc/55/41/16/943554116.db2.gz MKBNGCFRIOCOBO-JBBSTSQOSA-N 2 0 353.279 3.553 20 0 FHADRP NC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423569087 943559342 /nfs/dbraw/zinc/55/93/42/943559342.db2.gz MSSLISBBBBWACV-NRFANRHFSA-N 2 0 369.940 3.910 20 0 FHADRP CCOc1ccccc1[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578734 943562404 /nfs/dbraw/zinc/56/24/04/943562404.db2.gz UWZCPOWDNHAUTE-IBGZPJMESA-N 2 0 367.537 3.729 20 0 FHADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)CC[NH2+]1 ZINC000414752099 943566327 /nfs/dbraw/zinc/56/63/27/943566327.db2.gz JYXFCCKREHDDMA-ADAWSYLGSA-N 2 0 367.331 3.599 20 0 FHADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)c1 ZINC000435726757 943570739 /nfs/dbraw/zinc/57/07/39/943570739.db2.gz RTKWCSKDFMJDKQ-CTXDPNEZSA-N 2 0 366.509 3.796 20 0 FHADRP COc1cccc(CCC[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435736228 943589141 /nfs/dbraw/zinc/58/91/41/943589141.db2.gz VFQJZFLZXCTZLJ-SFHVURJKSA-N 2 0 359.539 3.504 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000515239409 943590819 /nfs/dbraw/zinc/59/08/19/943590819.db2.gz DYKNEPLCKAMILB-QHAWAJNXSA-N 2 0 355.526 3.778 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962254 943649942 /nfs/dbraw/zinc/64/99/42/943649942.db2.gz DQZDCPILNWALBD-SFTDATJTSA-N 2 0 357.542 3.521 20 0 FHADRP Cc1cc(F)c(CNCc2cccc(CN3CCO[C@H](C)C3)c2)c(F)c1 ZINC000424156703 943765818 /nfs/dbraw/zinc/76/58/18/943765818.db2.gz OQFANEIYIPNCMH-MRXNPFEDSA-N 2 0 360.448 3.784 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1c(-c3ccccc3)nc3ccccn31)CC[NH2+]CC2 ZINC000424289641 943820294 /nfs/dbraw/zinc/82/02/94/943820294.db2.gz MFOZGQFZCXGPFF-GOSISDBHSA-N 2 0 360.505 3.965 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424302498 943822454 /nfs/dbraw/zinc/82/24/54/943822454.db2.gz ZRGWYJZJMJWFSS-OAHLLOKOSA-N 2 0 357.523 3.783 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873185 943838130 /nfs/dbraw/zinc/83/81/30/943838130.db2.gz ULQYIEVLGQMBMO-QUCCMNQESA-N 2 0 357.542 3.593 20 0 FHADRP [NH3+]C[C@H](C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1 ZINC000424307994 943854862 /nfs/dbraw/zinc/85/48/62/943854862.db2.gz ZAHNVQIVVUTJJN-QGZVFWFLSA-N 2 0 352.457 3.624 20 0 FHADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000424339833 943871978 /nfs/dbraw/zinc/87/19/78/943871978.db2.gz WTAOLAMBEBMWGD-WOJBJXKFSA-N 2 0 353.466 3.667 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000516975151 943876224 /nfs/dbraw/zinc/87/62/24/943876224.db2.gz OYADMLQKNDEKIC-WMZHIEFXSA-N 3 0 351.538 3.891 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000516975152 943876408 /nfs/dbraw/zinc/87/64/08/943876408.db2.gz OYADMLQKNDEKIC-XXBNENTESA-N 3 0 351.538 3.891 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000417804704 943884477 /nfs/dbraw/zinc/88/44/77/943884477.db2.gz XXKRNPKYSRHGBV-UXHICEINSA-N 2 0 353.510 3.652 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N(C)c3ccccc3)nc1)CC[NH2+]CC2 ZINC000424375076 943886155 /nfs/dbraw/zinc/88/61/55/943886155.db2.gz JHHZKNPQNVGHPB-GOSISDBHSA-N 2 0 350.510 3.814 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1OCc1cccnc1)CC[NH2+]CC2 ZINC000424386472 943894495 /nfs/dbraw/zinc/89/44/95/943894495.db2.gz XDJPJRFJRQMOMJ-GOSISDBHSA-N 2 0 351.494 3.625 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414786151 943905636 /nfs/dbraw/zinc/90/56/36/943905636.db2.gz UEPDFOZYRBBYOB-PMACEKPBSA-N 2 0 350.510 3.671 20 0 FHADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001207486012 943915326 /nfs/dbraw/zinc/91/53/26/943915326.db2.gz AYZNKZUKTMTRRC-KRWDZBQOSA-N 2 0 351.332 3.970 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000424428879 943923026 /nfs/dbraw/zinc/92/30/26/943923026.db2.gz VHJFLYPAYMPWQB-NRFANRHFSA-N 2 0 368.525 3.732 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417973410 944027229 /nfs/dbraw/zinc/02/72/29/944027229.db2.gz CKXMJXQAGWVKQA-VABKMULXSA-N 2 0 350.506 3.537 20 0 FHADRP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894814 944092377 /nfs/dbraw/zinc/09/23/77/944092377.db2.gz HLUQSSMVVFUCMF-RCZSKKKRSA-N 2 0 369.509 3.583 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)cc1 ZINC000414813582 944097425 /nfs/dbraw/zinc/09/74/25/944097425.db2.gz UASUTZKBPMNVBW-LBPRGKRZSA-N 2 0 362.399 3.902 20 0 FHADRP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898559 944118152 /nfs/dbraw/zinc/11/81/52/944118152.db2.gz ZHQQULOPONCKAU-KNQAVFIVSA-N 2 0 369.509 3.930 20 0 FHADRP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898561 944118188 /nfs/dbraw/zinc/11/81/88/944118188.db2.gz ZHQQULOPONCKAU-UGKGYDQZSA-N 2 0 369.509 3.930 20 0 FHADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2ccccc2)cc1OC ZINC000414913783 944125652 /nfs/dbraw/zinc/12/56/52/944125652.db2.gz WSQDOYWLTMDCME-UHFFFAOYSA-N 2 0 354.494 3.850 20 0 FHADRP Fc1cccc2[nH]c(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cc21 ZINC000436239119 944126345 /nfs/dbraw/zinc/12/63/45/944126345.db2.gz LGNOASXITKWBCY-GOSISDBHSA-N 2 0 351.469 3.961 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000517258266 944153292 /nfs/dbraw/zinc/15/32/92/944153292.db2.gz ZDALLIADHGBJQF-LEWJYISDSA-N 2 0 353.510 3.838 20 0 FHADRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364249680 944154242 /nfs/dbraw/zinc/15/42/42/944154242.db2.gz HMJNACQWGKEKIW-XLIONFOSSA-N 2 0 368.529 3.563 20 0 FHADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000191473724 944184454 /nfs/dbraw/zinc/18/44/54/944184454.db2.gz KOEVHRPSBOGTSD-UHFFFAOYSA-N 2 0 356.514 3.920 20 0 FHADRP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000515756407 944184932 /nfs/dbraw/zinc/18/49/32/944184932.db2.gz BTIVLBJNHGLOOT-ZWKOTPCHSA-N 2 0 359.558 3.844 20 0 FHADRP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000515757374 944185697 /nfs/dbraw/zinc/18/56/97/944185697.db2.gz CKLPQOBRPDEJGS-UFYCRDLUSA-N 2 0 373.585 3.805 20 0 FHADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000515838431 944256546 /nfs/dbraw/zinc/25/65/46/944256546.db2.gz WZVPQYMRMZVLJH-RTWAWAEBSA-N 2 0 357.542 3.586 20 0 FHADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414975501 944266279 /nfs/dbraw/zinc/26/62/79/944266279.db2.gz OQSLDTOFCRYKMV-HNNXBMFYSA-N 2 0 353.913 3.565 20 0 FHADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000894568146 944267515 /nfs/dbraw/zinc/26/75/15/944267515.db2.gz ZJOPEQJSIUCQEZ-MSRNWOCLSA-N 2 0 365.562 3.581 20 0 FHADRP O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1)C1CCCC1 ZINC001167975162 944273950 /nfs/dbraw/zinc/27/39/50/944273950.db2.gz JRSDEAUFGYWHJT-BSWHZDNUSA-N 2 0 373.585 3.599 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000436403160 944280082 /nfs/dbraw/zinc/28/00/82/944280082.db2.gz GRUZENUVQPRTTG-PZJWPPBQSA-N 2 0 353.510 3.523 20 0 FHADRP FC(F)(F)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167960760 944282422 /nfs/dbraw/zinc/28/24/22/944282422.db2.gz BTHHFEAURIBXMX-ALOPSCKCSA-N 2 0 353.432 3.638 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1)C(C)C ZINC000101629136 944286181 /nfs/dbraw/zinc/28/61/81/944286181.db2.gz VHEDXLAKRJXXBS-UHFFFAOYSA-N 2 0 367.537 3.909 20 0 FHADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475102 944287672 /nfs/dbraw/zinc/28/76/72/944287672.db2.gz SFNWXMYQYQWEOZ-XSDIEEQYSA-N 2 0 363.590 3.752 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000439086459 944325714 /nfs/dbraw/zinc/32/57/14/944325714.db2.gz OPOPRFASZMNGHC-QGZVFWFLSA-N 2 0 361.530 3.816 20 0 FHADRP CCC1(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000500249065 944330925 /nfs/dbraw/zinc/33/09/25/944330925.db2.gz IYULTUGJEMPTLX-CTNGQTDRSA-N 2 0 355.570 3.894 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414982999 944353855 /nfs/dbraw/zinc/35/38/55/944353855.db2.gz ZQPDHHVXDWULEH-HXUWFJFHSA-N 2 0 360.546 3.552 20 0 FHADRP C[C@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438124135 944354218 /nfs/dbraw/zinc/35/42/18/944354218.db2.gz FKYXOESUFTYAES-HXUWFJFHSA-N 2 0 369.528 3.679 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2cccc(Br)n12 ZINC001167753207 944370798 /nfs/dbraw/zinc/37/07/98/944370798.db2.gz MMCCKFKMUGYQPE-CYBMUJFWSA-N 2 0 351.292 3.773 20 0 FHADRP Cn1nccc1CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838204 944401849 /nfs/dbraw/zinc/40/18/49/944401849.db2.gz RROYWSJVLAHVLR-JOCHJYFZSA-N 2 0 366.553 3.585 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301099 944413096 /nfs/dbraw/zinc/41/30/96/944413096.db2.gz LLSRIXJEMMBNNH-AEFFLSMTSA-N 2 0 358.555 3.704 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000426303197 944417122 /nfs/dbraw/zinc/41/71/22/944417122.db2.gz WSYWYZJQTOPYDX-PKOBYXMFSA-N 2 0 371.500 3.696 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000438212301 944417951 /nfs/dbraw/zinc/41/79/51/944417951.db2.gz HILXNJMAQJJPPS-SJORKVTESA-N 2 0 358.448 3.880 20 0 FHADRP O=C1OCCCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167979135 944436301 /nfs/dbraw/zinc/43/63/01/944436301.db2.gz WFCHDVVJZRFRAT-VCSGRIEYSA-N 2 0 369.509 3.528 20 0 FHADRP [NH3+]C1(c2ccc(Cl)cc2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167978674 944444789 /nfs/dbraw/zinc/44/47/89/944444789.db2.gz QUVGFPMMRYKHKU-WCRBZPEASA-N 2 0 373.972 3.995 20 0 FHADRP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000390552979 944446292 /nfs/dbraw/zinc/44/62/92/944446292.db2.gz DVXOITURFOVLPB-OAQYLSRUSA-N 2 0 365.565 3.804 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000426323222 944456631 /nfs/dbraw/zinc/45/66/31/944456631.db2.gz BUPAVVBZTDXJLB-PKOBYXMFSA-N 2 0 371.500 3.696 20 0 FHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000518515388 944458170 /nfs/dbraw/zinc/45/81/70/944458170.db2.gz YOZZNWPSIMIQMC-SIKLNZKXSA-N 2 0 371.569 3.540 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418357555 944463123 /nfs/dbraw/zinc/46/31/23/944463123.db2.gz QWQFBVZTCDYANJ-RTWAWAEBSA-N 2 0 368.525 3.589 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000652033807 944471489 /nfs/dbraw/zinc/47/14/89/944471489.db2.gz NHGXKCJTIOLEIR-YADHBBJMSA-N 2 0 354.494 3.637 20 0 FHADRP CC(C)(C)OC(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1 ZINC001167981813 944490517 /nfs/dbraw/zinc/49/05/17/944490517.db2.gz LJBQTYQQSKLHRH-YQQQUEKLSA-N 2 0 362.558 3.884 20 0 FHADRP CCC[NH+]1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000193391089 944498315 /nfs/dbraw/zinc/49/83/15/944498315.db2.gz JIGCVYITSBKNSW-SFHVURJKSA-N 2 0 353.551 3.534 20 0 FHADRP CCN(CCC[NH+](C)C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000516118183 944502425 /nfs/dbraw/zinc/50/24/25/944502425.db2.gz UHMOUKVHGQVVNL-UHFFFAOYSA-N 2 0 368.447 3.724 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(CSC)c2)CC1 ZINC000438369646 944540450 /nfs/dbraw/zinc/54/04/50/944540450.db2.gz ZKRVYPWHTOECEI-UHFFFAOYSA-N 2 0 369.578 3.981 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694502 944553794 /nfs/dbraw/zinc/55/37/94/944553794.db2.gz JTPZGUIUDIFJFY-WEYGHZABSA-N 2 0 361.493 3.611 20 0 FHADRP COC(=O)CCC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982843 944562812 /nfs/dbraw/zinc/56/28/12/944562812.db2.gz CEVXVLAFWXKZPT-CBQGHPETSA-N 2 0 370.537 3.847 20 0 FHADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000439361649 944564367 /nfs/dbraw/zinc/56/43/67/944564367.db2.gz SVQZGDNJRCBWGI-UHFFFAOYSA-N 2 0 372.557 3.665 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201031 944572070 /nfs/dbraw/zinc/57/20/70/944572070.db2.gz PYXNWDOWVDYTKX-XZOQPEGZSA-N 2 0 355.570 3.705 20 0 FHADRP CSCC1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000390625964 944582096 /nfs/dbraw/zinc/58/20/96/944582096.db2.gz DCJDCWSKAAJBOE-CBNMVNINSA-N 2 0 362.583 3.789 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000414997481 944583008 /nfs/dbraw/zinc/58/30/08/944583008.db2.gz HJTKLNDJBAOCJL-FXAWDEMLSA-N 2 0 361.493 3.541 20 0 FHADRP C[C@@H]1C[N@@H+](CCC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@H](C)O1 ZINC000426392486 944639865 /nfs/dbraw/zinc/63/98/65/944639865.db2.gz AOCVHPHJABYPKI-HDICACEKSA-N 2 0 353.510 3.951 20 0 FHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418465776 944651039 /nfs/dbraw/zinc/65/10/39/944651039.db2.gz QPOPDBOWTNPQIE-GOSISDBHSA-N 2 0 360.546 3.504 20 0 FHADRP C[NH+](C)CC1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000506868201 944685755 /nfs/dbraw/zinc/68/57/55/944685755.db2.gz QYEQTAFWJMQNQY-UHFFFAOYSA-N 2 0 366.553 3.999 20 0 FHADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390684505 944712638 /nfs/dbraw/zinc/71/26/38/944712638.db2.gz XHNBDLCGYSMFEP-LQCXBHPOSA-N 2 0 352.526 3.693 20 0 FHADRP CCC(CC)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000426416094 944728855 /nfs/dbraw/zinc/72/88/55/944728855.db2.gz GNYMUCUHEXHREU-XLIONFOSSA-N 2 0 357.542 3.639 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000518777831 944737100 /nfs/dbraw/zinc/73/71/00/944737100.db2.gz ZNXWRGKWBLOHSP-UHFFFAOYSA-N 2 0 366.427 3.978 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)CCC(F)(F)F ZINC000426058588 944764814 /nfs/dbraw/zinc/76/48/14/944764814.db2.gz MFEILWMIQVWJDV-FUHWJXTLSA-N 2 0 363.512 3.893 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000438560522 944769665 /nfs/dbraw/zinc/76/96/65/944769665.db2.gz GKHUALWUXCZCEB-JOCHJYFZSA-N 2 0 365.521 3.784 20 0 FHADRP CSc1cc(Br)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506932942 944774468 /nfs/dbraw/zinc/77/44/68/944774468.db2.gz UPNVCXPVHXDBDS-UHFFFAOYSA-N 2 0 357.361 3.945 20 0 FHADRP C[C@@H]1CCC[C@](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000516395544 944814798 /nfs/dbraw/zinc/81/47/98/944814798.db2.gz BNXOGXNGHNCSNZ-XXBNENTESA-N 2 0 371.569 3.525 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)COCc1ccccc1 ZINC000500414707 944820526 /nfs/dbraw/zinc/82/05/26/944820526.db2.gz IKZKZBYWHVTJMC-UHFFFAOYSA-N 2 0 350.466 3.661 20 0 FHADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000195203626 944826688 /nfs/dbraw/zinc/82/66/88/944826688.db2.gz JUSFHMWJPIVKRG-OXQOHEQNSA-N 2 0 355.567 3.590 20 0 FHADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCC1 ZINC000505925388 944899186 /nfs/dbraw/zinc/89/91/86/944899186.db2.gz SEQMEZBPWNHIEF-QHAWAJNXSA-N 2 0 363.590 3.610 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OCc1ccccc1 ZINC000414941728 944921124 /nfs/dbraw/zinc/92/11/24/944921124.db2.gz LWYIPJHQWZUKIE-YLJYHZDGSA-N 2 0 354.494 3.752 20 0 FHADRP CC1CC[NH+](C2CCC(NC(=O)C3(C[NH+](C)C)CCCCC3)CC2)CC1 ZINC000426963401 944967630 /nfs/dbraw/zinc/96/76/30/944967630.db2.gz HHNXEJPXJDWGRE-UHFFFAOYSA-N 2 0 363.590 3.658 20 0 FHADRP CCC1(C)CC[NH+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000507182703 945013417 /nfs/dbraw/zinc/01/34/17/945013417.db2.gz NETOGEIXJARRTQ-UHFFFAOYSA-N 2 0 371.569 3.588 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414950701 945014581 /nfs/dbraw/zinc/01/45/81/945014581.db2.gz GILUWCPIHMSXIW-RNCFNFMXSA-N 2 0 351.210 3.556 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097252 945016754 /nfs/dbraw/zinc/01/67/54/945016754.db2.gz PDJJNWKJZDTZNU-DXIQSLLYSA-N 2 0 355.570 3.928 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415004985 945018496 /nfs/dbraw/zinc/01/84/96/945018496.db2.gz OMSQXMPEMNNFBZ-XBYSBRQOSA-N 2 0 367.512 3.602 20 0 FHADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000439844814 945023973 /nfs/dbraw/zinc/02/39/73/945023973.db2.gz WJPYWYGSOKGQJB-PZJWPPBQSA-N 2 0 361.574 3.508 20 0 FHADRP Cc1c(Cl)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc2ccccc12 ZINC000516556768 945024758 /nfs/dbraw/zinc/02/47/58/945024758.db2.gz SALCDFPQYDWPBD-DYESRHJHSA-N 2 0 373.928 3.915 20 0 FHADRP [NH3+]CC1(F)CC[NH+](Cc2sc3ccccc3c2Br)CC1 ZINC001222553592 945024763 /nfs/dbraw/zinc/02/47/63/945024763.db2.gz YLDVTPIVNBEQQG-UHFFFAOYSA-N 2 0 357.292 3.927 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(OC)cc32)[C@@H](C)C1 ZINC000467353177 945051879 /nfs/dbraw/zinc/05/18/79/945051879.db2.gz IYSMJBZMKCUUEF-YSSFQJQWSA-N 2 0 364.505 3.548 20 0 FHADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440276884 945370032 /nfs/dbraw/zinc/37/00/32/945370032.db2.gz ODUWOBPAKWEREP-KNQAVFIVSA-N 2 0 369.553 3.516 20 0 FHADRP c1ccc(CCOCCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660675484 945381971 /nfs/dbraw/zinc/38/19/71/945381971.db2.gz FLHWRIAGKDGOFT-UHFFFAOYSA-N 2 0 352.522 3.890 20 0 FHADRP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000415012791 945479227 /nfs/dbraw/zinc/47/92/27/945479227.db2.gz XKLMKSAAYWGABL-AZUAARDMSA-N 2 0 372.484 3.716 20 0 FHADRP COc1ccccc1/C=C\C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507713935 945488624 /nfs/dbraw/zinc/48/86/24/945488624.db2.gz MRUUVNKKIPXEAE-YVMONPNESA-N 2 0 358.526 3.533 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000281057012 945512095 /nfs/dbraw/zinc/51/20/95/945512095.db2.gz RKIISADFHCQTLM-UHFFFAOYSA-N 2 0 358.526 3.705 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C2CC2)c1 ZINC000519654991 945604715 /nfs/dbraw/zinc/60/47/15/945604715.db2.gz LFULUKQNGWKIQN-KRWDZBQOSA-N 2 0 350.510 3.562 20 0 FHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187783829 945609406 /nfs/dbraw/zinc/60/94/06/945609406.db2.gz UBEFJFZBJVQQBU-YYDVJCTNSA-N 2 0 374.569 3.696 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416432 945683791 /nfs/dbraw/zinc/68/37/91/945683791.db2.gz IZHMLZBZKOACCQ-MTURHBOBSA-N 2 0 363.496 3.703 20 0 FHADRP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001279247259 945710157 /nfs/dbraw/zinc/71/01/57/945710157.db2.gz IXFVFQUXZDRVRU-UHFFFAOYSA-N 2 0 371.550 3.818 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651706219 945728636 /nfs/dbraw/zinc/72/86/36/945728636.db2.gz XAGUYDHBHLUWJG-IBGZPJMESA-N 2 0 366.553 3.673 20 0 FHADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110820243 945740931 /nfs/dbraw/zinc/74/09/31/945740931.db2.gz INKZRBDCKHUCNQ-SFHVURJKSA-N 2 0 351.332 3.770 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000519793442 945747227 /nfs/dbraw/zinc/74/72/27/945747227.db2.gz QOAVFCBXNLJOIC-HNNXBMFYSA-N 2 0 360.448 3.739 20 0 FHADRP c1c2cnccc2oc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651712578 945750533 /nfs/dbraw/zinc/75/05/33/945750533.db2.gz KXAFRRNGRBSADC-UHFFFAOYSA-N 2 0 351.450 3.592 20 0 FHADRP CCC(CC)(CNC(=O)c1cc(C(C)(C)[NH3+])no1)[NH2+][C@H](C)c1ccccc1 ZINC000662730948 945830589 /nfs/dbraw/zinc/83/05/89/945830589.db2.gz VXIHOMMRSADZIO-OAHLLOKOSA-N 2 0 372.513 3.508 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700507 945922346 /nfs/dbraw/zinc/92/23/46/945922346.db2.gz FLBHWXAFKCYAEN-QFBILLFUSA-N 2 0 369.509 3.953 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544374544 945936170 /nfs/dbraw/zinc/93/61/70/945936170.db2.gz USVYETLIZJSNTQ-CRAIPNDOSA-N 2 0 365.949 3.760 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)CC1 ZINC000651797353 945951672 /nfs/dbraw/zinc/95/16/72/945951672.db2.gz MFRGSDICFXWTIQ-UHFFFAOYSA-N 2 0 351.450 3.591 20 0 FHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000188114441 945972957 /nfs/dbraw/zinc/97/29/57/945972957.db2.gz OMHQPRDWHLSNLO-YADHBBJMSA-N 2 0 360.542 3.593 20 0 FHADRP CC(C)C(=O)NC1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168050984 945973097 /nfs/dbraw/zinc/97/30/97/945973097.db2.gz DZHLVHFHPYXJHO-RTBURBONSA-N 2 0 371.569 3.665 20 0 FHADRP Clc1cc(Br)ccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000645504401 945979407 /nfs/dbraw/zinc/97/94/07/945979407.db2.gz IYVJZUZQYYYPQC-GJZGRUSLSA-N 2 0 357.723 3.861 20 0 FHADRP CCc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2[nH+]1 ZINC000301815279 945981664 /nfs/dbraw/zinc/98/16/64/945981664.db2.gz ZRYIMEIBGRNDHL-UHFFFAOYSA-N 2 0 361.493 3.556 20 0 FHADRP CCSc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925095484 946045935 /nfs/dbraw/zinc/04/59/35/946045935.db2.gz UJBYIXJDKMXOJO-ROUUACIJSA-N 2 0 362.583 3.820 20 0 FHADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000522891766 946064792 /nfs/dbraw/zinc/06/47/92/946064792.db2.gz HWLOVPKQKVEFIS-CNNODRBYSA-N 2 0 371.569 3.655 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825198 946074292 /nfs/dbraw/zinc/07/42/92/946074292.db2.gz FJCBFQKSRBRKSG-GCJKJVERSA-N 2 0 369.553 3.724 20 0 FHADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000651866130 946117452 /nfs/dbraw/zinc/11/74/52/946117452.db2.gz VXBLFPRHRANFSA-UHFFFAOYSA-N 2 0 365.949 3.512 20 0 FHADRP CC(C)O[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000651897571 946196421 /nfs/dbraw/zinc/19/64/21/946196421.db2.gz DTXLOAKLLIBTIN-NRFANRHFSA-N 2 0 359.558 3.606 20 0 FHADRP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054814 946278099 /nfs/dbraw/zinc/27/80/99/946278099.db2.gz UIQLNLHILPFKQN-IRMYBRCSSA-N 2 0 355.570 3.988 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752164 946309841 /nfs/dbraw/zinc/30/98/41/946309841.db2.gz UVEPHRFFUJBWCL-QFBILLFUSA-N 2 0 369.509 3.953 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000154440854 946347760 /nfs/dbraw/zinc/34/77/60/946347760.db2.gz ITUZOLVAHAJZHX-QGZVFWFLSA-N 2 0 356.341 3.598 20 0 FHADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C1CC1 ZINC000441278029 946390429 /nfs/dbraw/zinc/39/04/29/946390429.db2.gz MDFQSXAAHBVBFI-UHFFFAOYSA-N 2 0 357.542 3.552 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970791 946397333 /nfs/dbraw/zinc/39/73/33/946397333.db2.gz BIGBHJXFFSQAMZ-ZIAGYGMSSA-N 2 0 370.324 3.644 20 0 FHADRP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840778430 946402554 /nfs/dbraw/zinc/40/25/54/946402554.db2.gz BMNYRYMCWRWVHG-SJLPKXTDSA-N 2 0 358.486 3.507 20 0 FHADRP CCN(CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000475137162 946456525 /nfs/dbraw/zinc/45/65/25/946456525.db2.gz JGZFUQGAPROEKY-UHFFFAOYSA-N 2 0 372.479 3.504 20 0 FHADRP O=C(NCCCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520349792 946461270 /nfs/dbraw/zinc/46/12/70/946461270.db2.gz RAIISOBUODXQRY-UHFFFAOYSA-N 2 0 371.569 3.671 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000047973527 946472092 /nfs/dbraw/zinc/47/20/92/946472092.db2.gz UFLDUOTZVQQFAH-IBGZPJMESA-N 2 0 359.558 3.534 20 0 FHADRP CC(C)c1ccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000007518580 946596183 /nfs/dbraw/zinc/59/61/83/946596183.db2.gz JJBWNGQKKPCFDH-UHFFFAOYSA-N 2 0 364.603 3.712 20 0 FHADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000661775511 946619688 /nfs/dbraw/zinc/61/96/88/946619688.db2.gz TUMNRSUOEGVJDA-PKTZIBPZSA-N 2 0 366.553 3.907 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475553899 946635536 /nfs/dbraw/zinc/63/55/36/946635536.db2.gz GWFVXPZUHRBINL-FAEJEUNOSA-N 2 0 363.933 3.972 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+][C@H](CO)CCF)c2ccc(F)cc2)CC1 ZINC000652301932 946651667 /nfs/dbraw/zinc/65/16/67/946651667.db2.gz KPWWWSDPISZOAB-VQTJNVASSA-N 2 0 354.485 3.689 20 0 FHADRP C[C@H]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655720130 946765711 /nfs/dbraw/zinc/76/57/11/946765711.db2.gz ZWEDZJAXPVMUQT-ICSRJNTNSA-N 2 0 362.583 3.931 20 0 FHADRP Cc1nnc(C2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)o1 ZINC001168060342 946784363 /nfs/dbraw/zinc/78/43/63/946784363.db2.gz WSUJTTLRLZTMCA-IAGOWNOFSA-N 2 0 368.525 3.999 20 0 FHADRP COc1cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000475272519 946807853 /nfs/dbraw/zinc/80/78/53/946807853.db2.gz YOXVXZLHGKQSLF-IBGZPJMESA-N 2 0 354.494 3.624 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)co2)cc1 ZINC000647976646 946889859 /nfs/dbraw/zinc/88/98/59/946889859.db2.gz RNWHXJAERJSXIR-MSOLQXFVSA-N 2 0 355.482 3.562 20 0 FHADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164609399 946890381 /nfs/dbraw/zinc/89/03/81/946890381.db2.gz RZVDFONNKULGAC-INIZCTEOSA-N 2 0 366.937 3.698 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000523131645 946896732 /nfs/dbraw/zinc/89/67/32/946896732.db2.gz IZCCDCQMQFLGKM-UHFFFAOYSA-N 2 0 374.573 3.592 20 0 FHADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652364062 946932293 /nfs/dbraw/zinc/93/22/93/946932293.db2.gz WIILFSKEZCRRDM-CGTJXYLNSA-N 2 0 361.511 3.572 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511921973 947007112 /nfs/dbraw/zinc/00/71/12/947007112.db2.gz JDJQBBFLGWAACR-HQMUEHRGSA-N 2 0 372.459 3.725 20 0 FHADRP COC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000475428273 947072780 /nfs/dbraw/zinc/07/27/80/947072780.db2.gz JQXQDMVUFCTMHB-UHFFFAOYSA-N 2 0 373.585 3.902 20 0 FHADRP CCOc1c(Cl)cc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000245781464 947221962 /nfs/dbraw/zinc/22/19/62/947221962.db2.gz UJQZQXGDDRFWFI-YOEHRIQHSA-N 2 0 354.922 3.909 20 0 FHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC(C)(C)c4ccccc43)cn2)CC1 ZINC000550402587 947256266 /nfs/dbraw/zinc/25/62/66/947256266.db2.gz YMAUAYQUGBBLLN-NRFANRHFSA-N 2 0 364.537 3.736 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000247072926 947260762 /nfs/dbraw/zinc/26/07/62/947260762.db2.gz QHNLTEFHUFVQJA-RBSFLKMASA-N 2 0 374.447 3.967 20 0 FHADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487474788 947320948 /nfs/dbraw/zinc/32/09/48/947320948.db2.gz YXFXVYJPXXWKEZ-QHCPKHFHSA-N 2 0 365.521 3.533 20 0 FHADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000909613066 947370134 /nfs/dbraw/zinc/37/01/34/947370134.db2.gz HAVULSRRAZBISW-UHFFFAOYSA-N 2 0 351.494 3.905 20 0 FHADRP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C1 ZINC000188592941 947495951 /nfs/dbraw/zinc/49/59/51/947495951.db2.gz MEMISBUKBQQFHL-VQTJNVASSA-N 2 0 371.525 3.654 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000520451873 947504829 /nfs/dbraw/zinc/50/48/29/947504829.db2.gz ALWHVJICXIHSRB-KBRIMQKVSA-N 2 0 371.447 3.885 20 0 FHADRP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)C(=O)Nc1ccccc1 ZINC000662257912 947676764 /nfs/dbraw/zinc/67/67/64/947676764.db2.gz RGCKTYNECKHRJC-QGZVFWFLSA-N 2 0 351.494 3.572 20 0 FHADRP OCCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCc2ccccc21 ZINC000662255690 947678347 /nfs/dbraw/zinc/67/83/47/947678347.db2.gz DGWVSSIILPWFQB-QHCPKHFHSA-N 2 0 350.506 3.594 20 0 FHADRP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264087 947682401 /nfs/dbraw/zinc/68/24/01/947682401.db2.gz RCWRFBSGOGTYDD-WMZHIEFXSA-N 2 0 363.549 3.817 20 0 FHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264586 947683875 /nfs/dbraw/zinc/68/38/75/947683875.db2.gz RIJUZZLELLXYAY-RDJZCZTQSA-N 2 0 357.523 3.632 20 0 FHADRP c1ccc(COc2cncc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c2)cc1 ZINC000662292257 947715059 /nfs/dbraw/zinc/71/50/59/947715059.db2.gz CPAULUANHWKJFE-QFIPXVFZSA-N 2 0 365.521 3.872 20 0 FHADRP O=C(c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000662292815 947715168 /nfs/dbraw/zinc/71/51/68/947715168.db2.gz OXDFSOMFNHXYQD-QFIPXVFZSA-N 2 0 369.553 3.524 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294027 947716012 /nfs/dbraw/zinc/71/60/12/947716012.db2.gz AEVSJKUWFJASEU-PKOBYXMFSA-N 2 0 357.542 3.849 20 0 FHADRP c1sc(Cc2ccccc2)nc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292638 947716213 /nfs/dbraw/zinc/71/62/13/947716213.db2.gz GRYSTSIAWAFNKT-IBGZPJMESA-N 2 0 355.551 3.946 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293297 947716735 /nfs/dbraw/zinc/71/67/35/947716735.db2.gz GCVRXOFIEHNVPW-IBGZPJMESA-N 2 0 357.542 3.769 20 0 FHADRP c1ccc(-n2nc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c3c2CCC3)cc1 ZINC000662295965 947721239 /nfs/dbraw/zinc/72/12/39/947721239.db2.gz JLDDWKBFRXYLNC-LJQANCHMSA-N 2 0 364.537 3.573 20 0 FHADRP O=C(c1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1)N1CCCCC1 ZINC000662296519 947722033 /nfs/dbraw/zinc/72/20/33/947722033.db2.gz LQWVIXCABXFEEH-JOCHJYFZSA-N 2 0 369.553 3.524 20 0 FHADRP C[C@@H](c1ccccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326978 947748127 /nfs/dbraw/zinc/74/81/27/947748127.db2.gz BXUGFODVXGIRSG-HNNXBMFYSA-N 2 0 356.489 3.956 20 0 FHADRP CSc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327798 947758605 /nfs/dbraw/zinc/75/86/05/947758605.db2.gz MRBDQLYUVIWWMN-UHFFFAOYSA-N 2 0 370.566 3.978 20 0 FHADRP c1c(C2CC[NH+](CCCOc3ccccc3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327560 947758704 /nfs/dbraw/zinc/75/87/04/947758704.db2.gz RZALYWWMTLHJRR-UHFFFAOYSA-N 2 0 368.525 3.525 20 0 FHADRP OC[C@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCc2ccccc21 ZINC000663355746 947834105 /nfs/dbraw/zinc/83/41/05/947834105.db2.gz FRXNATDKVJEHGO-HSZRJFAPSA-N 2 0 350.506 3.596 20 0 FHADRP CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000236786351 947860812 /nfs/dbraw/zinc/86/08/12/947860812.db2.gz CIAKCFXUFVSKIJ-UHFFFAOYSA-N 2 0 361.530 3.677 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280810822 947882869 /nfs/dbraw/zinc/88/28/69/947882869.db2.gz JDPMYQCDVCJAQM-HSZRJFAPSA-N 2 0 365.521 3.669 20 0 FHADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466146 948049900 /nfs/dbraw/zinc/04/99/00/948049900.db2.gz OOHFSTBRQCGBAV-DENIHFKCSA-N 2 0 364.537 3.961 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000663466602 948058350 /nfs/dbraw/zinc/05/83/50/948058350.db2.gz VYPKOXUQDUSAOY-QFBILLFUSA-N 2 0 360.542 3.655 20 0 FHADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472235 948068711 /nfs/dbraw/zinc/06/87/11/948068711.db2.gz ZXUSFJDOLUVBMJ-PXNSSMCTSA-N 2 0 357.542 3.732 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823771 948103021 /nfs/dbraw/zinc/10/30/21/948103021.db2.gz AABUVKFDSNKVBZ-KGLIPLIRSA-N 2 0 362.440 3.778 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824223 948104331 /nfs/dbraw/zinc/10/43/31/948104331.db2.gz CTOKMZMXKSOMHN-QZTJIDSGSA-N 2 0 355.567 3.734 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2ncc(Br)cc2C1 ZINC001167824682 948112852 /nfs/dbraw/zinc/11/28/52/948112852.db2.gz FGCXUKDCKTVMDB-AWEZNQCLSA-N 2 0 354.336 3.713 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001167825583 948125016 /nfs/dbraw/zinc/12/50/16/948125016.db2.gz RPXCNEDBQBAGSI-MDNUFGMLSA-N 3 0 357.586 3.869 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001167825696 948126783 /nfs/dbraw/zinc/12/67/83/948126783.db2.gz SQGXETPEDCIUSD-CWJKEVGVSA-N 2 0 352.563 3.545 20 0 FHADRP COCCSc1ccc([C@H](C)NCc2ncc(CN(C)C)s2)cc1 ZINC000512008709 948172289 /nfs/dbraw/zinc/17/22/89/948172289.db2.gz NIXUYAQYXABNKW-AWEZNQCLSA-N 2 0 365.568 3.794 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001167833385 948222328 /nfs/dbraw/zinc/22/23/28/948222328.db2.gz AORUMTBGHFHUAR-QGZVFWFLSA-N 2 0 353.551 3.582 20 0 FHADRP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167833394 948222820 /nfs/dbraw/zinc/22/28/20/948222820.db2.gz ASLIJWADRGYCMR-HOTGVXAUSA-N 2 0 352.592 3.569 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000512036985 948251904 /nfs/dbraw/zinc/25/19/04/948251904.db2.gz NPVWIJAHGOAYON-UHFFFAOYSA-N 2 0 360.505 3.973 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624320 948261101 /nfs/dbraw/zinc/26/11/01/948261101.db2.gz IBELXZBXYGTZET-LKDDOFHYSA-N 2 0 364.533 3.925 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001167835723 948298639 /nfs/dbraw/zinc/29/86/39/948298639.db2.gz UELBIOHLROQVRL-ZWKOTPCHSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001167835596 948300594 /nfs/dbraw/zinc/30/05/94/948300594.db2.gz RTCKLBMWSCDEHF-FXAWDEMLSA-N 2 0 363.521 3.530 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001167836541 948306844 /nfs/dbraw/zinc/30/68/44/948306844.db2.gz FHCBOKOQOJBQBM-KRWDZBQOSA-N 2 0 358.530 3.623 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC001167838068 948312086 /nfs/dbraw/zinc/31/20/86/948312086.db2.gz PFXHAHYCZQIEJL-IBGZPJMESA-N 2 0 354.542 3.867 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001167839496 948315993 /nfs/dbraw/zinc/31/59/93/948315993.db2.gz YKSNCTDMBIENKS-OKYOBFRVSA-N 2 0 367.578 3.732 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367272 948386093 /nfs/dbraw/zinc/38/60/93/948386093.db2.gz WLXXRQMITUKXHR-IRXDYDNUSA-N 2 0 358.530 3.695 20 0 FHADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432422943 948388739 /nfs/dbraw/zinc/38/87/39/948388739.db2.gz HLELQZDDUIICTB-SJORKVTESA-N 2 0 370.484 3.700 20 0 FHADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432422940 948388958 /nfs/dbraw/zinc/38/89/58/948388958.db2.gz HLELQZDDUIICTB-DLBZAZTESA-N 2 0 370.484 3.700 20 0 FHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427535 948397875 /nfs/dbraw/zinc/39/78/75/948397875.db2.gz ZFTFBEWMFWJGEF-YJBOKZPZSA-N 2 0 356.457 3.830 20 0 FHADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512108302 948439649 /nfs/dbraw/zinc/43/96/49/948439649.db2.gz VDNNCFJXBBBISD-ZCNNSNEGSA-N 2 0 371.569 3.940 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005693 948519070 /nfs/dbraw/zinc/51/90/70/948519070.db2.gz KDAOHRDZJJKSKL-ASQQMFMASA-N 2 0 368.565 3.957 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152415910 948593253 /nfs/dbraw/zinc/59/32/53/948593253.db2.gz UOEGFPDYAOISAI-SUMWQHHRSA-N 2 0 365.315 3.737 20 0 FHADRP Cc1ccc(F)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000523977039 948735944 /nfs/dbraw/zinc/73/59/44/948735944.db2.gz RRUAUMHGEXELGV-JOCHJYFZSA-N 2 0 355.501 3.603 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000623056954 567823814 /nfs/dbraw/zinc/82/38/14/567823814.db2.gz TUIKLEZARWFBTA-FQEVSTJZSA-N 2 0 354.498 3.693 20 0 FHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4ccccc4Cl)o3)C2)CC1 ZINC000602277987 567962671 /nfs/dbraw/zinc/96/26/71/567962671.db2.gz OYPTVWAIILBYHN-MRXNPFEDSA-N 2 0 373.928 3.858 20 0 FHADRP COC(=O)c1cnc(C2CC[NH+](Cc3c(C)cc(C)nc3C)CC2)s1 ZINC000602915705 568012102 /nfs/dbraw/zinc/01/21/02/568012102.db2.gz JFBZGHWBPQDYOO-UHFFFAOYSA-N 2 0 359.495 3.630 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430130 568030462 /nfs/dbraw/zinc/03/04/62/568030462.db2.gz PTSLCAOPWGAITI-FQEVSTJZSA-N 2 0 373.585 3.868 20 0 FHADRP CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000603515163 568111448 /nfs/dbraw/zinc/11/14/48/568111448.db2.gz WFJTVKQEXTZVAR-NRFANRHFSA-N 2 0 359.558 3.515 20 0 FHADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000603694955 568136783 /nfs/dbraw/zinc/13/67/83/568136783.db2.gz OWVCNFOWLPFSBJ-HXUWFJFHSA-N 2 0 365.521 3.907 20 0 FHADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000563134467 568266555 /nfs/dbraw/zinc/26/65/55/568266555.db2.gz CTAINVXFDFLGMB-LEWJYISDSA-N 2 0 361.599 3.648 20 0 FHADRP COc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1Br ZINC000604770706 568363026 /nfs/dbraw/zinc/36/30/26/568363026.db2.gz CHSREVQVAQBCNM-MRXNPFEDSA-N 2 0 357.336 3.914 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821197914 599369323 /nfs/dbraw/zinc/36/93/23/599369323.db2.gz OGEHGATYRVZUBJ-MRXNPFEDSA-N 2 0 364.497 3.559 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820411250 607087653 /nfs/dbraw/zinc/08/76/53/607087653.db2.gz HNDYRFIRRXNZBK-GQIGUUNPSA-N 2 0 368.529 3.560 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1 ZINC001164427871 718946662 /nfs/dbraw/zinc/94/66/62/718946662.db2.gz GXPVUNIRZDJRHY-BHDDXSALSA-N 2 0 362.521 3.704 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427874 718946728 /nfs/dbraw/zinc/94/67/28/718946728.db2.gz GXPVUNIRZDJRHY-BHIFYINESA-N 2 0 362.521 3.704 20 0 FHADRP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026124 721811125 /nfs/dbraw/zinc/81/11/25/721811125.db2.gz PGAAMVMZFWNBRV-YYWHXJBOSA-N 2 0 366.509 3.612 20 0 FHADRP CCOC(=O)c1c[nH]c2cc(N3CCCC[C@@H]3CC[NH+]3CCCC3)[nH+]cc21 ZINC001165049047 721974570 /nfs/dbraw/zinc/97/45/70/721974570.db2.gz LUTYEZBGICTBHL-MRXNPFEDSA-N 2 0 370.497 3.584 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000121400748 936317930 /nfs/dbraw/zinc/31/79/30/936317930.db2.gz FHEKTJSDMPDMHF-VQTJNVASSA-N 2 0 366.553 3.673 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000583006572 936361687 /nfs/dbraw/zinc/36/16/87/936361687.db2.gz XTYGQRSDBYQXNU-UXHICEINSA-N 2 0 350.934 3.752 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)C1CC[NH+](C)CC1 ZINC000126123724 936389140 /nfs/dbraw/zinc/38/91/40/936389140.db2.gz YJZFAGCPBKFEBV-INIZCTEOSA-N 2 0 369.484 3.898 20 0 FHADRP Clc1cccc(OCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000466933138 945066023 /nfs/dbraw/zinc/06/60/23/945066023.db2.gz NYIYHAPJZJATTR-UHFFFAOYSA-N 2 0 366.933 3.686 20 0 FHADRP C[NH+](CCCC[N@@H+](C)Cc1cc(C#N)cs1)Cc1cc(C#N)cs1 ZINC000092107676 927269282 /nfs/dbraw/zinc/26/92/82/927269282.db2.gz NFSYLWMXFIWXGK-UHFFFAOYSA-N 2 0 358.536 3.897 20 0 FHADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000583135044 937157155 /nfs/dbraw/zinc/15/71/55/937157155.db2.gz JMIHWKQVNLEDME-MSOLQXFVSA-N 2 0 358.448 3.899 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000123587941 937161768 /nfs/dbraw/zinc/16/17/68/937161768.db2.gz SGFFLJDBTPDVSZ-MRXNPFEDSA-N 2 0 353.466 3.556 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643547492 927467264 /nfs/dbraw/zinc/46/72/64/927467264.db2.gz GGCHXMMCVCLEMR-CTNGQTDRSA-N 2 0 351.494 3.638 20 0 FHADRP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000583142199 937166955 /nfs/dbraw/zinc/16/69/55/937166955.db2.gz GYUMXCCHZPYSFG-GHTZIAJQSA-N 2 0 357.542 3.586 20 0 FHADRP CC[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072562 927673949 /nfs/dbraw/zinc/67/39/49/927673949.db2.gz PTOSWPLHVBREOT-SESVDKBCSA-N 2 0 359.558 3.524 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083446 927936780 /nfs/dbraw/zinc/93/67/80/927936780.db2.gz UKZBLGIBRWEUTC-LEWJYISDSA-N 2 0 371.569 3.668 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000430199856 927940696 /nfs/dbraw/zinc/94/06/96/927940696.db2.gz VIYDUFXISXSYGJ-LJQANCHMSA-N 2 0 361.599 3.794 20 0 FHADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818118 927968104 /nfs/dbraw/zinc/96/81/04/927968104.db2.gz LUYBLBZPODQNQD-OAQYLSRUSA-N 2 0 353.514 3.622 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154453317 937223681 /nfs/dbraw/zinc/22/36/81/937223681.db2.gz YZQUNDMYRBKFEX-IBGZPJMESA-N 2 0 365.949 3.561 20 0 FHADRP COc1ccccc1-c1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000430233181 928359467 /nfs/dbraw/zinc/35/94/67/928359467.db2.gz JVNQFQAFHLFUPL-UHFFFAOYSA-N 2 0 368.525 3.706 20 0 FHADRP CC(C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000109116927 928407175 /nfs/dbraw/zinc/40/71/75/928407175.db2.gz FHGYIZXZLWANRE-QFIPXVFZSA-N 2 0 371.569 3.769 20 0 FHADRP Cc1ccc(C[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C(C)C)cc1 ZINC000583225738 937255453 /nfs/dbraw/zinc/25/54/53/937255453.db2.gz BGNDPXSQIXHSMJ-OAQYLSRUSA-N 2 0 355.526 3.687 20 0 FHADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453262 928755334 /nfs/dbraw/zinc/75/53/34/928755334.db2.gz MMHLUWPMIDSPTO-KRWDZBQOSA-N 2 0 367.331 3.529 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154457358 928844181 /nfs/dbraw/zinc/84/41/81/928844181.db2.gz WHJQVQFZJXGXEZ-QGZVFWFLSA-N 2 0 369.500 3.665 20 0 FHADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180439083 929510759 /nfs/dbraw/zinc/51/07/59/929510759.db2.gz JASIXUZXQAFFHJ-PGRDOPGGSA-N 2 0 371.956 3.903 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440834 929512331 /nfs/dbraw/zinc/51/23/31/929512331.db2.gz VLXYEMYVKVIYPM-QPPBQGQZSA-N 2 0 365.565 3.948 20 0 FHADRP Cc1ccc(C)c([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180463089 929518213 /nfs/dbraw/zinc/51/82/13/929518213.db2.gz KUABOMAQCURNCZ-NFBKMPQASA-N 2 0 351.538 3.618 20 0 FHADRP Cc1ccc(C)c([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180463123 929518628 /nfs/dbraw/zinc/51/86/28/929518628.db2.gz KUABOMAQCURNCZ-NZQKXSOJSA-N 2 0 351.538 3.618 20 0 FHADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c(C)c1 ZINC000180485683 929523257 /nfs/dbraw/zinc/52/32/57/929523257.db2.gz YLPAWSYKYNLJGR-QHCPKHFHSA-N 2 0 352.522 3.687 20 0 FHADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000180497262 929531328 /nfs/dbraw/zinc/53/13/28/929531328.db2.gz HZFOBCXBHLBCSD-UTKZUKDTSA-N 2 0 357.929 3.655 20 0 FHADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583322000 937349359 /nfs/dbraw/zinc/34/93/59/937349359.db2.gz OSVQMZJZBDKWOS-LSDHHAIUSA-N 2 0 374.326 3.819 20 0 FHADRP C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312572962 929695257 /nfs/dbraw/zinc/69/52/57/929695257.db2.gz VCTMBSVMMXPHIK-PXNSSMCTSA-N 2 0 361.489 3.941 20 0 FHADRP CN(c1ccccc1C[NH2+][C@@H]1CCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000583333247 937354363 /nfs/dbraw/zinc/35/43/63/937354363.db2.gz JULUXFXYTGZOFR-JOCHJYFZSA-N 2 0 364.537 3.576 20 0 FHADRP O[C@@H](CCOCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001167326818 929859107 /nfs/dbraw/zinc/85/91/07/929859107.db2.gz SOTGATHEGQJECT-PKTZIBPZSA-N 2 0 374.569 3.542 20 0 FHADRP CCCC[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000580014282 929862607 /nfs/dbraw/zinc/86/26/07/929862607.db2.gz FZGJNRIHBJKMNY-IBGZPJMESA-N 2 0 359.558 3.586 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+]CCCc2c(F)cccc2Cl)ccn1 ZINC000683708425 929870788 /nfs/dbraw/zinc/87/07/88/929870788.db2.gz MFNQAFFNXUKKFE-UHFFFAOYSA-N 2 0 365.880 3.537 20 0 FHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123316874 929984411 /nfs/dbraw/zinc/98/44/11/929984411.db2.gz YCGOWFWFLNNAHH-KRWDZBQOSA-N 2 0 355.526 3.745 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000275727726 930053874 /nfs/dbraw/zinc/05/38/74/930053874.db2.gz WWAORUBVAITMSM-UHFFFAOYSA-N 2 0 365.477 3.851 20 0 FHADRP COc1ccc([C@@H](CC(C)C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000647288391 937389822 /nfs/dbraw/zinc/38/98/22/937389822.db2.gz BKRXTSLSEXWMRS-SIKLNZKXSA-N 2 0 359.558 3.541 20 0 FHADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000397953585 930479978 /nfs/dbraw/zinc/47/99/78/930479978.db2.gz ASEBDTQBAZIHRB-PBASOCQRSA-N 2 0 358.526 3.609 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC(CC[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000580439679 930682459 /nfs/dbraw/zinc/68/24/59/930682459.db2.gz NAMVFOHOSHXHSR-SFHVURJKSA-N 2 0 374.573 3.666 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000557040090 930687176 /nfs/dbraw/zinc/68/71/76/930687176.db2.gz XPSBHHFZWYNFGX-QFBILLFUSA-N 2 0 372.538 3.672 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000564601853 930822728 /nfs/dbraw/zinc/82/27/28/930822728.db2.gz YOOFDTQALAHIKH-RJGXRXQPSA-N 3 0 355.570 3.609 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000471593610 930844641 /nfs/dbraw/zinc/84/46/41/930844641.db2.gz MIXPCVFCOCFYOO-ACJLOTCBSA-N 2 0 356.341 3.596 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000471593611 930844814 /nfs/dbraw/zinc/84/48/14/930844814.db2.gz MIXPCVFCOCFYOO-FZKQIMNGSA-N 2 0 356.341 3.596 20 0 FHADRP CC[N@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CC(C)(C)O ZINC001167425384 930947097 /nfs/dbraw/zinc/94/70/97/930947097.db2.gz QRBGZOROZXZDLG-JOCHJYFZSA-N 2 0 354.538 3.995 20 0 FHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000656270023 930984032 /nfs/dbraw/zinc/98/40/32/930984032.db2.gz WMPWXGKDFDYOEH-YIKMBNCNSA-N 2 0 355.295 3.764 20 0 FHADRP COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000580813263 931192283 /nfs/dbraw/zinc/19/22/83/931192283.db2.gz ATZVGWCIQMYQJG-FQEVSTJZSA-N 2 0 369.509 3.585 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1OC(F)F ZINC000581131646 931597725 /nfs/dbraw/zinc/59/77/25/931597725.db2.gz OEDAWGMCGNOVPW-ZJUUUORDSA-N 2 0 351.235 3.574 20 0 FHADRP Brc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000581191400 931651658 /nfs/dbraw/zinc/65/16/58/931651658.db2.gz ZEWICWLMECXPCQ-OAHLLOKOSA-N 2 0 374.326 3.819 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569257 931905995 /nfs/dbraw/zinc/90/59/95/931905995.db2.gz HFTASEGPTCIBKM-ZWKOTPCHSA-N 2 0 367.493 3.867 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430577399 931932883 /nfs/dbraw/zinc/93/28/83/931932883.db2.gz UQUGDKBLBYFHQP-OAQYLSRUSA-N 2 0 351.494 3.688 20 0 FHADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000656682403 932325677 /nfs/dbraw/zinc/32/56/77/932325677.db2.gz CWJPXOIDHFWXTM-NRFANRHFSA-N 2 0 357.448 3.849 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc(Cl)c1OC ZINC000656786555 932417695 /nfs/dbraw/zinc/41/76/95/932417695.db2.gz UKCRKSBVRMLBMV-INIZCTEOSA-N 2 0 352.906 3.569 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC000656786248 932418629 /nfs/dbraw/zinc/41/86/29/932418629.db2.gz QVNMUQIHSBURQV-HNNXBMFYSA-N 2 0 354.441 3.508 20 0 FHADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783795 932419650 /nfs/dbraw/zinc/41/96/50/932419650.db2.gz UKZMBSQTRJZUOW-OAHLLOKOSA-N 2 0 367.331 3.669 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784071 932420130 /nfs/dbraw/zinc/42/01/30/932420130.db2.gz CJRTUFIEZYNBPF-OAHLLOKOSA-N 2 0 360.452 3.567 20 0 FHADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000684367278 932425105 /nfs/dbraw/zinc/42/51/05/932425105.db2.gz NVQGOEOBCVYJMO-UHFFFAOYSA-N 2 0 371.491 3.644 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656787013 932425889 /nfs/dbraw/zinc/42/58/89/932425889.db2.gz ZLTSMFUIOZJLQW-INIZCTEOSA-N 2 0 367.331 3.669 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000656786732 932426156 /nfs/dbraw/zinc/42/61/56/932426156.db2.gz XCPNSQAZYKKRPE-MRXNPFEDSA-N 2 0 352.906 3.569 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc3ncccc3c2)cc1F ZINC000656790582 932426933 /nfs/dbraw/zinc/42/69/33/932426933.db2.gz BQOJCYYNECKSJD-RXVVDRJESA-N 2 0 365.452 3.618 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(C)c1OC ZINC000581693888 932512088 /nfs/dbraw/zinc/51/20/88/932512088.db2.gz TYBDZUVQGKMRJD-SFHVURJKSA-N 2 0 369.509 3.925 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000581734029 932572676 /nfs/dbraw/zinc/57/26/76/932572676.db2.gz XCRUDJFZFNJHTN-QUCCMNQESA-N 2 0 355.526 3.529 20 0 FHADRP CSC1(C[NH2+]Cc2cc(F)cc(Br)c2)CC[NH+](C)CC1 ZINC000449340445 933308595 /nfs/dbraw/zinc/30/85/95/933308595.db2.gz WCKJPNIZBZSMJO-UHFFFAOYSA-N 2 0 361.324 3.505 20 0 FHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000510693595 933429499 /nfs/dbraw/zinc/42/94/99/933429499.db2.gz CASHWVSAQAVDNU-MRXNPFEDSA-N 2 0 358.448 3.729 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430933840 933431049 /nfs/dbraw/zinc/43/10/49/933431049.db2.gz MLHLWYZZDBPKHU-UHFFFAOYSA-N 2 0 366.553 3.804 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430956411 933485645 /nfs/dbraw/zinc/48/56/45/933485645.db2.gz OKOKJAVLEHIOFQ-DLBZAZTESA-N 2 0 367.493 3.865 20 0 FHADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000562986342 933603194 /nfs/dbraw/zinc/60/31/94/933603194.db2.gz AKQQYYGKARWYMU-ROUUACIJSA-N 2 0 368.949 3.632 20 0 FHADRP CCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431031801 933714671 /nfs/dbraw/zinc/71/46/71/933714671.db2.gz DFZZCRXGUAQONE-NNMXDRDESA-N 2 0 371.569 3.696 20 0 FHADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000431042176 933738627 /nfs/dbraw/zinc/73/86/27/933738627.db2.gz DGRJQLYVDFLDAI-KSEOMHKRSA-N 2 0 371.569 3.666 20 0 FHADRP CCC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000548442396 933792183 /nfs/dbraw/zinc/79/21/83/933792183.db2.gz YOTOVSLIDIBFLU-NHCUHLMSSA-N 2 0 353.510 3.537 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000132303794 934033337 /nfs/dbraw/zinc/03/33/37/934033337.db2.gz OILMLEXMBGKOLW-KBXCAEBGSA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000132303548 934033385 /nfs/dbraw/zinc/03/33/85/934033385.db2.gz GYSAMDJJPWWGHZ-QAPCUYQASA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132344627 934041811 /nfs/dbraw/zinc/04/18/11/934041811.db2.gz ZXNMXHCRHLNYQP-KSSFIOAISA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000132465355 934056756 /nfs/dbraw/zinc/05/67/56/934056756.db2.gz SPPCIRJVXVOVCV-OCCSQVGLSA-N 2 0 364.386 3.978 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000132464927 934057381 /nfs/dbraw/zinc/05/73/81/934057381.db2.gz SPPCIRJVXVOVCV-JSGCOSHPSA-N 2 0 364.386 3.978 20 0 FHADRP C[NH+](C)Cc1cc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)ccc1F ZINC000092565713 934089014 /nfs/dbraw/zinc/08/90/14/934089014.db2.gz ZFDDVKSLLSBWSL-UHFFFAOYSA-N 2 0 364.505 3.877 20 0 FHADRP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548486846 934161675 /nfs/dbraw/zinc/16/16/75/934161675.db2.gz MZCKYFAPZYPKRL-UYAOXDASSA-N 2 0 362.521 3.616 20 0 FHADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]21 ZINC000262095765 934167412 /nfs/dbraw/zinc/16/74/12/934167412.db2.gz IJBOUKDTAUPCJG-YLQAJVPDSA-N 2 0 360.299 3.557 20 0 FHADRP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684580153 934176615 /nfs/dbraw/zinc/17/66/15/934176615.db2.gz BFDZYGBUPAHLKS-UHFFFAOYSA-N 2 0 357.498 3.515 20 0 FHADRP Cc1nc(COc2ccc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc2)no1 ZINC000535811405 934403288 /nfs/dbraw/zinc/40/32/88/934403288.db2.gz WLYAXYFKDAAJJS-UHFFFAOYSA-N 2 0 372.513 3.509 20 0 FHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277087618 934487335 /nfs/dbraw/zinc/48/73/35/934487335.db2.gz GCAFTHCBJWNPMY-ICSRJNTNSA-N 2 0 362.583 3.653 20 0 FHADRP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458295525 934589420 /nfs/dbraw/zinc/58/94/20/934589420.db2.gz WXWYJQRCIWQNDG-OAQYLSRUSA-N 2 0 351.494 3.660 20 0 FHADRP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000277162814 934636199 /nfs/dbraw/zinc/63/61/99/934636199.db2.gz RGBWRWMFRRLROJ-OAQYLSRUSA-N 2 0 372.557 3.663 20 0 FHADRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000657182848 934667834 /nfs/dbraw/zinc/66/78/34/934667834.db2.gz PNGKGGJKAHTAJF-MRXNPFEDSA-N 2 0 352.482 3.655 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000236636719 934755876 /nfs/dbraw/zinc/75/58/76/934755876.db2.gz PRJLYZVMMRXZLX-SFHVURJKSA-N 2 0 357.542 3.883 20 0 FHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277223711 934814858 /nfs/dbraw/zinc/81/48/58/934814858.db2.gz LOSPPZWWKLEXJF-AZUAARDMSA-N 2 0 362.583 3.653 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(C4CC4)cnn3C)cc2)CC1 ZINC000657299294 935011943 /nfs/dbraw/zinc/01/19/43/935011943.db2.gz TVWJFYUVXFMYNY-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657312149 935100853 /nfs/dbraw/zinc/10/08/53/935100853.db2.gz DNIYECRHHCNNPW-ROUUACIJSA-N 2 0 352.526 3.597 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657313939 935131849 /nfs/dbraw/zinc/13/18/49/935131849.db2.gz XPPRHPUKSQJWLU-ROUUACIJSA-N 2 0 352.526 3.597 20 0 FHADRP COCc1csc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000657315501 935166903 /nfs/dbraw/zinc/16/69/03/935166903.db2.gz VFSXZAWGHWVSLD-UHFFFAOYSA-N 2 0 373.566 3.587 20 0 FHADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523965 935170148 /nfs/dbraw/zinc/17/01/48/935170148.db2.gz FGJGNWFXNFUVTR-AWEZNQCLSA-N 2 0 371.447 3.696 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000511066724 935210548 /nfs/dbraw/zinc/21/05/48/935210548.db2.gz WHXDZFYVNZOQLL-LJQANCHMSA-N 2 0 359.558 3.911 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947604 935309568 /nfs/dbraw/zinc/30/95/68/935309568.db2.gz FDVKYYJFNGQWFK-OKYOBFRVSA-N 2 0 365.562 3.629 20 0 FHADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3c(C4CC4)cnn3C)c2)CC1 ZINC000657348647 935313587 /nfs/dbraw/zinc/31/35/87/935313587.db2.gz CLIABABGXNERCR-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185940285 935315321 /nfs/dbraw/zinc/31/53/21/935315321.db2.gz JCSPWYLVESOVDM-JXFKEZNVSA-N 2 0 354.498 3.561 20 0 FHADRP C[NH+](C)CCOc1ccc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000684768356 935316773 /nfs/dbraw/zinc/31/67/73/935316773.db2.gz ZTQVACHHSFDLQH-NRFANRHFSA-N 2 0 359.558 3.514 20 0 FHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000684773065 935330726 /nfs/dbraw/zinc/33/07/26/935330726.db2.gz XNGKIZRHQVSZDK-DENIHFKCSA-N 2 0 355.570 3.848 20 0 FHADRP CC(C)COc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466908792 935502044 /nfs/dbraw/zinc/50/20/44/935502044.db2.gz UALJBSFXKVWXSG-UHFFFAOYSA-N 2 0 360.542 3.798 20 0 FHADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000657389658 935515123 /nfs/dbraw/zinc/51/51/23/935515123.db2.gz MNTHDKNMYGMAOJ-UHFFFAOYSA-N 2 0 368.521 3.640 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000439933443 945107992 /nfs/dbraw/zinc/10/79/92/945107992.db2.gz PRZMPJVKXBWNRR-OAQYLSRUSA-N 2 0 373.541 3.753 20 0 FHADRP C[N@@H+]1C[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647248589 935553556 /nfs/dbraw/zinc/55/35/56/935553556.db2.gz KLBIATJGIHOJBJ-VWNXMTODSA-N 2 0 363.549 3.586 20 0 FHADRP Fc1cccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1OC(F)F ZINC000657425956 935681580 /nfs/dbraw/zinc/68/15/80/935681580.db2.gz SAYNGXLGCBEWKR-UHFFFAOYSA-N 2 0 365.399 3.828 20 0 FHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000582435309 935699097 /nfs/dbraw/zinc/69/90/97/935699097.db2.gz JLGDZMAGXLXWFO-OAHLLOKOSA-N 2 0 372.294 3.501 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000657431332 935715349 /nfs/dbraw/zinc/71/53/49/935715349.db2.gz ZWKMHSZZRSROPC-BJLQDIEVSA-N 2 0 360.542 3.843 20 0 FHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657437716 935748050 /nfs/dbraw/zinc/74/80/50/935748050.db2.gz RWHFDRPETCNTOT-UHFFFAOYSA-N 2 0 357.567 3.921 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000511165839 935840287 /nfs/dbraw/zinc/84/02/87/935840287.db2.gz HXTXHLGHLPDSEQ-UHFFFAOYSA-N 2 0 367.537 3.910 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586069 935846550 /nfs/dbraw/zinc/84/65/50/935846550.db2.gz GXYKNDASPNONHT-ZWKOTPCHSA-N 2 0 355.567 3.876 20 0 FHADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000582591765 935855815 /nfs/dbraw/zinc/85/58/15/935855815.db2.gz LBOJNTDDNVQFKZ-LSDHHAIUSA-N 2 0 371.447 3.744 20 0 FHADRP C[NH+](C)CCOc1ccc(CNc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000684932088 935863119 /nfs/dbraw/zinc/86/31/19/935863119.db2.gz MELHMSDXDBTRCS-UHFFFAOYSA-N 2 0 361.917 3.954 20 0 FHADRP CC(C)[C@@H](O)C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000582620912 935882281 /nfs/dbraw/zinc/88/22/81/935882281.db2.gz WAYVFJJJFMRZKB-RTWAWAEBSA-N 2 0 350.522 3.985 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000262132226 935958506 /nfs/dbraw/zinc/95/85/06/935958506.db2.gz LOALVTHTLLPNEB-UHFFFAOYSA-N 2 0 362.315 3.819 20 0 FHADRP FC(F)(F)c1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536443 935973741 /nfs/dbraw/zinc/97/37/41/935973741.db2.gz IXFHNYVQXRLEAP-UHFFFAOYSA-N 2 0 356.432 3.686 20 0 FHADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC000657537368 935975947 /nfs/dbraw/zinc/97/59/47/935975947.db2.gz IUYHATJZSBTGRY-VXKWHMMOSA-N 2 0 356.554 3.878 20 0 FHADRP CC[C@@H](COCC1CC1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657564139 936032433 /nfs/dbraw/zinc/03/24/33/936032433.db2.gz ZEOLJQOSKAARPT-FQEVSTJZSA-N 2 0 359.558 3.512 20 0 FHADRP Cc1cc(NCC2([NH+](C)C)CCOCC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077224437 936046801 /nfs/dbraw/zinc/04/68/01/936046801.db2.gz XCERHDRPIVZVNA-UHFFFAOYSA-N 2 0 365.424 3.667 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237472328 936068797 /nfs/dbraw/zinc/06/87/97/936068797.db2.gz JAIIHJNQTVGAGI-HSALFYBXSA-N 2 0 371.569 3.561 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc4ccccc34)cc2)C1 ZINC000657595547 936072442 /nfs/dbraw/zinc/07/24/42/936072442.db2.gz QSVGPFRHSQMEOT-IBGZPJMESA-N 2 0 352.503 3.758 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCCC4)s3)cc2)C1 ZINC000657597274 936072902 /nfs/dbraw/zinc/07/29/02/936072902.db2.gz RZQNWIWLIAPNBO-LJQANCHMSA-N 2 0 371.550 3.657 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593574 936073398 /nfs/dbraw/zinc/07/33/98/936073398.db2.gz IIGNUUZDFGNSMS-KRWDZBQOSA-N 2 0 365.304 3.850 20 0 FHADRP CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597556 936080048 /nfs/dbraw/zinc/08/00/48/936080048.db2.gz UQYXDHCXOLYOKH-LJQANCHMSA-N 2 0 374.912 3.595 20 0 FHADRP COc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccc1SC ZINC000657611956 936092557 /nfs/dbraw/zinc/09/25/57/936092557.db2.gz GCGPHSZOAFRHHY-UHFFFAOYSA-N 2 0 371.550 3.814 20 0 FHADRP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000657612956 936093857 /nfs/dbraw/zinc/09/38/57/936093857.db2.gz GTYPLDILUWLOGH-OWOJBTEDSA-N 2 0 357.448 3.875 20 0 FHADRP COCCC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000516690061 945148235 /nfs/dbraw/zinc/14/82/35/945148235.db2.gz TZSCZGKTHQHASZ-PEZBUJJGSA-N 2 0 368.468 3.782 20 0 FHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001167624744 936187228 /nfs/dbraw/zinc/18/72/28/936187228.db2.gz AGXAMYHAKBZONA-UHFFFAOYSA-N 2 0 368.525 3.556 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000657669056 936208376 /nfs/dbraw/zinc/20/83/76/936208376.db2.gz BSAHFOPVXPJGKF-KRWDZBQOSA-N 2 0 357.876 3.617 20 0 FHADRP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000657692395 936256774 /nfs/dbraw/zinc/25/67/74/936256774.db2.gz UCSADIFAGBYLCX-JOCHJYFZSA-N 2 0 352.478 3.644 20 0 FHADRP Fc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000583451773 938257000 /nfs/dbraw/zinc/25/70/00/938257000.db2.gz HAHMIYORCAECRZ-KJJMTIBFSA-N 2 0 366.480 3.914 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000098173070 938279341 /nfs/dbraw/zinc/27/93/41/938279341.db2.gz WLAFAZWZDTUYOR-HXUWFJFHSA-N 2 0 358.457 3.770 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705818 938282667 /nfs/dbraw/zinc/28/26/67/938282667.db2.gz XHNTTWWZRHSXHT-SCTDSRPQSA-N 2 0 357.523 3.528 20 0 FHADRP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705483 938283155 /nfs/dbraw/zinc/28/31/55/938283155.db2.gz JFEORRLQTSGXOM-TUNNFDKTSA-N 2 0 360.542 3.830 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706209 938285327 /nfs/dbraw/zinc/28/53/27/938285327.db2.gz GNJPHGKZEINCFW-ATZDWAIDSA-N 2 0 359.901 3.607 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706257 938285526 /nfs/dbraw/zinc/28/55/26/938285526.db2.gz HFWVMPCEOOAJFP-LZWOXQAQSA-N 2 0 363.552 3.590 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707975 938287690 /nfs/dbraw/zinc/28/76/90/938287690.db2.gz RAORBGYOMHNWHY-XKQJLSEDSA-N 2 0 360.395 3.563 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292056 938300607 /nfs/dbraw/zinc/30/06/07/938300607.db2.gz KQYQISUJFQVTAQ-MJGOQNOKSA-N 2 0 357.498 3.835 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000650719618 938308276 /nfs/dbraw/zinc/30/82/76/938308276.db2.gz WJKACQXEOUKVPN-OAHLLOKOSA-N 2 0 359.901 3.875 20 0 FHADRP CC(C)[NH+](CCCNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000151057739 938309042 /nfs/dbraw/zinc/30/90/42/938309042.db2.gz OQYTXWMUIZCVDI-UHFFFAOYSA-N 2 0 374.617 3.816 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723397 938310639 /nfs/dbraw/zinc/31/06/39/938310639.db2.gz NHVMIVMVIIALSK-QRQLOZEOSA-N 2 0 357.523 3.671 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000650723474 938310686 /nfs/dbraw/zinc/31/06/86/938310686.db2.gz OPNHVWCJNLPBAL-UKPHBRMFSA-N 2 0 374.859 3.802 20 0 FHADRP CC(C)[NH+]1CCN([C@H]2CCN(CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000583605691 938319248 /nfs/dbraw/zinc/31/92/48/938319248.db2.gz NZMJTKFTJNTZDE-INIZCTEOSA-N 2 0 370.368 3.636 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)c(F)c1 ZINC000650753834 938407002 /nfs/dbraw/zinc/40/70/02/938407002.db2.gz WBHNGBAMLLVWIE-QGZVFWFLSA-N 2 0 367.237 3.963 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)c(F)c1 ZINC000650756307 938415001 /nfs/dbraw/zinc/41/50/01/938415001.db2.gz ZDDHLDDASFAYLF-UXHICEINSA-N 2 0 362.876 3.818 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000650758000 938422408 /nfs/dbraw/zinc/42/24/08/938422408.db2.gz GOUJKAROYKJHQF-MRXNPFEDSA-N 2 0 354.498 3.787 20 0 FHADRP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813846 938529475 /nfs/dbraw/zinc/52/94/75/938529475.db2.gz BPPDRHZHTLESCA-UHFFFAOYSA-N 2 0 352.526 3.701 20 0 FHADRP OC1CCN(CCC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000151376098 938534720 /nfs/dbraw/zinc/53/47/20/938534720.db2.gz PTFUWGZCBAWTBT-HSZRJFAPSA-N 2 0 366.549 3.667 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000584021115 938550825 /nfs/dbraw/zinc/55/08/25/938550825.db2.gz HFCNWOMVOJGIJX-BMRADRMJSA-N 2 0 369.475 3.678 20 0 FHADRP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584118208 938604853 /nfs/dbraw/zinc/60/48/53/938604853.db2.gz MPMOZPLNNQRKPR-IBGZPJMESA-N 2 0 352.453 3.566 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000657832150 938624659 /nfs/dbraw/zinc/62/46/59/938624659.db2.gz ITNBTZGDBJUVEY-WOJBJXKFSA-N 2 0 351.966 3.523 20 0 FHADRP COc1cc2ccc([C@@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834007 938635348 /nfs/dbraw/zinc/63/53/48/938635348.db2.gz IDEAODIIRRYNEZ-CVEARBPZSA-N 2 0 354.494 3.992 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000584207415 938641047 /nfs/dbraw/zinc/64/10/47/938641047.db2.gz NZCBVEWCKKVZKV-KRWDZBQOSA-N 2 0 360.546 3.943 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657836645 938646427 /nfs/dbraw/zinc/64/64/27/938646427.db2.gz VBAGQYFUMQHOBQ-FPOVZHCZSA-N 2 0 363.977 3.983 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000151800817 938684578 /nfs/dbraw/zinc/68/45/78/938684578.db2.gz CBWZXERBVPWAFB-UHFFFAOYSA-N 2 0 362.521 3.990 20 0 FHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151851532 938720575 /nfs/dbraw/zinc/72/05/75/938720575.db2.gz BKWSKCDZZDTBIR-HXUWFJFHSA-N 2 0 358.551 3.634 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000708530084 938802487 /nfs/dbraw/zinc/80/24/87/938802487.db2.gz WLWOEVXNYJJASM-HLAWJBBLSA-N 2 0 350.506 3.910 20 0 FHADRP CO[C@H](C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414923 938834274 /nfs/dbraw/zinc/83/42/74/938834274.db2.gz OFAQJPBFXZOXIO-CNNODRBYSA-N 2 0 360.542 3.585 20 0 FHADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C(C)C)cc1 ZINC000090522762 938880163 /nfs/dbraw/zinc/88/01/63/938880163.db2.gz GJSJPCQKYJZING-ZRBLBEILSA-N 2 0 358.570 3.920 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285541 938899661 /nfs/dbraw/zinc/89/96/61/938899661.db2.gz FOODWWFBWMGZSF-KXBFYZLASA-N 2 0 369.475 3.772 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000708545990 938913905 /nfs/dbraw/zinc/91/39/05/938913905.db2.gz WFVKGCKFHPQVAU-YLJYHZDGSA-N 2 0 354.494 3.562 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000141350543 938946781 /nfs/dbraw/zinc/94/67/81/938946781.db2.gz ITZMYANRKMJZAH-UHFFFAOYSA-N 2 0 357.498 3.904 20 0 FHADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000148576981 938959946 /nfs/dbraw/zinc/95/99/46/938959946.db2.gz QAUARKMPAYDHOK-MOPGFXCFSA-N 2 0 357.542 3.523 20 0 FHADRP c1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000685452297 938987508 /nfs/dbraw/zinc/98/75/08/938987508.db2.gz CUNGFVSYUAKFOT-JOCHJYFZSA-N 2 0 351.494 3.893 20 0 FHADRP C[N@H+](Cc1ccc(-c2ccccc2F)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457576 938987913 /nfs/dbraw/zinc/98/79/13/938987913.db2.gz FIUFDIUUZZRSKG-GOSISDBHSA-N 2 0 371.500 3.686 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708563115 938991538 /nfs/dbraw/zinc/99/15/38/938991538.db2.gz USDXXKGDBJWUTG-SBHAEUEKSA-N 2 0 365.521 3.761 20 0 FHADRP Cc1cnn(CCCCC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821170 938992013 /nfs/dbraw/zinc/99/20/13/938992013.db2.gz QKTYWMHVOADQDD-UHFFFAOYSA-N 2 0 369.557 3.995 20 0 FHADRP FCC1(CF)CC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657898367 938993034 /nfs/dbraw/zinc/99/30/34/938993034.db2.gz NLVNSZIUQWZMIK-UHFFFAOYSA-N 2 0 366.496 3.735 20 0 FHADRP CC[C@]1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)OCCc2ccccc21 ZINC000685624708 939005617 /nfs/dbraw/zinc/00/56/17/939005617.db2.gz XOQJADFMDIDMQK-HSZRJFAPSA-N 2 0 368.521 3.595 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019637 939018981 /nfs/dbraw/zinc/01/89/81/939018981.db2.gz UAADBRZXUIOVBU-DHIUTWEWSA-N 2 0 374.569 3.710 20 0 FHADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000658044962 939019977 /nfs/dbraw/zinc/01/99/77/939019977.db2.gz AZDGPKIRIJLFEC-JQHSSLGASA-N 2 0 353.348 3.946 20 0 FHADRP Cc1cccc(C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CC2)c1 ZINC000658066744 939021511 /nfs/dbraw/zinc/02/15/11/939021511.db2.gz DKUQQXICSPCZCL-QHCPKHFHSA-N 2 0 356.554 3.797 20 0 FHADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCCO2 ZINC000658067623 939021594 /nfs/dbraw/zinc/02/15/94/939021594.db2.gz OIPGSRLWQBXODK-JOCHJYFZSA-N 2 0 372.553 3.998 20 0 FHADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000658069818 939021740 /nfs/dbraw/zinc/02/17/40/939021740.db2.gz IVBKPMYPXAQAIT-LEWJYISDSA-N 2 0 371.569 3.897 20 0 FHADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658068240 939021751 /nfs/dbraw/zinc/02/17/51/939021751.db2.gz VGYWVHXCCMKVMC-REWPJTCUSA-N 2 0 372.553 3.635 20 0 FHADRP Fc1ccc2c(c1Cl)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658071773 939021889 /nfs/dbraw/zinc/02/18/89/939021889.db2.gz YUUGXFAJAYDMHK-SFHVURJKSA-N 2 0 366.908 3.947 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134711 939030154 /nfs/dbraw/zinc/03/01/54/939030154.db2.gz BGCWJKQOFRIQNA-XFWGSAIBSA-N 2 0 356.535 3.597 20 0 FHADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137057 939030485 /nfs/dbraw/zinc/03/04/85/939030485.db2.gz IRBXXWOCLRFUOE-PIPMEXSNSA-N 2 0 350.506 3.900 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137077 939030638 /nfs/dbraw/zinc/03/06/38/939030638.db2.gz IRGAHCLZNWBNDF-UNMCSNQZSA-N 2 0 354.469 3.560 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142246 939036283 /nfs/dbraw/zinc/03/62/83/939036283.db2.gz VGEYXMIBRUAXHA-DYESRHJHSA-N 2 0 356.897 3.684 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000658143559 939036715 /nfs/dbraw/zinc/03/67/15/939036715.db2.gz ZIHJFUMDWVEVHB-BEFAXECRSA-N 2 0 374.912 3.766 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138101 939042536 /nfs/dbraw/zinc/04/25/36/939042536.db2.gz MSJDGFUHFVZMCJ-DYESRHJHSA-N 2 0 361.489 3.652 20 0 FHADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658162164 939051687 /nfs/dbraw/zinc/05/16/87/939051687.db2.gz CBRGIAJKXVGANY-IBGZPJMESA-N 2 0 352.526 3.690 20 0 FHADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165396 939053141 /nfs/dbraw/zinc/05/31/41/939053141.db2.gz JIBKYYAJUILGOU-OAQYLSRUSA-N 2 0 351.494 3.797 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658212239 939065095 /nfs/dbraw/zinc/06/50/95/939065095.db2.gz JMYWYTOTBDGFJH-CEMLEFRQSA-N 2 0 364.537 3.688 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000658209780 939070064 /nfs/dbraw/zinc/07/00/64/939070064.db2.gz SEYNFKKFJQMRGW-RHSMWYFYSA-N 2 0 351.332 3.844 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658235950 939077903 /nfs/dbraw/zinc/07/79/03/939077903.db2.gz QIAFUSROKGURQS-IYERYRBDSA-N 2 0 358.574 3.764 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658235661 939078060 /nfs/dbraw/zinc/07/80/60/939078060.db2.gz QIAFUSROKGURQS-IVOMFYJKSA-N 2 0 358.574 3.764 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000658303606 939095458 /nfs/dbraw/zinc/09/54/58/939095458.db2.gz BZBAAOXYKLLLJI-TZIWHRDSSA-N 2 0 371.569 3.573 20 0 FHADRP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319251 939110020 /nfs/dbraw/zinc/11/00/20/939110020.db2.gz YJTYRMXZXPDTHH-PXNSSMCTSA-N 2 0 350.510 3.738 20 0 FHADRP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319419 939111586 /nfs/dbraw/zinc/11/15/86/939111586.db2.gz AMWIAQGYTZQBQP-RXVVDRJESA-N 2 0 352.526 3.856 20 0 FHADRP COC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1F ZINC000658352358 939123783 /nfs/dbraw/zinc/12/37/83/939123783.db2.gz FKCCQVWHZGZMFE-SFHVURJKSA-N 2 0 354.897 3.878 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658353015 939123890 /nfs/dbraw/zinc/12/38/90/939123890.db2.gz BCGROCRIBPETAP-XXBNENTESA-N 3 0 355.570 3.609 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000658355018 939124779 /nfs/dbraw/zinc/12/47/79/939124779.db2.gz AIZXSHWNJPBJCX-SFHVURJKSA-N 2 0 357.542 3.732 20 0 FHADRP CCC[NH+]1CCC([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179411699 939151337 /nfs/dbraw/zinc/15/13/37/939151337.db2.gz QRWXNKZVAFOSFF-UHFFFAOYSA-N 2 0 367.578 3.830 20 0 FHADRP C[C@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(Cn4ccnc4)cn3)CC2)C1 ZINC000519231045 945237011 /nfs/dbraw/zinc/23/70/11/945237011.db2.gz ZDSMJOQLGLTMNO-PXNSSMCTSA-N 2 0 353.514 3.781 20 0 FHADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507445452 945240273 /nfs/dbraw/zinc/24/02/73/945240273.db2.gz WFNIEQGLUDSWRL-ZDUSSCGKSA-N 2 0 357.311 3.841 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427274702 945244306 /nfs/dbraw/zinc/24/43/06/945244306.db2.gz MWMVHNCAFRLNPJ-LJQANCHMSA-N 2 0 371.569 3.847 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414970271 945246373 /nfs/dbraw/zinc/24/63/73/945246373.db2.gz HKQZRHUCOPWERU-ROUUACIJSA-N 2 0 370.459 3.947 20 0 FHADRP CCCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000414971031 945257380 /nfs/dbraw/zinc/25/73/80/945257380.db2.gz HMHCMIPQTOVCJU-UHFFFAOYSA-N 2 0 372.557 3.711 20 0 FHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000467355985 945266144 /nfs/dbraw/zinc/26/61/44/945266144.db2.gz SFCVYXBMHVZMGA-OAQYLSRUSA-N 2 0 372.484 3.594 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427318532 945268468 /nfs/dbraw/zinc/26/84/68/945268468.db2.gz DNTLFZXVJXSZNX-HSALFYBXSA-N 2 0 371.569 3.561 20 0 FHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(Cl)s2)[C@@H](c2ccccc2)C1 ZINC000518269685 945274939 /nfs/dbraw/zinc/27/49/39/945274939.db2.gz KLHGKSKSIVMTPR-GOSISDBHSA-N 2 0 363.958 3.870 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)Cc2ccccc2)CC1 ZINC000685745670 939890654 /nfs/dbraw/zinc/89/06/54/939890654.db2.gz LKTLKBSHYQUMKN-QFIPXVFZSA-N 2 0 373.585 3.868 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCOC1 ZINC000507516748 945279703 /nfs/dbraw/zinc/27/97/03/945279703.db2.gz XRFACYNMPBNZGU-LPHOPBHVSA-N 2 0 350.934 3.957 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000431629314 939901878 /nfs/dbraw/zinc/90/18/78/939901878.db2.gz WDTOWFNPTBXZCH-JOCHJYFZSA-N 2 0 365.521 3.592 20 0 FHADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)c1 ZINC000061908378 939902855 /nfs/dbraw/zinc/90/28/55/939902855.db2.gz GQLHHBKBZKSLEQ-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427319855 945281960 /nfs/dbraw/zinc/28/19/60/945281960.db2.gz JUMDECQGQOJNCL-ZCNNSNEGSA-N 2 0 371.569 3.561 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@H]21 ZINC000375836176 939957686 /nfs/dbraw/zinc/95/76/86/939957686.db2.gz BJKWVRZFPTYKPA-ZIFCJYIRSA-N 2 0 356.539 3.600 20 0 FHADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507520570 945299912 /nfs/dbraw/zinc/29/99/12/945299912.db2.gz RLKFOFNCZSCSJR-WCIQWLHISA-N 2 0 356.535 3.590 20 0 FHADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507520569 945299955 /nfs/dbraw/zinc/29/99/55/945299955.db2.gz RLKFOFNCZSCSJR-NMLBUPMWSA-N 2 0 356.535 3.590 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000177484094 940228442 /nfs/dbraw/zinc/22/84/42/940228442.db2.gz UUGQCUMIUPZPNP-WMZOPIPTSA-N 2 0 353.551 3.627 20 0 FHADRP CCc1oc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc1C(=O)OC ZINC000570319326 940250488 /nfs/dbraw/zinc/25/04/88/940250488.db2.gz RSFGHRHILCZRHG-UHFFFAOYSA-N 2 0 358.482 3.712 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@@H]1[NH3+] ZINC000647497727 940376765 /nfs/dbraw/zinc/37/67/65/940376765.db2.gz SVIQGNVNKBFOPM-CTNGQTDRSA-N 2 0 353.510 3.837 20 0 FHADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c(C)n2n1 ZINC000376162185 940392315 /nfs/dbraw/zinc/39/23/15/940392315.db2.gz LNQOYLKWIXUTIZ-DKZVUGQWSA-N 2 0 363.509 3.690 20 0 FHADRP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000156176011 940419891 /nfs/dbraw/zinc/41/98/91/940419891.db2.gz ABLDTZIKQRGXOS-QHCPKHFHSA-N 2 0 369.528 3.725 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000685847743 940454582 /nfs/dbraw/zinc/45/45/82/940454582.db2.gz DBICCCZYAXEMRE-UYAOXDASSA-N 2 0 363.590 3.539 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431748779 940466195 /nfs/dbraw/zinc/46/61/95/940466195.db2.gz IVYNTEOZUZHXBQ-QFIPXVFZSA-N 2 0 367.537 3.836 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100857 940504378 /nfs/dbraw/zinc/50/43/78/940504378.db2.gz LOMQGKLAEWISNF-BJLQDIEVSA-N 2 0 352.526 3.781 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414104356 940508876 /nfs/dbraw/zinc/50/88/76/940508876.db2.gz FOYCMMIPQPVAMS-RXVVDRJESA-N 2 0 368.521 3.811 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000652139044 945332319 /nfs/dbraw/zinc/33/23/19/945332319.db2.gz ZRQMMUUXKXCJQB-FCHUYYIVSA-N 2 0 358.574 3.565 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115330 940603289 /nfs/dbraw/zinc/60/32/89/940603289.db2.gz MVAOURFIRIHBOK-TZIWHRDSSA-N 2 0 363.977 3.983 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1)C(C)C ZINC000519359138 945336513 /nfs/dbraw/zinc/33/65/13/945336513.db2.gz HJCVAZXIBLEUBU-RTBURBONSA-N 2 0 359.558 3.910 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000511505387 940674755 /nfs/dbraw/zinc/67/47/55/940674755.db2.gz DQVNRBPOMPCTJM-UHFFFAOYSA-N 2 0 360.933 3.998 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297015 940723936 /nfs/dbraw/zinc/72/39/36/940723936.db2.gz VUAJJFXRAIHKRW-LJQANCHMSA-N 2 0 355.457 3.841 20 0 FHADRP CC(C)N(CC[NH+](C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000440255242 945346751 /nfs/dbraw/zinc/34/67/51/945346751.db2.gz YMFZSADQRXUUOO-LJQANCHMSA-N 2 0 374.573 3.632 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000613492398 940775514 /nfs/dbraw/zinc/77/55/14/940775514.db2.gz LQFZNKKBMHCKCN-NHCUHLMSSA-N 2 0 363.590 3.612 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000414218680 940790395 /nfs/dbraw/zinc/79/03/95/940790395.db2.gz GJWZEIHEMLZNLL-HVETUWLQSA-N 2 0 354.494 3.590 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000414301045 940916727 /nfs/dbraw/zinc/91/67/27/940916727.db2.gz VLDXGJCHZQMILX-AGHHOFFYSA-N 2 0 356.485 3.544 20 0 FHADRP OC1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307263 940933378 /nfs/dbraw/zinc/93/33/78/940933378.db2.gz OZEMTRNSGHNXSS-DHIUTWEWSA-N 2 0 364.533 3.939 20 0 FHADRP CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414330069 940984778 /nfs/dbraw/zinc/98/47/78/940984778.db2.gz RJUSGOPQMJDKOD-GOSISDBHSA-N 2 0 359.558 3.688 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316040 941012148 /nfs/dbraw/zinc/01/21/48/941012148.db2.gz OELHQJAXCIPWPH-QGZVFWFLSA-N 2 0 356.341 3.598 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317494 941012765 /nfs/dbraw/zinc/01/27/65/941012765.db2.gz PXYBWSYADSCHMQ-GUYCJALGSA-N 2 0 356.341 3.596 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC(F)F ZINC000647542998 941062962 /nfs/dbraw/zinc/06/29/62/941062962.db2.gz GFFDRRJYCNTUEZ-HOTGVXAUSA-N 2 0 354.441 3.508 20 0 FHADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544403 941064221 /nfs/dbraw/zinc/06/42/21/941064221.db2.gz ZUCOOPIGDXMMIO-LSDHHAIUSA-N 2 0 354.441 3.508 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543403 941065340 /nfs/dbraw/zinc/06/53/40/941065340.db2.gz MQJBYLAJUQZEDL-HZPDHXFCSA-N 2 0 352.906 3.569 20 0 FHADRP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543372 941065377 /nfs/dbraw/zinc/06/53/77/941065377.db2.gz LYZPYPKGKJKAIU-SJORKVTESA-N 2 0 358.917 3.942 20 0 FHADRP Clc1cccc2c1SCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523099 941124622 /nfs/dbraw/zinc/12/46/22/941124622.db2.gz VLQWCFBCYHPPPD-JMLCCBQJSA-N 2 0 365.974 3.683 20 0 FHADRP Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c(C[NH+](C)C)c1 ZINC000659285958 941147135 /nfs/dbraw/zinc/14/71/35/941147135.db2.gz ULTNAZACRPZFNU-GOSISDBHSA-N 2 0 351.494 3.688 20 0 FHADRP [NH3+]C[C@@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccc2ccccc2c1 ZINC000659308503 941157065 /nfs/dbraw/zinc/15/70/65/941157065.db2.gz UOCCSDGBXDMHRP-JTHBVZDNSA-N 2 0 373.500 3.648 20 0 FHADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248422 941211736 /nfs/dbraw/zinc/21/17/36/941211736.db2.gz AIXZABIKLWQZGK-YJBOKZPZSA-N 2 0 355.457 3.696 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000166239986 941228066 /nfs/dbraw/zinc/22/80/66/941228066.db2.gz RAJMKXLAFYFLEE-GHTZIAJQSA-N 2 0 362.477 3.833 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425044963 941269698 /nfs/dbraw/zinc/26/96/98/941269698.db2.gz SHROIUVBDNWDHU-AWEZNQCLSA-N 2 0 364.559 3.503 20 0 FHADRP CCOCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000782949918 941327294 /nfs/dbraw/zinc/32/72/94/941327294.db2.gz JHHAPECKBJJEMH-UHFFFAOYSA-N 2 0 354.494 3.945 20 0 FHADRP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636152 941369687 /nfs/dbraw/zinc/36/96/87/941369687.db2.gz DXKBHXPUJUDVHK-SBHAEUEKSA-N 2 0 361.599 3.515 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415026182 941548965 /nfs/dbraw/zinc/54/89/65/941548965.db2.gz STZVIWJTDNLAAD-GHMZBOCLSA-N 2 0 365.827 3.793 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000415032649 941556145 /nfs/dbraw/zinc/55/61/45/941556145.db2.gz IBJGXNQMPXGKDH-UGKGYDQZSA-N 2 0 360.505 3.815 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415034288 941557341 /nfs/dbraw/zinc/55/73/41/941557341.db2.gz CPNFQFNHAIKSNO-OXJNMPFZSA-N 2 0 358.917 3.798 20 0 FHADRP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000111391623 941572874 /nfs/dbraw/zinc/57/28/74/941572874.db2.gz UNGNBZPACBQMPU-NOTZXAQLSA-N 2 0 363.505 3.930 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689945 941577173 /nfs/dbraw/zinc/57/71/73/941577173.db2.gz UMOFWLAYXZEVLI-IEBWSBKVSA-N 2 0 372.488 3.930 20 0 FHADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415062108 941580288 /nfs/dbraw/zinc/58/02/88/941580288.db2.gz ZRDAUKUZGMPLCT-FHERZECASA-N 2 0 355.979 3.529 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415085250 941590777 /nfs/dbraw/zinc/59/07/77/941590777.db2.gz PSJUPRIFEIRVSD-ARFHVFGLSA-N 2 0 372.431 3.647 20 0 FHADRP C[C@]1(C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)CC[NH2+]C1 ZINC000415093251 941601988 /nfs/dbraw/zinc/60/19/88/941601988.db2.gz UWPGBAMCOXOFSF-KRWDZBQOSA-N 2 0 357.325 3.631 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106544 941602017 /nfs/dbraw/zinc/60/20/17/941602017.db2.gz JRGVDSKWQPAONT-QZTJIDSGSA-N 2 0 356.432 3.732 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000415105671 941608185 /nfs/dbraw/zinc/60/81/85/941608185.db2.gz IPFQXBNVSNNZCU-QZTJIDSGSA-N 2 0 356.432 3.732 20 0 FHADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000415118402 941614116 /nfs/dbraw/zinc/61/41/16/941614116.db2.gz WMTXHBQNQMCTHI-UHFFFAOYSA-N 2 0 355.448 3.529 20 0 FHADRP NC1(C[NH2+]Cc2cc3ccccc3s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126401 941615532 /nfs/dbraw/zinc/61/55/32/941615532.db2.gz GORRBSJDQIYZPG-UHFFFAOYSA-N 2 0 365.546 3.984 20 0 FHADRP C[C@@]1(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]C1 ZINC000415127564 941615771 /nfs/dbraw/zinc/61/57/71/941615771.db2.gz VZKWZHFFVSMHKC-GOSISDBHSA-N 2 0 356.341 3.547 20 0 FHADRP Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415127393 941615921 /nfs/dbraw/zinc/61/59/21/941615921.db2.gz MWFRBGOUJPNUSF-NRFANRHFSA-N 2 0 361.493 3.549 20 0 FHADRP CC[C@@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415125836 941615966 /nfs/dbraw/zinc/61/59/66/941615966.db2.gz FNIIILKSEWVUAJ-NRFANRHFSA-N 2 0 351.538 3.763 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000415119943 941617240 /nfs/dbraw/zinc/61/72/40/941617240.db2.gz FNUKTJDPAFZCHC-RDJZCZTQSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+]C1(CNCc2cc(Cl)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415124909 941620597 /nfs/dbraw/zinc/62/05/97/941620597.db2.gz DASFLQKJCZUBMV-UHFFFAOYSA-N 2 0 361.892 3.562 20 0 FHADRP C[C@@H]1[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000415136302 941622190 /nfs/dbraw/zinc/62/21/90/941622190.db2.gz RKQODZUDESURNO-VJBMBRPKSA-N 2 0 363.549 3.762 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000415128543 941622195 /nfs/dbraw/zinc/62/21/95/941622195.db2.gz OHRNKGRWIDDFQP-YADHBBJMSA-N 2 0 358.526 3.726 20 0 FHADRP C[C@@H]1[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000415136303 941622280 /nfs/dbraw/zinc/62/22/80/941622280.db2.gz RKQODZUDESURNO-WWPVKYPJSA-N 2 0 363.549 3.762 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000415128542 941622284 /nfs/dbraw/zinc/62/22/84/941622284.db2.gz OHRNKGRWIDDFQP-VXKWHMMOSA-N 2 0 358.526 3.726 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415129324 941623219 /nfs/dbraw/zinc/62/32/19/941623219.db2.gz PFNGXZFTACKXNF-YADHBBJMSA-N 2 0 360.542 3.830 20 0 FHADRP NC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137871 941626303 /nfs/dbraw/zinc/62/63/03/941626303.db2.gz UHJYMKURAFVBND-ZWKOTPCHSA-N 2 0 369.475 3.691 20 0 FHADRP C[C@H](CCc1ccccc1)C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415138405 941626809 /nfs/dbraw/zinc/62/68/09/941626809.db2.gz VCTLWONVGHYYDI-OAQYLSRUSA-N 2 0 365.565 3.838 20 0 FHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415140845 941628183 /nfs/dbraw/zinc/62/81/83/941628183.db2.gz ZMYMKFBLTXOHFK-SFHVURJKSA-N 2 0 371.956 3.854 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)co2)cc1 ZINC000377401442 941696036 /nfs/dbraw/zinc/69/60/36/941696036.db2.gz PBXRJBXFSFLUNS-UHFFFAOYSA-N 2 0 355.482 3.658 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000729318304 941716798 /nfs/dbraw/zinc/71/67/98/941716798.db2.gz NHHBTQLLNOCGMQ-HXUWFJFHSA-N 2 0 371.569 3.943 20 0 FHADRP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000729330069 941718851 /nfs/dbraw/zinc/71/88/51/941718851.db2.gz ICAZSSCAGLIUAL-IFMALSPDSA-N 2 0 371.569 3.937 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415382726 941792997 /nfs/dbraw/zinc/79/29/97/941792997.db2.gz APJBIYJHLJZSOY-OAQYLSRUSA-N 2 0 374.573 3.798 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000513332350 941857765 /nfs/dbraw/zinc/85/77/65/941857765.db2.gz ZXCHXBIYFHLSOU-MJGOQNOKSA-N 2 0 364.603 3.911 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000413505575 941868135 /nfs/dbraw/zinc/86/81/35/941868135.db2.gz VBCQAQBQMYXMHY-GHTZIAJQSA-N 2 0 357.542 3.617 20 0 FHADRP Cc1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000433770762 941877414 /nfs/dbraw/zinc/87/74/14/941877414.db2.gz JAPUCYVKCGQVGR-KUHUBIRLSA-N 2 0 359.901 3.662 20 0 FHADRP C[N@H+](C1CC[NH+](C2CCOCC2)CC1)[C@@H]1CSCCc2ccccc21 ZINC000377656744 941878947 /nfs/dbraw/zinc/87/89/47/941878947.db2.gz YJKRFZMGAANHET-OAQYLSRUSA-N 2 0 360.567 3.592 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)CC1 ZINC000093133021 941892365 /nfs/dbraw/zinc/89/23/65/941892365.db2.gz QMNIVOUCILGBBU-IBGZPJMESA-N 2 0 355.551 3.627 20 0 FHADRP C[N@H+](Cc1cnc(-c2ccco2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377699374 941908787 /nfs/dbraw/zinc/90/87/87/941908787.db2.gz LZVGKGVWVQOHGO-UHFFFAOYSA-N 2 0 354.479 3.899 20 0 FHADRP COCCOCc1ccc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc1 ZINC000377701582 941912134 /nfs/dbraw/zinc/91/21/34/941912134.db2.gz UCHBTLLKSCPEHD-NRFANRHFSA-N 2 0 372.553 3.546 20 0 FHADRP CCC[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377704596 941913890 /nfs/dbraw/zinc/91/38/90/941913890.db2.gz RNAVAYJLUZUERS-SSWODZADSA-N 2 0 355.570 3.813 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000509932084 941990507 /nfs/dbraw/zinc/99/05/07/941990507.db2.gz SAPHSWVRNOLBNM-OALUTQOASA-N 2 0 354.542 3.935 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523824 941995448 /nfs/dbraw/zinc/99/54/48/941995448.db2.gz CLECJKXUHNWDNS-SIKLNZKXSA-N 2 0 352.526 3.862 20 0 FHADRP CC1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513526758 941997603 /nfs/dbraw/zinc/99/76/03/941997603.db2.gz QATVNQNVQPGJAK-QFIPXVFZSA-N 2 0 352.526 3.862 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543931 942004901 /nfs/dbraw/zinc/00/49/01/942004901.db2.gz BCIIBOSDGFFBEP-AZUAARDMSA-N 2 0 362.521 3.964 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000433956983 942016644 /nfs/dbraw/zinc/01/66/44/942016644.db2.gz GKIAVDAQTBXVMY-KDXIVRHGSA-N 2 0 374.573 3.756 20 0 FHADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3ccccc3)s2)CC1 ZINC000513578002 942021977 /nfs/dbraw/zinc/02/19/77/942021977.db2.gz NDPMJETYKWLFNJ-QGZVFWFLSA-N 2 0 358.551 3.940 20 0 FHADRP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501896733 942111845 /nfs/dbraw/zinc/11/18/45/942111845.db2.gz FBDXREHRFIKNHM-LJQANCHMSA-N 2 0 371.491 3.994 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415897260 942123656 /nfs/dbraw/zinc/12/36/56/942123656.db2.gz PHRPIPYZHUJLAF-UHFFFAOYSA-N 2 0 372.557 3.698 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000415909397 942128493 /nfs/dbraw/zinc/12/84/93/942128493.db2.gz FYYMIJWBVQRUJQ-UHFFFAOYSA-N 2 0 358.530 3.572 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000280232979 942141749 /nfs/dbraw/zinc/14/17/49/942141749.db2.gz HLTJSRWUFOWJCY-QGZVFWFLSA-N 2 0 371.491 3.644 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000415916583 942142393 /nfs/dbraw/zinc/14/23/93/942142393.db2.gz HOGKEFBBWPXGMQ-MJGOQNOKSA-N 2 0 358.530 3.524 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000415911372 942145341 /nfs/dbraw/zinc/14/53/41/942145341.db2.gz YBKUZNOROMPOBT-UHFFFAOYSA-N 2 0 360.546 3.676 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000415911904 942146028 /nfs/dbraw/zinc/14/60/28/942146028.db2.gz ZFJGOLLOPQBJLZ-FQEVSTJZSA-N 2 0 354.498 3.529 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000415923547 942152841 /nfs/dbraw/zinc/15/28/41/942152841.db2.gz WKCVTFVOOHWTNS-KRWDZBQOSA-N 2 0 372.538 3.501 20 0 FHADRP CC[C@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000415925986 942154816 /nfs/dbraw/zinc/15/48/16/942154816.db2.gz CDSZXJYVJKTAFY-NRFANRHFSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414465811 942165195 /nfs/dbraw/zinc/16/51/95/942165195.db2.gz YNNGWUVIOZRECW-UHFFFAOYSA-N 2 0 357.464 3.520 20 0 FHADRP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000502008363 942166551 /nfs/dbraw/zinc/16/65/51/942166551.db2.gz OEPXBWJFQBCWNL-DHIUTWEWSA-N 2 0 373.585 3.691 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415945954 942178640 /nfs/dbraw/zinc/17/86/40/942178640.db2.gz SGDNNDVQFAWGQU-YLJYHZDGSA-N 2 0 366.509 3.753 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000415955495 942197048 /nfs/dbraw/zinc/19/70/48/942197048.db2.gz NBWSOCOPFLOIOB-ICSRJNTNSA-N 2 0 360.546 3.818 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415962958 942202052 /nfs/dbraw/zinc/20/20/52/942202052.db2.gz UQTGHCGJUAJQMY-MLGOLLRUSA-N 2 0 372.435 3.501 20 0 FHADRP CCC[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415958545 942207916 /nfs/dbraw/zinc/20/79/16/942207916.db2.gz NQFSBFXISLKMLE-NRFANRHFSA-N 2 0 366.509 3.664 20 0 FHADRP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000500987868 942247390 /nfs/dbraw/zinc/24/73/90/942247390.db2.gz ALJGSHPDFAYEKI-XMMPIXPASA-N 2 0 365.565 3.814 20 0 FHADRP COc1ccc2oc([C@@H](C)[NH2+]CCCN3CC[NH+](C(C)C)CC3)c(C)c2c1 ZINC000501022899 942266706 /nfs/dbraw/zinc/26/67/06/942266706.db2.gz KNQGJCXCDQEVSU-GOSISDBHSA-N 2 0 373.541 3.817 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420976399 942287299 /nfs/dbraw/zinc/28/72/99/942287299.db2.gz GYLFSAWOKJRFKA-UHFFFAOYSA-N 2 0 369.475 3.697 20 0 FHADRP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053011 942289169 /nfs/dbraw/zinc/28/91/69/942289169.db2.gz QRBXYJYYIRQYGG-UHFFFAOYSA-N 2 0 372.900 3.522 20 0 FHADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000501079943 942299279 /nfs/dbraw/zinc/29/92/79/942299279.db2.gz VNQVWWOEUUMXAK-QHCPKHFHSA-N 2 0 357.586 3.672 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000584556729 942300737 /nfs/dbraw/zinc/30/07/37/942300737.db2.gz REMZQOQTHGDYCA-AATRIKPKSA-N 2 0 352.469 3.801 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSC2CCCCC2)CC1 ZINC000501139720 942325524 /nfs/dbraw/zinc/32/55/24/942325524.db2.gz CUERPCFBNHCDQL-KDURUIRLSA-N 2 0 353.620 3.543 20 0 FHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549397481 942336952 /nfs/dbraw/zinc/33/69/52/942336952.db2.gz KAQXBDCQSFANAI-UHFFFAOYSA-N 2 0 359.558 3.702 20 0 FHADRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000378181475 942359312 /nfs/dbraw/zinc/35/93/12/942359312.db2.gz CNKWQXHLQNAAHM-MRXNPFEDSA-N 3 0 365.512 3.812 20 0 FHADRP Cc1ncc(CN2CC[C@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)[C@H](C)C2)s1 ZINC000378184167 942364613 /nfs/dbraw/zinc/36/46/13/942364613.db2.gz MEVYBSMFVYSSOT-BEFAXECRSA-N 2 0 364.603 3.514 20 0 FHADRP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501285808 942387940 /nfs/dbraw/zinc/38/79/40/942387940.db2.gz RGUMXTXVJRXQTA-BVSLBCMMSA-N 2 0 371.569 3.935 20 0 FHADRP CCOc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414822509 942420290 /nfs/dbraw/zinc/42/02/90/942420290.db2.gz AJOHVHZPJAITEC-HIFRSBDPSA-N 2 0 360.420 3.504 20 0 FHADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2ccnn2C)c1 ZINC000549402946 942421371 /nfs/dbraw/zinc/42/13/71/942421371.db2.gz HFHBQTXFOXJXJP-UHFFFAOYSA-N 2 0 352.526 3.703 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000416169291 942428899 /nfs/dbraw/zinc/42/88/99/942428899.db2.gz DDBJAFWYRSBRKG-OAQYLSRUSA-N 2 0 357.542 3.593 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C[C@@H]1C ZINC000461081570 942443445 /nfs/dbraw/zinc/44/34/45/942443445.db2.gz AGGKLYSDWCHJLH-IOMROCGXSA-N 2 0 360.542 3.984 20 0 FHADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)N1CCCC1 ZINC000236672079 942443979 /nfs/dbraw/zinc/44/39/79/942443979.db2.gz VRFPVFHSFRUQRV-IPQPSQTFSA-N 2 0 365.562 3.627 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000414828291 942468248 /nfs/dbraw/zinc/46/82/48/942468248.db2.gz ZHDIQXLWTFBBCX-QWRGUYRKSA-N 2 0 365.237 3.946 20 0 FHADRP O=C(Nc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1)c1ccccc1Cl ZINC000414833282 942493505 /nfs/dbraw/zinc/49/35/05/942493505.db2.gz RNWWCDFEQROSII-INIZCTEOSA-N 2 0 357.885 3.682 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000421370367 942521644 /nfs/dbraw/zinc/52/16/44/942521644.db2.gz ILVZJWDQFAXNQT-HSZRJFAPSA-N 2 0 357.586 3.918 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000421375467 942526079 /nfs/dbraw/zinc/52/60/79/942526079.db2.gz PCFBSQYANCNMPB-PCKAHOCUSA-N 2 0 351.332 3.769 20 0 FHADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819511 942538202 /nfs/dbraw/zinc/53/82/02/942538202.db2.gz YEWWFFONSAJETP-INIZCTEOSA-N 2 0 368.468 3.783 20 0 FHADRP C[NH+](C)[C@H](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000416248296 942550115 /nfs/dbraw/zinc/55/01/15/942550115.db2.gz QRQNLJXSZMHJFM-LEWJYISDSA-N 2 0 351.494 3.867 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccco1 ZINC000163965553 942602093 /nfs/dbraw/zinc/60/20/93/942602093.db2.gz WQDVLAPTBLZODM-QGZVFWFLSA-N 2 0 358.482 3.620 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000420289643 942606747 /nfs/dbraw/zinc/60/67/47/942606747.db2.gz KMQCMEWPHKKGBJ-UHFFFAOYSA-N 2 0 358.917 3.927 20 0 FHADRP OC1(C[NH2+]Cc2ccc3occc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000414522949 942607802 /nfs/dbraw/zinc/60/78/02/942607802.db2.gz HMSFYOGOVMZYLX-UHFFFAOYSA-N 2 0 350.462 3.550 20 0 FHADRP COc1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000420317613 942619394 /nfs/dbraw/zinc/61/93/94/942619394.db2.gz NMLMCIJFJQFNNN-GOSISDBHSA-N 2 0 354.494 3.706 20 0 FHADRP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420320446 942620330 /nfs/dbraw/zinc/62/03/30/942620330.db2.gz QFFLJDMXVPZOIQ-QVKFZJNVSA-N 2 0 372.534 3.712 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340187 942623861 /nfs/dbraw/zinc/62/38/61/942623861.db2.gz MTDUBIPXOZSIRM-IPMKNSEASA-N 2 0 357.542 3.767 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc1 ZINC000420328346 942630580 /nfs/dbraw/zinc/63/05/80/942630580.db2.gz ZEYFGVFTDIWCOQ-IBGZPJMESA-N 2 0 354.494 3.589 20 0 FHADRP CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420358492 942636539 /nfs/dbraw/zinc/63/65/39/942636539.db2.gz JEISYTYQSGYPTC-MRXNPFEDSA-N 2 0 369.475 3.601 20 0 FHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420362336 942638646 /nfs/dbraw/zinc/63/86/46/942638646.db2.gz MZUOVBYJTKJJDX-FQEVSTJZSA-N 2 0 367.493 3.785 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000420370121 942643230 /nfs/dbraw/zinc/64/32/30/942643230.db2.gz CFGNRJVTWHWKLL-SJLPKXTDSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420378287 942646384 /nfs/dbraw/zinc/64/63/84/942646384.db2.gz LZCCMUIPEYCLMB-BVGQSLNGSA-N 2 0 367.331 3.728 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420381764 942647382 /nfs/dbraw/zinc/64/73/82/942647382.db2.gz PBVKFTXZFHLYPC-BVGQSLNGSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)C1 ZINC000420384813 942649090 /nfs/dbraw/zinc/64/90/90/942649090.db2.gz GVIHOLMJTQZKAA-YOEHRIQHSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420396918 942655119 /nfs/dbraw/zinc/65/51/19/942655119.db2.gz WSWUJNUQBQDVAY-BVGQSLNGSA-N 2 0 356.432 3.985 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420396919 942655281 /nfs/dbraw/zinc/65/52/81/942655281.db2.gz WSWUJNUQBQDVAY-FSPWUOQZSA-N 2 0 356.432 3.985 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420375715 942655762 /nfs/dbraw/zinc/65/57/62/942655762.db2.gz JILAVHPKCZVQSZ-BVGQSLNGSA-N 2 0 372.431 3.865 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420418584 942658798 /nfs/dbraw/zinc/65/87/98/942658798.db2.gz WYYMWBCTNAOOQR-CCKFTAQKSA-N 2 0 353.913 3.592 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420408401 942664232 /nfs/dbraw/zinc/66/42/32/942664232.db2.gz WGFILJUJWIFECC-VQTJNVASSA-N 2 0 360.505 3.965 20 0 FHADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000502708588 942674421 /nfs/dbraw/zinc/67/44/21/942674421.db2.gz QREIZWAZJQTQFD-GGAORHGYSA-N 2 0 373.585 3.692 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000182376611 942726478 /nfs/dbraw/zinc/72/64/78/942726478.db2.gz CGGFZPPAMJULNY-ROUUACIJSA-N 3 0 359.558 3.672 20 0 FHADRP CC[C@@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)[NH+](C)C ZINC000514077195 942729503 /nfs/dbraw/zinc/72/95/03/942729503.db2.gz MZDNSWAQRGJOGJ-IRXDYDNUSA-N 2 0 373.463 3.545 20 0 FHADRP CC[C@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)[NH+](C)C ZINC000514077194 942729704 /nfs/dbraw/zinc/72/97/04/942729704.db2.gz MZDNSWAQRGJOGJ-IAGOWNOFSA-N 2 0 373.463 3.545 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000514082729 942734160 /nfs/dbraw/zinc/73/41/60/942734160.db2.gz IDXDXDLNQDXRFM-UFYCRDLUSA-N 2 0 355.457 3.975 20 0 FHADRP CC(C)CNC(=O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979206 942735114 /nfs/dbraw/zinc/73/51/14/942735114.db2.gz JYDYBPAPWHDMFW-HSZRJFAPSA-N 2 0 371.569 3.527 20 0 FHADRP COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000514086957 942736964 /nfs/dbraw/zinc/73/69/64/942736964.db2.gz DTODDCUXQKETIO-HNNXBMFYSA-N 2 0 358.507 3.981 20 0 FHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)C1 ZINC000182491851 942747835 /nfs/dbraw/zinc/74/78/35/942747835.db2.gz FYHYIWLOAUSGCE-RBUKOAKNSA-N 2 0 359.558 3.674 20 0 FHADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000514104219 942748299 /nfs/dbraw/zinc/74/82/99/942748299.db2.gz HWEIZXAELLWZAV-GOSISDBHSA-N 2 0 373.463 3.652 20 0 FHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]CCC3CCCCCC3)cc2)CC1 ZINC000414551236 942793229 /nfs/dbraw/zinc/79/32/29/942793229.db2.gz FAOZJDBODKMQHL-UHFFFAOYSA-N 2 0 371.569 3.834 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000502919066 942855909 /nfs/dbraw/zinc/85/59/09/942855909.db2.gz OIGFUWGELDSIEI-QRVBRYPASA-N 2 0 374.573 3.535 20 0 FHADRP CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000660011601 942858759 /nfs/dbraw/zinc/85/87/59/942858759.db2.gz PFIUVEJFMDNPMB-FCHUYYIVSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000421889586 942866614 /nfs/dbraw/zinc/86/66/14/942866614.db2.gz XMCAFQHNOKWKBV-IPJUCJBFSA-N 2 0 356.514 3.523 20 0 FHADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](N)c2ccc(C(C)C)cc2)cc1 ZINC000414850557 942866917 /nfs/dbraw/zinc/86/69/17/942866917.db2.gz SOVJEBONGNCVFO-HRAATJIYSA-N 2 0 369.509 3.825 20 0 FHADRP C[C@@H](Cc1ccccc1F)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363862139 942883910 /nfs/dbraw/zinc/88/39/10/942883910.db2.gz GWDUYBBRMYJAOC-SFHVURJKSA-N 2 0 361.549 3.543 20 0 FHADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000378556421 942886956 /nfs/dbraw/zinc/88/69/56/942886956.db2.gz ZZJQPJPZMHTNNF-MOPGFXCFSA-N 2 0 369.475 3.611 20 0 FHADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000503004324 942905791 /nfs/dbraw/zinc/90/57/91/942905791.db2.gz JAGUDDSMKBSPGV-HZPDHXFCSA-N 2 0 369.347 3.737 20 0 FHADRP C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000503052906 942926698 /nfs/dbraw/zinc/92/66/98/942926698.db2.gz NFYWPGXGLMIPTH-QGZVFWFLSA-N 2 0 368.525 3.722 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000503048263 942939443 /nfs/dbraw/zinc/93/94/43/942939443.db2.gz BBIOIQJZFNXPJA-CEXWTWQISA-N 2 0 374.573 3.535 20 0 FHADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000271811129 943053763 /nfs/dbraw/zinc/05/37/63/943053763.db2.gz KTEAVGPBVGNLDS-UHFFFAOYSA-N 2 0 369.896 3.944 20 0 FHADRP CN(c1ccccc1C[N@H+](C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000505580767 943078251 /nfs/dbraw/zinc/07/82/51/943078251.db2.gz AMNQFZBQXIUGEX-UHFFFAOYSA-N 2 0 355.501 3.988 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000414651761 943102511 /nfs/dbraw/zinc/10/25/11/943102511.db2.gz GDXVOIMVAWRJOR-IBGZPJMESA-N 2 0 360.505 3.937 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000272178625 943107130 /nfs/dbraw/zinc/10/71/30/943107130.db2.gz LCRLJHOQRKPYMJ-GOSISDBHSA-N 2 0 359.558 3.719 20 0 FHADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656488 943117478 /nfs/dbraw/zinc/11/74/78/943117478.db2.gz FVTAZRCOBPBSJB-QAPCUYQASA-N 2 0 358.457 3.582 20 0 FHADRP c1ccc(-c2noc([C@@H](c3ccccc3)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000514673381 943205214 /nfs/dbraw/zinc/20/52/14/943205214.db2.gz JHAFCWKSFCEUHF-QHAWAJNXSA-N 2 0 374.488 3.757 20 0 FHADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1 ZINC000414676246 943208524 /nfs/dbraw/zinc/20/85/24/943208524.db2.gz RYOKHSHTVHDANP-LJQANCHMSA-N 2 0 360.505 3.889 20 0 FHADRP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422696100 943235463 /nfs/dbraw/zinc/23/54/63/943235463.db2.gz QSIUNCUZLBANSK-AEFFLSMTSA-N 2 0 355.482 3.880 20 0 FHADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc2ccccc2c1 ZINC000511592455 943239361 /nfs/dbraw/zinc/23/93/61/943239361.db2.gz LMDCLYRPBOELPZ-UHFFFAOYSA-N 2 0 367.537 3.651 20 0 FHADRP CCOc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000422688904 943244992 /nfs/dbraw/zinc/24/49/92/943244992.db2.gz DOECXFVJNHPEGM-GFCCVEGCSA-N 2 0 365.424 3.700 20 0 FHADRP CC[N@H+](C)Cc1cccc(CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)c1 ZINC000422733584 943250615 /nfs/dbraw/zinc/25/06/15/943250615.db2.gz BKBGFEXXSCSDDR-GOTSBHOMSA-N 2 0 367.537 3.730 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422733171 943250629 /nfs/dbraw/zinc/25/06/29/943250629.db2.gz QSMRKNLMUKPWKG-LIRRHRJNSA-N 2 0 370.368 3.936 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714471 943254103 /nfs/dbraw/zinc/25/41/03/943254103.db2.gz RBRBGQVWDYDEPT-APWZRJJASA-N 2 0 369.475 3.777 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422718731 943256432 /nfs/dbraw/zinc/25/64/32/943256432.db2.gz XLBLTLUYBKDWNQ-XLIONFOSSA-N 2 0 355.482 3.880 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Br)s1 ZINC000422723106 943258923 /nfs/dbraw/zinc/25/89/23/943258923.db2.gz ZPFLOUMVEGVQDJ-DOMZBBRYSA-N 2 0 353.329 3.601 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC000422758767 943262978 /nfs/dbraw/zinc/26/29/78/943262978.db2.gz JWRCVEJOWONGLK-QWHCGFSZSA-N 2 0 362.315 3.893 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000422739052 943265796 /nfs/dbraw/zinc/26/57/96/943265796.db2.gz ZUSHXFKQCOBBIG-KGLIPLIRSA-N 2 0 372.431 3.677 20 0 FHADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422744046 943268054 /nfs/dbraw/zinc/26/80/54/943268054.db2.gz JRAUGNUAQDXQPF-UVUJQTEASA-N 2 0 371.569 3.733 20 0 FHADRP CCn1nc(C)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000093006792 943269273 /nfs/dbraw/zinc/26/92/73/943269273.db2.gz CGEQUUYBGOXDAT-UHFFFAOYSA-N 2 0 354.542 3.864 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422744433 943269481 /nfs/dbraw/zinc/26/94/81/943269481.db2.gz SWKSAQVZRJRJAE-KFNAQCHYSA-N 2 0 355.345 3.964 20 0 FHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752396 943272852 /nfs/dbraw/zinc/27/28/52/943272852.db2.gz CTNAKJJTPRGVPY-QWJIHBKKSA-N 2 0 358.526 3.673 20 0 FHADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000422767977 943275202 /nfs/dbraw/zinc/27/52/02/943275202.db2.gz SUXKYNZOKJWBJE-SLFFLAALSA-N 2 0 360.542 3.927 20 0 FHADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000422767976 943275618 /nfs/dbraw/zinc/27/56/18/943275618.db2.gz SUXKYNZOKJWBJE-HSALFYBXSA-N 2 0 360.542 3.927 20 0 FHADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768797 943275944 /nfs/dbraw/zinc/27/59/44/943275944.db2.gz UYLKECMGERJJEP-JZGRTCEGSA-N 2 0 369.475 3.676 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762621 943284099 /nfs/dbraw/zinc/28/40/99/943284099.db2.gz ILNUPFBAWAEYBG-RTFZILSDSA-N 2 0 368.521 3.965 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422766221 943284872 /nfs/dbraw/zinc/28/48/72/943284872.db2.gz RAFDXXYTRACROD-STQMWFEESA-N 2 0 373.324 3.965 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000422766219 943284878 /nfs/dbraw/zinc/28/48/78/943284878.db2.gz RAFDXXYTRACROD-OLZOCXBDSA-N 2 0 373.324 3.965 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422795246 943285647 /nfs/dbraw/zinc/28/56/47/943285647.db2.gz ZXZZXDWGPYSPQZ-CQSZACIVSA-N 2 0 352.507 3.866 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797153 943286626 /nfs/dbraw/zinc/28/66/26/943286626.db2.gz LEPZGNRPKQKWLY-BHDDXSALSA-N 2 0 353.510 3.813 20 0 FHADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCCC2 ZINC000422809085 943290849 /nfs/dbraw/zinc/29/08/49/943290849.db2.gz RGUBBSOOQFXLJS-MJUUVYJYSA-N 2 0 356.510 3.570 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422811117 943291662 /nfs/dbraw/zinc/29/16/62/943291662.db2.gz OLGPLOQNNCCTFK-CYBMUJFWSA-N 2 0 367.415 3.778 20 0 FHADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422792138 943294357 /nfs/dbraw/zinc/29/43/57/943294357.db2.gz QQQLTWUGGABMEU-ZNLUXHQJSA-N 2 0 352.478 3.608 20 0 FHADRP CC(C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417010736 943295682 /nfs/dbraw/zinc/29/56/82/943295682.db2.gz QDVLSWFORPRAKL-NHCUHLMSSA-N 2 0 374.573 3.522 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422829303 943297339 /nfs/dbraw/zinc/29/73/39/943297339.db2.gz BRKGSBJHJYESLA-DSKINZAPSA-N 2 0 357.567 3.508 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422841017 943301886 /nfs/dbraw/zinc/30/18/86/943301886.db2.gz VASMYBYUSFDOFK-JTHBVZDNSA-N 3 0 371.569 3.590 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417038802 943304994 /nfs/dbraw/zinc/30/49/94/943304994.db2.gz JENHSUWXDGSXKJ-ZVDOUQERSA-N 2 0 374.573 3.524 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417038789 943305156 /nfs/dbraw/zinc/30/51/56/943305156.db2.gz JENHSUWXDGSXKJ-SBHAEUEKSA-N 2 0 374.573 3.524 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422867558 943311526 /nfs/dbraw/zinc/31/15/26/943311526.db2.gz SHPSJTZSJCGXOL-WMLDXEAASA-N 2 0 352.906 3.702 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422843187 943312262 /nfs/dbraw/zinc/31/22/62/943312262.db2.gz HHTXEYGABRHHDO-DYESRHJHSA-N 2 0 366.509 3.734 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422879320 943314296 /nfs/dbraw/zinc/31/42/96/943314296.db2.gz VARWHBOVTXGRKW-DOIPELPJSA-N 2 0 358.526 3.563 20 0 FHADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@@H]2CCCO2)c1 ZINC000422878157 943314504 /nfs/dbraw/zinc/31/45/04/943314504.db2.gz SODSIERQXDPIOQ-JXFKEZNVSA-N 2 0 369.509 3.566 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnccc1N ZINC000422880445 943315085 /nfs/dbraw/zinc/31/50/85/943315085.db2.gz LWVMFCVGOJSVRW-KURKYZTESA-N 2 0 352.526 3.823 20 0 FHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813114 943317107 /nfs/dbraw/zinc/31/71/07/943317107.db2.gz XLPXNEODGRQYCL-UONOGXRCSA-N 2 0 357.311 3.841 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422890155 943319364 /nfs/dbraw/zinc/31/93/64/943319364.db2.gz RKHJDFYCLOXZAE-CTNGQTDRSA-N 2 0 372.896 3.737 20 0 FHADRP C[C@@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422889988 943319580 /nfs/dbraw/zinc/31/95/80/943319580.db2.gz HECBQSXPRGKIAD-KZNAEPCWSA-N 2 0 352.526 3.823 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422873800 943322424 /nfs/dbraw/zinc/32/24/24/943322424.db2.gz BCLSOFLZZKXEAO-MSOLQXFVSA-N 3 0 366.553 3.931 20 0 FHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422873560 943322947 /nfs/dbraw/zinc/32/29/47/943322947.db2.gz LOUNCDZDVHZGPI-UTKZUKDTSA-N 2 0 374.431 3.942 20 0 FHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422875075 943323307 /nfs/dbraw/zinc/32/33/07/943323307.db2.gz BPONCLIGFDESIN-SLFFLAALSA-N 2 0 362.945 3.899 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422905140 943325645 /nfs/dbraw/zinc/32/56/45/943325645.db2.gz YQJUHOCOIPOPKA-DENIHFKCSA-N 2 0 352.453 3.703 20 0 FHADRP COc1ccc([C@H](Nc2cccc(OCC[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422906676 943327242 /nfs/dbraw/zinc/32/72/42/943327242.db2.gz ACRVKNXTROGWJO-YADHBBJMSA-N 2 0 369.509 3.541 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911197 943328259 /nfs/dbraw/zinc/32/82/59/943328259.db2.gz KHCBYRLWSMJXFO-CABCVRRESA-N 2 0 350.457 3.874 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916846 943330269 /nfs/dbraw/zinc/33/02/69/943330269.db2.gz BQXAAXKXGSDOKM-XOKHGSTOSA-N 2 0 354.897 3.503 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NC1(C[NH3+])CCCC1)C1CCCCC1 ZINC000414703585 943331411 /nfs/dbraw/zinc/33/14/11/943331411.db2.gz CMAHFTMIBPSUNH-UHFFFAOYSA-N 2 0 358.530 3.844 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1Oc2ccccc2[C@H]1C ZINC000422922563 943332946 /nfs/dbraw/zinc/33/29/46/943332946.db2.gz UAMFBIRIBKKZQO-DBEUENONSA-N 2 0 364.489 3.785 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422918909 943341603 /nfs/dbraw/zinc/34/16/03/943341603.db2.gz IXFABADBTFBXGU-XYEHWOGUSA-N 2 0 357.542 3.630 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422962526 943342291 /nfs/dbraw/zinc/34/22/91/943342291.db2.gz CPQLBBOYFILFAX-WZONZLPQSA-N 3 0 351.538 3.893 20 0 FHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422966832 943343347 /nfs/dbraw/zinc/34/33/47/943343347.db2.gz NZJCAMKSVVTKCZ-RJGXRXQPSA-N 2 0 350.506 3.909 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422944258 943344753 /nfs/dbraw/zinc/34/47/53/943344753.db2.gz LEVLLIDGQIMODD-HNNXBMFYSA-N 2 0 353.919 3.615 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949444 943346005 /nfs/dbraw/zinc/34/60/05/943346005.db2.gz UFTZVJPBHLFMFH-FXAUUADQSA-N 2 0 350.506 3.627 20 0 FHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCCO2 ZINC000422950089 943346668 /nfs/dbraw/zinc/34/66/68/943346668.db2.gz VERJDRBEKPWNFT-XQBPLPMBSA-N 2 0 368.452 3.885 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422951793 943347317 /nfs/dbraw/zinc/34/73/17/943347317.db2.gz AERPWOHVVAFTRR-LBPRGKRZSA-N 2 0 353.388 3.597 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000422952406 943347661 /nfs/dbraw/zinc/34/76/61/943347661.db2.gz AZKRFTAFFFWYIC-HNNXBMFYSA-N 2 0 350.466 3.517 20 0 FHADRP Fc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422956317 943348621 /nfs/dbraw/zinc/34/86/21/943348621.db2.gz PGWZOTNOEFZQBV-QUCCMNQESA-N 2 0 360.860 3.867 20 0 FHADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422957658 943350030 /nfs/dbraw/zinc/35/00/30/943350030.db2.gz USUWDLWTOORVKU-PWRODBHTSA-N 2 0 359.583 3.958 20 0 FHADRP COc1ccc([C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422961179 943351492 /nfs/dbraw/zinc/35/14/92/943351492.db2.gz AZFQOQPUENCJLV-SJBKTWHCSA-N 2 0 369.509 3.508 20 0 FHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503745492 943352596 /nfs/dbraw/zinc/35/25/96/943352596.db2.gz ZWZSMVMZDYSXRX-QUCCMNQESA-N 2 0 374.573 3.680 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422970835 943354733 /nfs/dbraw/zinc/35/47/33/943354733.db2.gz XDEOZRAAEUTOGC-RXVVDRJESA-N 2 0 360.542 3.783 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374273 943355595 /nfs/dbraw/zinc/35/55/95/943355595.db2.gz PXIZCIMUQPTWSY-HZPDHXFCSA-N 2 0 352.507 3.770 20 0 FHADRP COc1ccc([C@@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc2OC)cc1 ZINC000423000979 943360698 /nfs/dbraw/zinc/36/06/98/943360698.db2.gz HFWMXYKNFRHYMR-CWZMJNCASA-N 2 0 354.494 3.900 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423003289 943361507 /nfs/dbraw/zinc/36/15/07/943361507.db2.gz HHFBAHLYJCOTLU-RJGXRXQPSA-N 3 0 367.537 3.922 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002976 943362032 /nfs/dbraw/zinc/36/20/32/943362032.db2.gz KKHCOBBPOPUBFI-BBTUJRGHSA-N 3 0 366.553 3.800 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002978 943362089 /nfs/dbraw/zinc/36/20/89/943362089.db2.gz KKHCOBBPOPUBFI-LVCYWYKZSA-N 3 0 366.553 3.800 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423010497 943363892 /nfs/dbraw/zinc/36/38/92/943363892.db2.gz GPSFWGOQGULKPR-KGLIPLIRSA-N 2 0 365.827 3.772 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923794 943365244 /nfs/dbraw/zinc/36/52/44/943365244.db2.gz OADPNQPUSTVZDH-VQTJNVASSA-N 2 0 373.566 3.940 20 0 FHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019702 943366351 /nfs/dbraw/zinc/36/63/51/943366351.db2.gz WUYKQGFAJXNLKA-KXYFNNKZSA-N 2 0 370.468 3.747 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000435380772 943368881 /nfs/dbraw/zinc/36/88/81/943368881.db2.gz PWNDPWWKEQNHHR-NRFANRHFSA-N 2 0 351.494 3.625 20 0 FHADRP C[N@@H+]1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022946 943369482 /nfs/dbraw/zinc/36/94/82/943369482.db2.gz ISHIISYELWPADL-FDPIWHGQSA-N 2 0 353.913 3.722 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000423042167 943374935 /nfs/dbraw/zinc/37/49/35/943374935.db2.gz KJJXIBHJYQAPCH-OXQOHEQNSA-N 2 0 374.500 3.673 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1-c1ccccc1 ZINC000423065613 943380147 /nfs/dbraw/zinc/38/01/47/943380147.db2.gz VBLNUNVCPKCSCT-XPWALMASSA-N 2 0 350.506 3.909 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cc3cccc(F)c3o2)CC[NH2+]CC1 ZINC000423068461 943380877 /nfs/dbraw/zinc/38/08/77/943380877.db2.gz JXEAWFGRSPQZNJ-KBPBESRZSA-N 2 0 362.445 3.544 20 0 FHADRP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050211 943383134 /nfs/dbraw/zinc/38/31/34/943383134.db2.gz YKEVNAYDGAMGFI-IPJJNNNSSA-N 2 0 368.452 3.885 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423051465 943383785 /nfs/dbraw/zinc/38/37/85/943383785.db2.gz NJWHZWXYEOGROO-ZLGUVYLKSA-N 2 0 353.510 3.883 20 0 FHADRP Fc1cc(Br)cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423052639 943384333 /nfs/dbraw/zinc/38/43/33/943384333.db2.gz QFSRZIYGNPAZNA-FCLJQHQZSA-N 2 0 353.279 3.912 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423081238 943386749 /nfs/dbraw/zinc/38/67/49/943386749.db2.gz USJSZEJTLLDGLZ-YSIASYRMSA-N 2 0 358.526 3.624 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414716692 943388694 /nfs/dbraw/zinc/38/86/94/943388694.db2.gz SOWDVJIEKAJCNY-SJLPKXTDSA-N 2 0 358.530 3.700 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122571 943397502 /nfs/dbraw/zinc/39/75/02/943397502.db2.gz KAIPUXBCPBOAKT-MBDNFAEBSA-N 2 0 359.558 3.587 20 0 FHADRP CC[C@H](C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420332 943400603 /nfs/dbraw/zinc/40/06/03/943400603.db2.gz CQZFUZVHCSLFEW-UYAOXDASSA-N 2 0 352.526 3.558 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1Cl ZINC000423106253 943401982 /nfs/dbraw/zinc/40/19/82/943401982.db2.gz RFIWZVJOHOLSDY-DTDBQYNISA-N 2 0 355.309 3.596 20 0 FHADRP c1ccc(COc2cnccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423104792 943402161 /nfs/dbraw/zinc/40/21/61/943402161.db2.gz MRNDSXJGGOKJJR-PCCBWWKXSA-N 2 0 351.494 3.671 20 0 FHADRP CCc1nc2cc(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)ccc2n1C1CC1 ZINC000423109495 943403400 /nfs/dbraw/zinc/40/34/00/943403400.db2.gz HHLZKCIFICXSFX-CQSZACIVSA-N 2 0 363.509 3.947 20 0 FHADRP c1ccc2c(c1)SC[C@H]2C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423147622 943407220 /nfs/dbraw/zinc/40/72/20/943407220.db2.gz SJOFUKBCXFHQBF-FQELHTAISA-N 2 0 352.503 3.721 20 0 FHADRP Fc1cccc(CCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000503918013 943408126 /nfs/dbraw/zinc/40/81/26/943408126.db2.gz NZPXXSIDWFOKTM-GOSISDBHSA-N 2 0 359.514 3.859 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139868 943417177 /nfs/dbraw/zinc/41/71/77/943417177.db2.gz WSPRPUNDGJIXMD-KBPBESRZSA-N 2 0 353.445 3.585 20 0 FHADRP CSc1cc(Br)ccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000503947306 943430959 /nfs/dbraw/zinc/43/09/59/943430959.db2.gz SPLSCQRAMAARBG-UHFFFAOYSA-N 2 0 357.361 3.993 20 0 FHADRP Clc1ccccc1C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccs1 ZINC000423191980 943436825 /nfs/dbraw/zinc/43/68/25/943436825.db2.gz UWTDELWSGXYWTA-SFHVURJKSA-N 2 0 363.958 3.570 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000503986614 943442872 /nfs/dbraw/zinc/44/28/72/943442872.db2.gz LWGIGDASHQAIQE-PZJWPPBQSA-N 2 0 374.573 3.582 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(C)C ZINC000503985228 943453392 /nfs/dbraw/zinc/45/33/92/943453392.db2.gz HNVCRMVBKCJNFY-UHFFFAOYSA-N 2 0 374.573 3.543 20 0 FHADRP CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414727424 943457349 /nfs/dbraw/zinc/45/73/49/943457349.db2.gz BCMZHDJBPSMHFG-LSDHHAIUSA-N 2 0 371.447 3.742 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293908 943475319 /nfs/dbraw/zinc/47/53/19/943475319.db2.gz SMCQBKWONVNEKL-RBUKOAKNSA-N 3 0 351.538 3.892 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423303207 943477264 /nfs/dbraw/zinc/47/72/64/943477264.db2.gz LISBFJPYPWTTHZ-MRXNPFEDSA-N 2 0 355.482 3.679 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423323608 943480037 /nfs/dbraw/zinc/48/00/37/943480037.db2.gz IGFOMUILMDWZKT-GGPKGHCWSA-N 2 0 359.558 3.587 20 0 FHADRP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414733822 943481994 /nfs/dbraw/zinc/48/19/94/943481994.db2.gz KGSOCUWSMFLBTP-KBPBESRZSA-N 2 0 362.905 3.589 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1[C@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423332370 943482570 /nfs/dbraw/zinc/48/25/70/943482570.db2.gz VAOGXVZWDILZKH-CQSZACIVSA-N 2 0 363.221 3.728 20 0 FHADRP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414736214 943485650 /nfs/dbraw/zinc/48/56/50/943485650.db2.gz MUHSBEHYAJCHTJ-STQMWFEESA-N 2 0 358.313 3.642 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000423354983 943489221 /nfs/dbraw/zinc/48/92/21/943489221.db2.gz DLVIFAKXBPQIQV-NVXWUHKLSA-N 2 0 357.523 3.928 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000423369485 943493670 /nfs/dbraw/zinc/49/36/70/943493670.db2.gz DWRCYNWEEJCUTM-HNNXBMFYSA-N 2 0 355.507 3.507 20 0 FHADRP CC[NH2+][C@H](C)CN[C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369965 943494507 /nfs/dbraw/zinc/49/45/07/943494507.db2.gz CWWQSZAJUDOTSK-IAGOWNOFSA-N 2 0 352.482 3.562 20 0 FHADRP COCC1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423400520 943503135 /nfs/dbraw/zinc/50/31/35/943503135.db2.gz FOSJGWMFWJRBPW-NRFANRHFSA-N 2 0 372.484 3.530 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423419652 943504032 /nfs/dbraw/zinc/50/40/32/943504032.db2.gz IUCNHTVOZJMKGA-YADARESESA-N 2 0 363.549 3.559 20 0 FHADRP COC[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]1 ZINC000423420454 943505157 /nfs/dbraw/zinc/50/51/57/943505157.db2.gz XEACYTAVPHAHGQ-KBAYOESNSA-N 2 0 356.432 3.700 20 0 FHADRP COCC1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[NH2+]CC1 ZINC000423402301 943507523 /nfs/dbraw/zinc/50/75/23/943507523.db2.gz GZPIRHIOSWXOEA-QGZVFWFLSA-N 2 0 356.432 3.762 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000423402506 943507630 /nfs/dbraw/zinc/50/76/30/943507630.db2.gz XUIUIQHZACXVFS-XKQJLSEDSA-N 2 0 355.320 3.647 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423406461 943508752 /nfs/dbraw/zinc/50/87/52/943508752.db2.gz KXDCJJWKPPTGFU-FQEVSTJZSA-N 2 0 373.928 3.625 20 0 FHADRP COCC1(C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000423408802 943509281 /nfs/dbraw/zinc/50/92/81/943509281.db2.gz PCLVPBYODZKRLK-LJQANCHMSA-N 2 0 352.522 3.813 20 0 FHADRP COC[C@]1(CN[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430017 943516666 /nfs/dbraw/zinc/51/66/66/943516666.db2.gz PGHLNTMTYMNTFS-DYESRHJHSA-N 2 0 371.550 3.854 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423429907 943516773 /nfs/dbraw/zinc/51/67/73/943516773.db2.gz LSYBYFRAKHCPJV-HXUWFJFHSA-N 2 0 359.558 3.587 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423461357 943522888 /nfs/dbraw/zinc/52/28/88/943522888.db2.gz CGKOSMOLWFOHKW-JGGQBBKZSA-N 2 0 353.304 3.770 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423467466 943523881 /nfs/dbraw/zinc/52/38/81/943523881.db2.gz XNIILOTZHPNKTN-DLBZAZTESA-N 2 0 352.482 3.691 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000423506950 943531515 /nfs/dbraw/zinc/53/15/15/943531515.db2.gz JARWSXBGLURBMW-QHGAOEGBSA-N 2 0 353.510 3.814 20 0 FHADRP c1ccc(C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423508568 943532238 /nfs/dbraw/zinc/53/22/38/943532238.db2.gz KUTSCXGRDMSKQD-KXTRFFEISA-N 2 0 363.549 3.776 20 0 FHADRP C[C@H]([NH3+])c1ccc(NC(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000414748482 943532360 /nfs/dbraw/zinc/53/23/60/943532360.db2.gz IQDJHJBFMWAACR-ZDUSSCGKSA-N 2 0 359.499 3.793 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1Cl ZINC000423509655 943533018 /nfs/dbraw/zinc/53/30/18/943533018.db2.gz LSEFYYKRRUZYNG-JEYLPNPQSA-N 2 0 356.341 3.860 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423495563 943536926 /nfs/dbraw/zinc/53/69/26/943536926.db2.gz UTYJPEMWVIIDJK-GARJFASQSA-N 2 0 350.356 3.667 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535835 943538535 /nfs/dbraw/zinc/53/85/35/943538535.db2.gz FOCPEMLXENIPFG-INIZCTEOSA-N 2 0 351.288 3.562 20 0 FHADRP C[C@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1Cc1ccccc1 ZINC000423530968 943538629 /nfs/dbraw/zinc/53/86/29/943538629.db2.gz RYPFMRCCFTVPFI-ISPRVBGISA-N 2 0 367.581 3.783 20 0 FHADRP CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515882 943542810 /nfs/dbraw/zinc/54/28/10/943542810.db2.gz XNVUTKYUQYPPOI-HTAPYJJXSA-N 2 0 355.526 3.540 20 0 FHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423516060 943543339 /nfs/dbraw/zinc/54/33/39/943543339.db2.gz ANPPKSMFXWTTJK-JPZIPOIESA-N 2 0 372.553 3.939 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000423520639 943544650 /nfs/dbraw/zinc/54/46/50/943544650.db2.gz RSLXLGJVSYCWRY-NNGSBXSVSA-N 2 0 355.448 3.572 20 0 FHADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423521748 943544934 /nfs/dbraw/zinc/54/49/34/943544934.db2.gz SWJZKRSCOOUVKQ-AOMIVXANSA-N 2 0 371.569 3.830 20 0 FHADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423524000 943545601 /nfs/dbraw/zinc/54/56/01/943545601.db2.gz WRJJCXDABXCDHI-WTNGLUPJSA-N 2 0 368.352 3.787 20 0 FHADRP COc1cccc(CCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435686678 943546882 /nfs/dbraw/zinc/54/68/82/943546882.db2.gz AJLDOFMSGYGUDV-IBGZPJMESA-N 2 0 371.550 3.729 20 0 FHADRP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccccc2o1 ZINC000423525232 943547408 /nfs/dbraw/zinc/54/74/08/943547408.db2.gz XYZNPRDQWGGMRY-AJTFCVKESA-N 2 0 355.526 3.936 20 0 FHADRP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000417368856 943550821 /nfs/dbraw/zinc/55/08/21/943550821.db2.gz OWSYZSDDZZTVJI-SFTDATJTSA-N 2 0 371.569 3.688 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@@H]3C2)cc1 ZINC000423540991 943551757 /nfs/dbraw/zinc/55/17/57/943551757.db2.gz KIPNJGPAXQTHOE-DLFLOYDBSA-N 3 0 367.581 3.655 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@H]3C2)cc1 ZINC000423540993 943551904 /nfs/dbraw/zinc/55/19/04/943551904.db2.gz KIPNJGPAXQTHOE-ISGSKPSGSA-N 3 0 367.581 3.655 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540132 943552091 /nfs/dbraw/zinc/55/20/91/943552091.db2.gz PYLFQINBLZHWLW-MRXNPFEDSA-N 2 0 351.288 3.562 20 0 FHADRP CCC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423579735 943563077 /nfs/dbraw/zinc/56/30/77/943563077.db2.gz WSEBESWHWCILHN-FQEVSTJZSA-N 2 0 352.526 3.506 20 0 FHADRP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423580691 943563576 /nfs/dbraw/zinc/56/35/76/943563576.db2.gz YDCDANJNUITVJX-MRXNPFEDSA-N 2 0 359.464 3.609 20 0 FHADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000435749605 943583854 /nfs/dbraw/zinc/58/38/54/943583854.db2.gz VBWAFULOKNLWAJ-HXUWFJFHSA-N 2 0 363.590 3.800 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423729285 943605934 /nfs/dbraw/zinc/60/59/34/943605934.db2.gz NSCNCAVKCFMEFL-PIKOESSRSA-N 2 0 357.542 3.576 20 0 FHADRP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000423775559 943614445 /nfs/dbraw/zinc/61/44/45/943614445.db2.gz PEKMDHVDMUGZAU-DYESRHJHSA-N 2 0 351.494 3.600 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773977 943729714 /nfs/dbraw/zinc/72/97/14/943729714.db2.gz FAOCPYWZMOYLMY-JKSUJKDBSA-N 2 0 352.906 3.569 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nccc2ccccc21 ZINC000289774882 943803126 /nfs/dbraw/zinc/80/31/26/943803126.db2.gz NQPZEFAKBIJHMC-IBGZPJMESA-N 2 0 374.532 3.833 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414904692 943806251 /nfs/dbraw/zinc/80/62/51/943806251.db2.gz KKWDLBRPKBSEJS-RBEAKBERSA-N 2 0 354.538 3.816 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OCc3ccccn3)cc1)CC[NH2+]CC2 ZINC000424288604 943820345 /nfs/dbraw/zinc/82/03/45/943820345.db2.gz KTVTXTHGQGCSOG-SFHVURJKSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417687881 943823837 /nfs/dbraw/zinc/82/38/37/943823837.db2.gz IHFKIXZCKRTASP-GOSISDBHSA-N 2 0 372.557 3.563 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC([C@H](C)[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417700327 943837593 /nfs/dbraw/zinc/83/75/93/943837593.db2.gz IKIFEQLJLDPQKG-ZWKOTPCHSA-N 2 0 374.573 3.665 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478071 943847021 /nfs/dbraw/zinc/84/70/21/943847021.db2.gz OUKXTYJRDRTHPS-YYWHXJBOSA-N 2 0 365.512 3.953 20 0 FHADRP COc1cccc(-c2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424301922 943851312 /nfs/dbraw/zinc/85/13/12/943851312.db2.gz YIBPAYSPRIJIKQ-OAHLLOKOSA-N 2 0 357.523 3.783 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784206 943867084 /nfs/dbraw/zinc/86/70/84/943867084.db2.gz QWWMIIQAICVBMO-SJORKVTESA-N 2 0 358.917 3.656 20 0 FHADRP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785242 943876384 /nfs/dbraw/zinc/87/63/84/943876384.db2.gz SFBLQKDDQWATTI-SJORKVTESA-N 2 0 357.523 3.544 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779305 943876739 /nfs/dbraw/zinc/87/67/39/943876739.db2.gz GSHJYMXMBSNOQP-LJQANCHMSA-N 2 0 371.569 3.865 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368894 943881437 /nfs/dbraw/zinc/88/14/37/943881437.db2.gz AQKOZCKXSQFQHN-GOSISDBHSA-N 2 0 352.526 3.960 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000424426627 943922447 /nfs/dbraw/zinc/92/24/47/943922447.db2.gz ARBLAOKMZJOOIY-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790527 943939239 /nfs/dbraw/zinc/93/92/39/943939239.db2.gz ZZIOKPACNPQNKW-GJZGRUSLSA-N 2 0 360.395 3.588 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CC12CCOCC2 ZINC000414791804 943944574 /nfs/dbraw/zinc/94/45/74/943944574.db2.gz RCQORAPUWORSQD-OAHLLOKOSA-N 2 0 360.498 3.742 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515521821 943975121 /nfs/dbraw/zinc/97/51/21/943975121.db2.gz XOAWWBXUKOZDQE-OTWHNJEPSA-N 2 0 373.585 3.947 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)c1 ZINC000515523974 943977015 /nfs/dbraw/zinc/97/70/15/943977015.db2.gz WEHFBWAWXYRXJF-WBTXTPOCSA-N 2 0 359.558 3.701 20 0 FHADRP CCCCc1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414799004 943980830 /nfs/dbraw/zinc/98/08/30/943980830.db2.gz ZWAPEWKTMSEBRW-QGZVFWFLSA-N 2 0 356.510 3.963 20 0 FHADRP C[C@H]([NH3+])c1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414797076 943982461 /nfs/dbraw/zinc/98/24/61/943982461.db2.gz AQRUOHFJYGTBOU-KRWDZBQOSA-N 2 0 352.526 3.849 20 0 FHADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000517162216 944052863 /nfs/dbraw/zinc/05/28/63/944052863.db2.gz ZNARHWUTYHKWJP-LEOXJPRUSA-N 2 0 373.585 3.931 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC000709308351 944067599 /nfs/dbraw/zinc/06/75/99/944067599.db2.gz PQRRTVDAVNCZBI-KRWDZBQOSA-N 2 0 353.551 3.627 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000500104529 944105166 /nfs/dbraw/zinc/10/51/66/944105166.db2.gz OUYNQVPXQVHLIV-UHFFFAOYSA-N 2 0 374.573 3.592 20 0 FHADRP Fc1cccc(F)c1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000613262550 944113359 /nfs/dbraw/zinc/11/33/59/944113359.db2.gz VMHGFSIGSHCCEC-UHFFFAOYSA-N 2 0 360.448 3.772 20 0 FHADRP CN(C)[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)c1ccccc1 ZINC000517261118 944140411 /nfs/dbraw/zinc/14/04/11/944140411.db2.gz YAHHLQDLNVEXID-FQEVSTJZSA-N 2 0 362.477 3.983 20 0 FHADRP CN(C)[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)c1ccccc1 ZINC000517261119 944140722 /nfs/dbraw/zinc/14/07/22/944140722.db2.gz YAHHLQDLNVEXID-HXUWFJFHSA-N 2 0 362.477 3.983 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000500140610 944162056 /nfs/dbraw/zinc/16/20/56/944162056.db2.gz QYIFAEJACVHAFC-HSZRJFAPSA-N 2 0 355.570 3.945 20 0 FHADRP CSc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000436312973 944192026 /nfs/dbraw/zinc/19/20/26/944192026.db2.gz KYPKJOJPKBIYHC-UWJYYQICSA-N 2 0 355.551 3.846 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000517330445 944225195 /nfs/dbraw/zinc/22/51/95/944225195.db2.gz AKJXEHURMHNOLX-VNHYZAJKSA-N 2 0 357.420 3.530 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000414975141 944245248 /nfs/dbraw/zinc/24/52/48/944245248.db2.gz OLOWOHMDCLXOLA-LJQANCHMSA-N 2 0 367.493 3.569 20 0 FHADRP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414919176 944266840 /nfs/dbraw/zinc/26/68/40/944266840.db2.gz WJGAXBZXQOTSNC-JOCHJYFZSA-N 2 0 354.494 3.754 20 0 FHADRP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414919177 944267261 /nfs/dbraw/zinc/26/72/61/944267261.db2.gz WJGAXBZXQOTSNC-QFIPXVFZSA-N 2 0 354.494 3.754 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C)CC[C@@H]2C)c1 ZINC000473731183 944317570 /nfs/dbraw/zinc/31/75/70/944317570.db2.gz DRUZWDCYZCKYMZ-IBGZPJMESA-N 2 0 374.573 3.544 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921405 944324594 /nfs/dbraw/zinc/32/45/94/944324594.db2.gz FOANVRZBWJANDK-VXGBXAGGSA-N 2 0 351.210 3.827 20 0 FHADRP Cc1nccn1CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835687 944333710 /nfs/dbraw/zinc/33/37/10/944333710.db2.gz GCUVJKMEOOODET-QFIPXVFZSA-N 2 0 366.553 3.814 20 0 FHADRP CCOC(=O)CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167975552 944333782 /nfs/dbraw/zinc/33/37/82/944333782.db2.gz RZURYHHAWBKKMB-FRIKZZABSA-N 2 0 370.537 3.677 20 0 FHADRP CC1(C)C[N@H+](Cc2cccnc2N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834970 944339480 /nfs/dbraw/zinc/33/94/80/944339480.db2.gz APFYEWQAAQMOFA-OAQYLSRUSA-N 2 0 364.537 3.786 20 0 FHADRP Cc1nnsc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835796 944345009 /nfs/dbraw/zinc/34/50/09/944345009.db2.gz HNETZYOVYMBEFE-FQEVSTJZSA-N 2 0 370.566 3.969 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108192 944346382 /nfs/dbraw/zinc/34/63/82/944346382.db2.gz XZRWKZXGROVBGO-BJKOFHAPSA-N 2 0 369.597 3.987 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)s1 ZINC000426295078 944398826 /nfs/dbraw/zinc/39/88/26/944398826.db2.gz MCLBSUWAOFWONL-DOTOQJQBSA-N 2 0 350.576 3.837 20 0 FHADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCC2 ZINC001167978133 944427924 /nfs/dbraw/zinc/42/79/24/944427924.db2.gz KJWRZKPVGHITMY-RKKYOWQMSA-N 2 0 368.521 3.846 20 0 FHADRP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)cc1 ZINC001167977899 944433389 /nfs/dbraw/zinc/43/33/89/944433389.db2.gz IOJYQMGATAQJIZ-FRIKZZABSA-N 2 0 354.538 3.730 20 0 FHADRP Cn1cncc1CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838937 944445865 /nfs/dbraw/zinc/44/58/65/944445865.db2.gz VTULVWJNMUXQOV-QFIPXVFZSA-N 2 0 366.553 3.585 20 0 FHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323832 944459233 /nfs/dbraw/zinc/45/92/33/944459233.db2.gz DGVONTGFGQKCKM-PBHICJAKSA-N 2 0 351.332 3.801 20 0 FHADRP CC[C@H]([NH3+])CN[C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994238 944521837 /nfs/dbraw/zinc/52/18/37/944521837.db2.gz UPAHVLWLGQELQC-LRDDRELGSA-N 2 0 351.288 3.697 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000518595397 944523459 /nfs/dbraw/zinc/52/34/59/944523459.db2.gz WOQQITDPHCCYNI-RTBURBONSA-N 2 0 374.573 3.589 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350342 944528697 /nfs/dbraw/zinc/52/86/97/944528697.db2.gz HMBKTVNYMBGUQD-FUHWJXTLSA-N 2 0 358.555 3.704 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846405 944537055 /nfs/dbraw/zinc/53/70/55/944537055.db2.gz XKNXLJIROCQEAB-IBGZPJMESA-N 2 0 356.913 3.956 20 0 FHADRP Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175892 944559811 /nfs/dbraw/zinc/55/98/11/944559811.db2.gz XDJDTFUZXQKYMN-GVDBMIGSSA-N 2 0 368.949 3.584 20 0 FHADRP OC1CC[NH+](CCC[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000518629675 944561910 /nfs/dbraw/zinc/56/19/10/944561910.db2.gz QYYIJEQKGWSLMM-UHFFFAOYSA-N 2 0 366.549 3.524 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CCCOC(F)F)cc1C[NH+]1CCCCC1 ZINC000194030605 944595640 /nfs/dbraw/zinc/59/56/40/944595640.db2.gz ZMIVTAMSXYJZNS-HNNXBMFYSA-N 2 0 356.457 3.961 20 0 FHADRP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OCC(F)(F)F ZINC000608065538 944597703 /nfs/dbraw/zinc/59/77/03/944597703.db2.gz DFTMSHCJMUHFGS-MQVJKMGUSA-N 2 0 372.431 3.741 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000426382151 944620719 /nfs/dbraw/zinc/62/07/19/944620719.db2.gz YNYONAQIERGFMJ-UHFFFAOYSA-N 2 0 362.521 3.942 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414999060 944623123 /nfs/dbraw/zinc/62/31/23/944623123.db2.gz IOVVTEXMFIZNFB-RDBSUJKOSA-N 2 0 357.420 3.530 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C3(C)CC[NH2+]CC3)cc2)c1 ZINC000414930857 944625035 /nfs/dbraw/zinc/62/50/35/944625035.db2.gz BECHPNJTQIHBOF-UHFFFAOYSA-N 2 0 356.466 3.728 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000418459500 944642507 /nfs/dbraw/zinc/64/25/07/944642507.db2.gz IXTPBDXFXAORIK-SFHVURJKSA-N 2 0 372.557 3.504 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000506861259 944691145 /nfs/dbraw/zinc/69/11/45/944691145.db2.gz KVMDZIJCHBJMHN-UHFFFAOYSA-N 2 0 354.922 3.911 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000418488460 944694638 /nfs/dbraw/zinc/69/46/38/944694638.db2.gz KPSLWOXWFIPPKL-SFHVURJKSA-N 2 0 372.557 3.504 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000500383551 944698135 /nfs/dbraw/zinc/69/81/35/944698135.db2.gz KGBDEHIKAZCGDB-FYWRMAATSA-N 2 0 356.432 3.545 20 0 FHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414933308 944722796 /nfs/dbraw/zinc/72/27/96/944722796.db2.gz DPOKILMKVGZBIS-YJBOKZPZSA-N 2 0 352.507 3.688 20 0 FHADRP CC1CC[NH+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000517883134 944767553 /nfs/dbraw/zinc/76/75/53/944767553.db2.gz GARJDSVJJCRJSE-UHFFFAOYSA-N 2 0 357.542 3.524 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000415002274 944779516 /nfs/dbraw/zinc/77/95/16/944779516.db2.gz LVCCUJGLBCREET-QFBILLFUSA-N 2 0 367.493 3.555 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003265 944822824 /nfs/dbraw/zinc/82/28/24/944822824.db2.gz FQBMYWILRYJEHK-AZUAARDMSA-N 2 0 358.917 3.620 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836219 944855130 /nfs/dbraw/zinc/85/51/30/944855130.db2.gz UTUYVLSCCGYBJQ-CTNGQTDRSA-N 2 0 371.569 3.525 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cs1)c1ccc(C)cc1 ZINC000415004083 944883244 /nfs/dbraw/zinc/88/32/44/944883244.db2.gz NRRVNPKZZLKEKX-IRXDYDNUSA-N 2 0 372.538 3.743 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414939804 944888086 /nfs/dbraw/zinc/88/80/86/944888086.db2.gz JTOLIOKKUWZQTN-VQIMIIECSA-N 2 0 366.534 3.748 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698208 944912795 /nfs/dbraw/zinc/91/27/95/944912795.db2.gz YDMKWDPKSKAZFQ-ZWKOTPCHSA-N 2 0 357.542 3.521 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414941716 944920682 /nfs/dbraw/zinc/92/06/82/944920682.db2.gz LWYIPJHQWZUKIE-FXAWDEMLSA-N 2 0 354.494 3.752 20 0 FHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414943228 944942544 /nfs/dbraw/zinc/94/25/44/944942544.db2.gz NOLACGWSXVNUAW-AVRDEDQJSA-N 2 0 360.505 3.686 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000437075615 944993228 /nfs/dbraw/zinc/99/32/28/944993228.db2.gz HDDGQGDCXVMNDW-DENIHFKCSA-N 2 0 371.569 3.756 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414947183 945004841 /nfs/dbraw/zinc/00/48/41/945004841.db2.gz VLJFEMYWSNRTGW-PGRDOPGGSA-N 2 0 360.505 3.935 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000437085006 945021344 /nfs/dbraw/zinc/02/13/44/945021344.db2.gz YVZOACTUZCBABY-MGPUTAFESA-N 2 0 358.457 3.941 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437106119 945027503 /nfs/dbraw/zinc/02/75/03/945027503.db2.gz UUEOXFRAACTGTN-UNWVZKJWSA-N 2 0 363.549 3.795 20 0 FHADRP COc1ccc2oc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2c1 ZINC000507695903 945460320 /nfs/dbraw/zinc/46/03/20/945460320.db2.gz XWPYEADDZKNZCG-UHFFFAOYSA-N 2 0 372.509 3.766 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415011588 945474376 /nfs/dbraw/zinc/47/43/76/945474376.db2.gz WGXHSYQMKQPGSA-LRDDRELGSA-N 2 0 352.404 3.703 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415051690 945502553 /nfs/dbraw/zinc/50/25/53/945502553.db2.gz MKWRDYLPCDGLGT-FPOVZHCZSA-N 2 0 351.494 3.721 20 0 FHADRP CCOc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Br ZINC001204742404 945558117 /nfs/dbraw/zinc/55/81/17/945558117.db2.gz NANNSVIGZWEMSQ-UHFFFAOYSA-N 2 0 367.331 3.813 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281307336 945585461 /nfs/dbraw/zinc/58/54/61/945585461.db2.gz RQDVAOUNXBTHRT-NRFANRHFSA-N 2 0 357.473 3.792 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000044291971 945585997 /nfs/dbraw/zinc/58/59/97/945585997.db2.gz GECUPVRPUSSXHC-NRFANRHFSA-N 2 0 366.509 3.707 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000044292345 945586150 /nfs/dbraw/zinc/58/61/50/945586150.db2.gz YOLGCFAWGLENNG-IBGZPJMESA-N 2 0 370.497 3.690 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)C[C@H](C)O1 ZINC000651672918 945597495 /nfs/dbraw/zinc/59/74/95/945597495.db2.gz PKRASURDSYJCJC-CALCHBBNSA-N 2 0 365.477 3.727 20 0 FHADRP CCSc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000187796922 945598241 /nfs/dbraw/zinc/59/82/41/945598241.db2.gz MVWIIGWNSBWZSR-INIZCTEOSA-N 2 0 359.539 3.985 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654529 945622326 /nfs/dbraw/zinc/62/23/26/945622326.db2.gz SRACPBTWHCIMTB-ROUUACIJSA-N 2 0 370.928 3.927 20 0 FHADRP CSC1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[NH+](C)CC1 ZINC000519674332 945624759 /nfs/dbraw/zinc/62/47/59/945624759.db2.gz TUZNZMHWOLBUOT-UHFFFAOYSA-N 2 0 364.889 3.858 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(-c2ccccc2)cn1 ZINC000651709239 945736189 /nfs/dbraw/zinc/73/61/89/945736189.db2.gz PNGFTZMHAHVICD-GHTZIAJQSA-N 2 0 364.537 3.568 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415926473 945922043 /nfs/dbraw/zinc/92/20/43/945922043.db2.gz ZKGIZJQNLGJWIL-AEFFLSMTSA-N 2 0 358.530 3.571 20 0 FHADRP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000550121948 945961468 /nfs/dbraw/zinc/96/14/68/945961468.db2.gz CQRLYKVVYDSWLK-CYBMUJFWSA-N 2 0 351.947 3.589 20 0 FHADRP CC[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[NH+](CC)CC ZINC000522853081 945999719 /nfs/dbraw/zinc/99/97/19/945999719.db2.gz NSFDEYKRVDKMMV-OAQYLSRUSA-N 2 0 359.558 3.655 20 0 FHADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000522891768 946064508 /nfs/dbraw/zinc/06/45/08/946064508.db2.gz HWLOVPKQKVEFIS-WOIUINJBSA-N 2 0 371.569 3.655 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000662824856 946075206 /nfs/dbraw/zinc/07/52/06/946075206.db2.gz DLSJMOWYPKACCB-ICSRJNTNSA-N 2 0 351.579 3.501 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccc(Cl)cc1 ZINC000441206537 946315625 /nfs/dbraw/zinc/31/56/25/946315625.db2.gz WWRIMLOMKDMIOO-NJAFHUGGSA-N 2 0 354.947 3.616 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000154440968 946349024 /nfs/dbraw/zinc/34/90/24/946349024.db2.gz ITUZOLVAHAJZHX-KRWDZBQOSA-N 2 0 356.341 3.598 20 0 FHADRP C[C@@H]1CC(N2CCC([N@H+](C)C3CC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056201 946351839 /nfs/dbraw/zinc/35/18/39/946351839.db2.gz DAQOYHMBUHDLKH-RTBURBONSA-N 2 0 355.570 3.987 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652149125 946386153 /nfs/dbraw/zinc/38/61/53/946386153.db2.gz SMHZMVVNQFSJOJ-QFIPXVFZSA-N 2 0 353.510 3.891 20 0 FHADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000475130230 946436856 /nfs/dbraw/zinc/43/68/56/946436856.db2.gz MXVVKPFEBNPRFC-PMACEKPBSA-N 2 0 373.928 3.800 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1(C)C ZINC000441355440 946472245 /nfs/dbraw/zinc/47/22/45/946472245.db2.gz JRGWPQRBEQVTTA-UHFFFAOYSA-N 2 0 361.530 3.670 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000441361618 946487964 /nfs/dbraw/zinc/48/79/64/946487964.db2.gz VEEJGUNPWHXJAR-UHFFFAOYSA-N 2 0 367.541 3.712 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417223550 946517102 /nfs/dbraw/zinc/51/71/02/946517102.db2.gz SKORZMCRTHLDDW-NSHGMRRFSA-N 2 0 374.573 3.522 20 0 FHADRP C[C@H]1CC(n2cncc2C2CC[NH2+]CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058078 946595746 /nfs/dbraw/zinc/59/57/46/946595746.db2.gz AVBDVVYCJPAPCI-ROUUACIJSA-N 2 0 352.526 3.964 20 0 FHADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000536266573 946663325 /nfs/dbraw/zinc/66/33/25/946663325.db2.gz HVYXXVYLSXIDFU-KRWDZBQOSA-N 2 0 367.331 3.529 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)cn2)CC1 ZINC000112529238 946670119 /nfs/dbraw/zinc/67/01/19/946670119.db2.gz QCPUCAGDVYDGBF-INIZCTEOSA-N 2 0 358.917 3.728 20 0 FHADRP C[NH2+]CCc1c(C)nn(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1C ZINC001168059467 946698296 /nfs/dbraw/zinc/69/82/96/946698296.db2.gz FRTHKDRCPQFHHY-IAGOWNOFSA-N 2 0 354.542 3.876 20 0 FHADRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000164525954 946699930 /nfs/dbraw/zinc/69/99/30/946699930.db2.gz UQIIWTHWSPNSIT-NRFANRHFSA-N 2 0 364.493 3.812 20 0 FHADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663019385 946715354 /nfs/dbraw/zinc/71/53/54/946715354.db2.gz JVXJNXIFSZLAKH-JRGCBEDISA-N 2 0 371.569 3.509 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C)CCC(OC)CC2)CC1 ZINC000475209847 946726497 /nfs/dbraw/zinc/72/64/97/946726497.db2.gz NHFKOFCQVXHOGJ-UHFFFAOYSA-N 2 0 373.585 3.904 20 0 FHADRP C[NH+](C)CCOc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000473929067 946753366 /nfs/dbraw/zinc/75/33/66/946753366.db2.gz TXOVNZKBBONZDD-UHFFFAOYSA-N 2 0 359.558 3.514 20 0 FHADRP C[C@@H]1CN(c2ccccc2C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000550358144 946775304 /nfs/dbraw/zinc/77/53/04/946775304.db2.gz ZIMSAULFOOLRLH-WOJBJXKFSA-N 2 0 359.558 3.656 20 0 FHADRP Cc1nnc(C2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)o1 ZINC001168060344 946784008 /nfs/dbraw/zinc/78/40/08/946784008.db2.gz WSUJTTLRLZTMCA-IRXDYDNUSA-N 2 0 368.525 3.999 20 0 FHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475279021 946800288 /nfs/dbraw/zinc/80/02/88/946800288.db2.gz IXKMPZFKPRCEQF-HXUWFJFHSA-N 2 0 354.542 3.867 20 0 FHADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475287419 946825198 /nfs/dbraw/zinc/82/51/98/946825198.db2.gz OJADNISDQUYALF-UYAOXDASSA-N 2 0 362.521 3.996 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347999 946879001 /nfs/dbraw/zinc/87/90/01/946879001.db2.gz RHSXPCRUXWNICY-NOVWEMISSA-N 2 0 354.441 3.567 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348050 946879359 /nfs/dbraw/zinc/87/93/59/946879359.db2.gz SMWRPLQQEFJGNI-VUNQQRPYSA-N 2 0 372.431 3.865 20 0 FHADRP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000550380487 946883994 /nfs/dbraw/zinc/88/39/94/946883994.db2.gz YVQHPXJAFDENIN-AZUAARDMSA-N 2 0 351.579 3.656 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348725 946887629 /nfs/dbraw/zinc/88/76/29/946887629.db2.gz OURZYOLRTFVGCG-ZHALLVOQSA-N 2 0 363.571 3.909 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349623 946890302 /nfs/dbraw/zinc/89/03/02/946890302.db2.gz VWEGSEIOUWECAQ-XGXHKWSGSA-N 2 0 355.482 3.621 20 0 FHADRP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994968 946892098 /nfs/dbraw/zinc/89/20/98/946892098.db2.gz RTVJELSINYPSHB-DFNIBXOVSA-N 2 0 365.562 3.627 20 0 FHADRP COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995090 946892905 /nfs/dbraw/zinc/89/29/05/946892905.db2.gz VQLMGYDMJMYHII-JIMIUWDKSA-N 2 0 372.553 3.938 20 0 FHADRP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000237161051 946925183 /nfs/dbraw/zinc/92/51/83/946925183.db2.gz ZJMBKRPJCKSLRN-UHFFFAOYSA-N 2 0 360.933 3.882 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000652364476 946933490 /nfs/dbraw/zinc/93/34/90/946933490.db2.gz SKORLPCCFCBVAH-UDIDDNNKSA-N 2 0 366.505 3.732 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824956571 947005782 /nfs/dbraw/zinc/00/57/82/947005782.db2.gz STCLOAVQXVGJFV-PBPGXSGUSA-N 2 0 368.529 3.560 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511921972 947006868 /nfs/dbraw/zinc/00/68/68/947006868.db2.gz JDJQBBFLGWAACR-GECPCNCSSA-N 2 0 372.459 3.725 20 0 FHADRP O=C(C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1)N1CCCCCC1 ZINC001167995839 947047151 /nfs/dbraw/zinc/04/71/51/947047151.db2.gz RSOZAWHCTYHKLM-CBQGHPETSA-N 2 0 373.585 3.506 20 0 FHADRP c1ccc(OCCC[N@H+](CCC[NH+]2CCCCC2)C2CCOCC2)cc1 ZINC000444631965 947061079 /nfs/dbraw/zinc/06/10/79/947061079.db2.gz NBCAZIIDXKQUGU-UHFFFAOYSA-N 2 0 360.542 3.813 20 0 FHADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCO[C@H]2CCCCO2)CC3)cc1 ZINC000444656986 947075923 /nfs/dbraw/zinc/07/59/23/947075923.db2.gz AWMCFDRZIYHTOL-NRFANRHFSA-N 2 0 358.526 3.518 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000192924191 947105072 /nfs/dbraw/zinc/10/50/72/947105072.db2.gz IRYZBBYKLPKZOI-QGZVFWFLSA-N 2 0 374.912 3.969 20 0 FHADRP COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065469 947113631 /nfs/dbraw/zinc/11/36/31/947113631.db2.gz WOXWWGIFOVNMRP-TWWGPRNNSA-N 2 0 358.526 3.703 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000536301680 947196648 /nfs/dbraw/zinc/19/66/48/947196648.db2.gz FWFADDCWKDTIER-KBXCAEBGSA-N 2 0 357.325 3.807 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458056 947288879 /nfs/dbraw/zinc/28/88/79/947288879.db2.gz UIWYNXUTNIOEGN-NQIIRXRSSA-N 2 0 367.537 3.560 20 0 FHADRP CC1CC[NH+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189045110 947611579 /nfs/dbraw/zinc/61/15/79/947611579.db2.gz OTNACOBMMYGTLL-UHFFFAOYSA-N 2 0 358.505 3.672 20 0 FHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000523829244 947646665 /nfs/dbraw/zinc/64/66/65/947646665.db2.gz WPTTXKHNVCHSSZ-OAQYLSRUSA-N 2 0 357.542 3.667 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000662280929 947701176 /nfs/dbraw/zinc/70/11/76/947701176.db2.gz IEOSVKIUZCPYJN-SJLPKXTDSA-N 2 0 354.947 3.650 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662279585 947701184 /nfs/dbraw/zinc/70/11/84/947701184.db2.gz AFVMKLASGOISRF-ZWKOTPCHSA-N 2 0 354.947 3.650 20 0 FHADRP OCC1([NH2+]CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000662286067 947708848 /nfs/dbraw/zinc/70/88/48/947708848.db2.gz SRSKIXPKBYLBOF-UHFFFAOYSA-N 2 0 374.475 3.581 20 0 FHADRP Clc1cccc(-c2noc(CC[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662293845 947716311 /nfs/dbraw/zinc/71/63/11/947716311.db2.gz TZYDTOJFRALLOH-KRWDZBQOSA-N 2 0 374.916 3.644 20 0 FHADRP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313686 947748061 /nfs/dbraw/zinc/74/80/61/947748061.db2.gz KRMGTTDKLFDHOV-ZIFCJYIRSA-N 2 0 371.525 3.792 20 0 FHADRP C[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324340 947751186 /nfs/dbraw/zinc/75/11/86/947751186.db2.gz VLTGHVDQDDGPCR-MAUKXSAKSA-N 2 0 358.448 3.852 20 0 FHADRP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663343801 947807897 /nfs/dbraw/zinc/80/78/97/947807897.db2.gz FMBQFFMRZDJUNS-OAQYLSRUSA-N 2 0 373.560 3.544 20 0 FHADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC(F)F ZINC000663347651 947820320 /nfs/dbraw/zinc/82/03/20/947820320.db2.gz RIQCXGCDPQWEBL-MRXNPFEDSA-N 2 0 354.441 3.508 20 0 FHADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc21 ZINC000662525797 947888073 /nfs/dbraw/zinc/88/80/73/947888073.db2.gz XIHXAXPGVNAPPC-HXUWFJFHSA-N 2 0 363.505 3.913 20 0 FHADRP CCCNC(=O)C1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCCCC1 ZINC001167803648 947914505 /nfs/dbraw/zinc/91/45/05/947914505.db2.gz BTDBLZDFUSNYSO-UHFFFAOYSA-N 2 0 371.569 3.991 20 0 FHADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662699286 947989438 /nfs/dbraw/zinc/98/94/38/947989438.db2.gz ZMDCUVHRTBSLMG-SFHVURJKSA-N 2 0 369.431 3.543 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1)C1CC1 ZINC000511997740 948140474 /nfs/dbraw/zinc/14/04/74/948140474.db2.gz BYYGBATUIGTLLA-UHFFFAOYSA-N 2 0 357.542 3.521 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624381 948255920 /nfs/dbraw/zinc/25/59/20/948255920.db2.gz JGATYKZOBMKTBM-DZWOVHDNSA-N 2 0 350.506 3.535 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624383 948256458 /nfs/dbraw/zinc/25/64/58/948256458.db2.gz JGATYKZOBMKTBM-ZMVGRULKSA-N 2 0 350.506 3.535 20 0 FHADRP Fc1ccc(N2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC2)cc1 ZINC001168002857 948266164 /nfs/dbraw/zinc/26/61/64/948266164.db2.gz ZVTVJYOURHBJJK-CBQGHPETSA-N 2 0 357.517 3.743 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000473210496 948285626 /nfs/dbraw/zinc/28/56/26/948285626.db2.gz VACTWXZPDUVELO-NRSPTQNISA-N 2 0 359.558 3.665 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000473210494 948286047 /nfs/dbraw/zinc/28/60/47/948286047.db2.gz VACTWXZPDUVELO-GIVPXCGWSA-N 2 0 359.558 3.665 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001167835724 948298696 /nfs/dbraw/zinc/29/86/96/948298696.db2.gz UGTUILAJXCCHQU-GOSISDBHSA-N 2 0 357.542 3.617 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001167835881 948299890 /nfs/dbraw/zinc/29/98/90/948299890.db2.gz VIHBZAQNSWQVOE-QGZVFWFLSA-N 2 0 363.521 3.530 20 0 FHADRP CCOC(=O)C1(C(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168003514 948300274 /nfs/dbraw/zinc/30/02/74/948300274.db2.gz OFMVJSSQRKRYTC-YOFSQIOKSA-N 2 0 362.558 3.693 20 0 FHADRP CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@H](C)CCC[NH+](CC)CC ZINC001167839838 948323409 /nfs/dbraw/zinc/32/34/09/948323409.db2.gz CDLFKNCJAOBKGU-MOPGFXCFSA-N 2 0 358.567 3.567 20 0 FHADRP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624936 948324885 /nfs/dbraw/zinc/32/48/85/948324885.db2.gz LFVHMBCPHVEZSX-QLBRKBSLSA-N 2 0 363.549 3.757 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422498 948383316 /nfs/dbraw/zinc/38/33/16/948383316.db2.gz FLMBBENYGSEZRO-ZIAGYGMSSA-N 2 0 373.310 3.740 20 0 FHADRP C[C@H]1C[N@H+](CCCN[C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422264 948384657 /nfs/dbraw/zinc/38/46/57/948384657.db2.gz DDNOELNRJKVQSH-MAUKXSAKSA-N 2 0 352.906 3.644 20 0 FHADRP CC[NH+]1CCC(CCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000074027688 948469976 /nfs/dbraw/zinc/46/99/76/948469976.db2.gz NBFFPTJXUQICLL-UHFFFAOYSA-N 2 0 352.482 3.677 20 0 FHADRP CN(C)Cc1cnc(CNCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000512127631 948498011 /nfs/dbraw/zinc/49/80/11/948498011.db2.gz BHAARVUNHWPLRQ-UHFFFAOYSA-N 2 0 372.582 3.871 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000512182839 948710569 /nfs/dbraw/zinc/71/05/69/948710569.db2.gz SYNAHFROFROEBM-IYBDPMFKSA-N 2 0 360.473 3.893 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(CSC(F)F)o2)C[C@@H](C)O1 ZINC000067452818 948786617 /nfs/dbraw/zinc/78/66/17/948786617.db2.gz LPYINDOJHOPJQD-ZIAGYGMSSA-N 2 0 362.486 3.714 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000521428148 568025036 /nfs/dbraw/zinc/02/50/36/568025036.db2.gz XPJHPONOHBLOPP-KRWDZBQOSA-N 2 0 363.521 3.905 20 0 FHADRP CCCOc1c(Cl)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000563135508 568267861 /nfs/dbraw/zinc/26/78/61/568267861.db2.gz LVVVSNBINSANDF-HZPDHXFCSA-N 2 0 352.906 3.569 20 0 FHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000604416595 568274781 /nfs/dbraw/zinc/27/47/81/568274781.db2.gz MUHQXZHWGMWGHI-GOSISDBHSA-N 2 0 371.500 3.652 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000604412793 568277548 /nfs/dbraw/zinc/27/75/48/568277548.db2.gz JELOFTIRXMREKH-QFIPXVFZSA-N 2 0 365.521 3.814 20 0 FHADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]ccc4[nH]ccc42)CC3)cs1 ZINC001164693310 719803807 /nfs/dbraw/zinc/80/38/07/719803807.db2.gz RXOUKTRBCZWKJF-UHFFFAOYSA-N 2 0 367.522 3.963 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546845 927442015 /nfs/dbraw/zinc/44/20/15/927442015.db2.gz VUXAOGCSERVCRR-APWZRJJASA-N 2 0 358.530 3.886 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547181 927458820 /nfs/dbraw/zinc/45/88/20/927458820.db2.gz AQQZJAFYNLQNNA-WFASDCNBSA-N 2 0 355.295 3.784 20 0 FHADRP C[NH+](C)CCc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000654979329 927733197 /nfs/dbraw/zinc/73/31/97/927733197.db2.gz WOSFTPLIXLLVAM-UHFFFAOYSA-N 2 0 365.521 3.681 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000274740659 927764883 /nfs/dbraw/zinc/76/48/83/927764883.db2.gz ADYHWSLUQWJJCK-VGKUOYCKSA-N 2 0 362.583 3.566 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000154538242 937232966 /nfs/dbraw/zinc/23/29/66/937232966.db2.gz IWEBLULFSOAWAO-NRFANRHFSA-N 2 0 371.569 3.830 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000274781139 928273359 /nfs/dbraw/zinc/27/33/59/928273359.db2.gz KQAUJEIUKZXNMR-SEJPIABJSA-N 2 0 351.494 3.862 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170838 928505246 /nfs/dbraw/zinc/50/52/46/928505246.db2.gz UFTKRMMNQUIJAF-LJQANCHMSA-N 2 0 353.510 3.510 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccncc2)CC1 ZINC000179387743 928737759 /nfs/dbraw/zinc/73/77/59/928737759.db2.gz AZDAYKPDWUYCAM-SJORKVTESA-N 2 0 356.489 3.774 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000154549521 928937588 /nfs/dbraw/zinc/93/75/88/928937588.db2.gz NIVRDZQNYUCJEJ-FQEVSTJZSA-N 2 0 366.553 3.817 20 0 FHADRP C[C@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000547740534 929169007 /nfs/dbraw/zinc/16/90/07/929169007.db2.gz CBWNALJRXIGAPB-WYVVHKHJSA-N 2 0 369.597 3.918 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119265 929380451 /nfs/dbraw/zinc/38/04/51/929380451.db2.gz UDJSIRIIMLTSRF-NFBKMPQASA-N 2 0 351.538 3.700 20 0 FHADRP CC1CC[NH+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180133859 929391056 /nfs/dbraw/zinc/39/10/56/929391056.db2.gz MOYLUWYLRKSMNZ-NRFANRHFSA-N 2 0 358.505 3.750 20 0 FHADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000180464635 929518678 /nfs/dbraw/zinc/51/86/78/929518678.db2.gz LRFAELFRNGLOQJ-UWJYYQICSA-N 2 0 357.929 3.655 20 0 FHADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000046955978 929672032 /nfs/dbraw/zinc/67/20/32/929672032.db2.gz LSAOKVRKDCHCPV-SFHVURJKSA-N 2 0 372.557 3.914 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691281 929807967 /nfs/dbraw/zinc/80/79/67/929807967.db2.gz AVVHAMQWQTYUCV-KJJMTIBFSA-N 2 0 366.553 3.945 20 0 FHADRP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371349 930174115 /nfs/dbraw/zinc/17/41/15/930174115.db2.gz JHFVXZFMPVJNSC-PXNSSMCTSA-N 2 0 351.485 3.516 20 0 FHADRP CN1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000126631684 937399626 /nfs/dbraw/zinc/39/96/26/937399626.db2.gz ZRPJAGLDWHELER-SEJPIABJSA-N 2 0 361.961 3.909 20 0 FHADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000580113809 930258102 /nfs/dbraw/zinc/25/81/02/930258102.db2.gz YCGLPOZPVDSECX-RBUKOAKNSA-N 2 0 361.549 3.543 20 0 FHADRP C[C@@H]([NH2+][C@H]1CSc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000683824205 930308526 /nfs/dbraw/zinc/30/85/26/930308526.db2.gz HBRTYHWVJLEPLH-ABAIWWIYSA-N 2 0 355.345 3.916 20 0 FHADRP C[NH+](C)CCc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000564587388 930410281 /nfs/dbraw/zinc/41/02/81/930410281.db2.gz YUHJVQVEKIPEPU-UHFFFAOYSA-N 2 0 371.569 3.519 20 0 FHADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000580280099 930433158 /nfs/dbraw/zinc/43/31/58/930433158.db2.gz YHPRWNAPZJRUNB-AWEZNQCLSA-N 2 0 352.425 3.670 20 0 FHADRP CC1CC[NH+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000548082271 930550050 /nfs/dbraw/zinc/55/00/50/930550050.db2.gz GAJAFTQUZSNFCK-UHFFFAOYSA-N 2 0 357.542 3.524 20 0 FHADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510328265 930652162 /nfs/dbraw/zinc/65/21/62/930652162.db2.gz ACMKCNQUZDUVFY-LJQANCHMSA-N 2 0 357.542 3.553 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000548095350 930674642 /nfs/dbraw/zinc/67/46/42/930674642.db2.gz YOQAMEQNQNFYCV-QHCPKHFHSA-N 2 0 354.538 3.795 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000129768837 930684453 /nfs/dbraw/zinc/68/44/53/930684453.db2.gz RPBSIUXGKUSYMC-OAQYLSRUSA-N 2 0 371.569 3.830 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000580499071 930758782 /nfs/dbraw/zinc/75/87/82/930758782.db2.gz MRFKJLUSJPAYLN-JOCHJYFZSA-N 3 0 357.586 3.808 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H](c1ccccc1)N(C)C ZINC000471587722 930791332 /nfs/dbraw/zinc/79/13/32/930791332.db2.gz VXMLAPDJLKZCNE-YYDVJCTNSA-N 2 0 369.553 3.969 20 0 FHADRP CSC1(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC[NH+](C)CC1 ZINC000564433259 930927895 /nfs/dbraw/zinc/92/78/95/930927895.db2.gz AUHYUBXLEPMDGA-LJQANCHMSA-N 2 0 359.514 3.727 20 0 FHADRP c1csc(N2CCC([NH2+]Cc3ccccc3C[NH+]3CCCCC3)CC2)n1 ZINC000580670403 930994417 /nfs/dbraw/zinc/99/44/17/930994417.db2.gz ZFGKPMHWDGBKPY-UHFFFAOYSA-N 2 0 370.566 3.888 20 0 FHADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744243 931091936 /nfs/dbraw/zinc/09/19/36/931091936.db2.gz IGPNZJWBRJWXIL-SJCJKPOMSA-N 2 0 362.315 3.545 20 0 FHADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000580901871 931320193 /nfs/dbraw/zinc/32/01/93/931320193.db2.gz DDBOMTDWWYRWLQ-IRXDYDNUSA-N 2 0 356.432 3.613 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000581100775 931565825 /nfs/dbraw/zinc/56/58/25/931565825.db2.gz QIGWXHIQTPXNPA-INIZCTEOSA-N 2 0 370.440 3.623 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCC[NH+]2CCCCC2)cc1 ZINC000656407905 931598077 /nfs/dbraw/zinc/59/80/77/931598077.db2.gz UQJYNTWNWFZMSF-XQUALCHDSA-N 2 0 367.581 3.705 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156335 931729297 /nfs/dbraw/zinc/72/92/97/931729297.db2.gz IOFONQSDDWWNLY-OFNKIYASSA-N 2 0 374.532 3.915 20 0 FHADRP CSC1(C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC[NH+](C)CC1 ZINC000581399171 931962208 /nfs/dbraw/zinc/96/22/08/931962208.db2.gz AXTMZWIZVPVBFS-UHFFFAOYSA-N 2 0 370.566 3.767 20 0 FHADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000430587104 931972973 /nfs/dbraw/zinc/97/29/73/931972973.db2.gz YHBKMTGUVQMYRJ-OAQYLSRUSA-N 2 0 351.494 3.662 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000656537888 932029789 /nfs/dbraw/zinc/02/97/89/932029789.db2.gz IILLATISGUFMSB-FKBYEOEOSA-N 2 0 362.521 3.744 20 0 FHADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581458114 932090692 /nfs/dbraw/zinc/09/06/92/932090692.db2.gz BUFMTWWHFJHMHJ-PZJWPPBQSA-N 2 0 352.526 3.689 20 0 FHADRP Cc1cccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000076399935 932377357 /nfs/dbraw/zinc/37/73/57/932377357.db2.gz PAPQEAYZXUDICG-UHFFFAOYSA-N 2 0 368.521 3.774 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)nc1 ZINC000656783302 932411056 /nfs/dbraw/zinc/41/10/56/932411056.db2.gz ORKCQKFRVYISAQ-OAQYLSRUSA-N 2 0 365.521 3.872 20 0 FHADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786527 932417564 /nfs/dbraw/zinc/41/75/64/932417564.db2.gz UCQWGACQGBANNE-HXUWFJFHSA-N 2 0 365.521 3.872 20 0 FHADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786525 932417898 /nfs/dbraw/zinc/41/78/98/932417898.db2.gz UCQWGACQGBANNE-FQEVSTJZSA-N 2 0 365.521 3.872 20 0 FHADRP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785995 932418385 /nfs/dbraw/zinc/41/83/85/932418385.db2.gz PGVZHYIGTDTWMK-SFHVURJKSA-N 2 0 371.550 3.934 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)ccn1 ZINC000656784701 932419076 /nfs/dbraw/zinc/41/90/76/932419076.db2.gz FXKXZXXBJGIBBD-QFIPXVFZSA-N 2 0 365.521 3.872 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656783834 932420081 /nfs/dbraw/zinc/42/00/81/932420081.db2.gz AHVCGHUJTLZNDU-QGZVFWFLSA-N 2 0 368.468 3.898 20 0 FHADRP C[NH2+]C[C@H]1CCCN([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631238 932422956 /nfs/dbraw/zinc/42/29/56/932422956.db2.gz UAPKRKQNINVLRE-QZTJIDSGSA-N 2 0 351.494 3.931 20 0 FHADRP C[NH2+]C[C@H]1CCCN([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631241 932423050 /nfs/dbraw/zinc/42/30/50/932423050.db2.gz UAPKRKQNINVLRE-ZWKOTPCHSA-N 2 0 351.494 3.931 20 0 FHADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000684367425 932426523 /nfs/dbraw/zinc/42/65/23/932426523.db2.gz OVFAFHBVISPMOJ-UHFFFAOYSA-N 2 0 372.384 3.932 20 0 FHADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000647171289 932429135 /nfs/dbraw/zinc/42/91/35/932429135.db2.gz DXPXFXBMQPQLCU-CALCHBBNSA-N 2 0 358.530 3.836 20 0 FHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000581726145 932559558 /nfs/dbraw/zinc/55/95/58/932559558.db2.gz BMTXUBLSLRLLNK-DLBZAZTESA-N 2 0 364.468 3.848 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000581734030 932572600 /nfs/dbraw/zinc/57/26/00/932572600.db2.gz XCRUDJFZFNJHTN-UYAOXDASSA-N 2 0 355.526 3.529 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000581740560 932583580 /nfs/dbraw/zinc/58/35/80/932583580.db2.gz DFRZITCXJSNUQM-KXXHFCIOSA-N 2 0 350.506 3.736 20 0 FHADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411340 932588290 /nfs/dbraw/zinc/58/82/90/932588290.db2.gz KECLYCQEFZIMSS-CRAIPNDOSA-N 2 0 356.432 3.934 20 0 FHADRP CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000891486958 932640443 /nfs/dbraw/zinc/64/04/43/932640443.db2.gz QBFSVPPLYCNKHM-UHFFFAOYSA-N 2 0 371.447 3.696 20 0 FHADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854957 933155127 /nfs/dbraw/zinc/15/51/27/933155127.db2.gz CPJUATWKYYOETQ-FYYLOGMGSA-N 2 0 365.521 3.817 20 0 FHADRP Cc1ccc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430920862 933417836 /nfs/dbraw/zinc/41/78/36/933417836.db2.gz QPZDYGDBQVRYJH-UHFFFAOYSA-N 2 0 357.586 3.666 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430964284 933508651 /nfs/dbraw/zinc/50/86/51/933508651.db2.gz YLQZNCHBXNEYEY-UZLBHIALSA-N 2 0 362.477 3.885 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1)C1CC1 ZINC000510738156 933623635 /nfs/dbraw/zinc/62/36/35/933623635.db2.gz SPJLTXPSBNNUSI-HXUWFJFHSA-N 2 0 371.550 3.765 20 0 FHADRP CC(C)N(C)C(=O)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000091952647 933736804 /nfs/dbraw/zinc/73/68/04/933736804.db2.gz NOQWLHNAUIWTKK-UHFFFAOYSA-N 2 0 373.585 3.723 20 0 FHADRP CCC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000548442395 933792000 /nfs/dbraw/zinc/79/20/00/933792000.db2.gz YOTOVSLIDIBFLU-LEWJYISDSA-N 2 0 353.510 3.537 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823458 933807014 /nfs/dbraw/zinc/80/70/14/933807014.db2.gz BNHCLXUOVNWRQD-OALUTQOASA-N 2 0 359.558 3.910 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)cc1 ZINC000510839812 933836731 /nfs/dbraw/zinc/83/67/31/933836731.db2.gz XXDJLNPECOUQTK-MOPGFXCFSA-N 2 0 359.558 3.911 20 0 FHADRP C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000684558539 933899727 /nfs/dbraw/zinc/89/97/27/933899727.db2.gz JTKQWWHJOCIHJJ-BDJLRTHQSA-N 2 0 364.839 3.712 20 0 FHADRP CCOc1c(Cl)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000092380974 934031457 /nfs/dbraw/zinc/03/14/57/934031457.db2.gz RBFYBZRADAUQCC-UHFFFAOYSA-N 2 0 354.922 3.911 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000132304188 934033320 /nfs/dbraw/zinc/03/33/20/934033320.db2.gz OILMLEXMBGKOLW-RDTXWAMCSA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000132379476 934036380 /nfs/dbraw/zinc/03/63/80/934036380.db2.gz XTVJLIRIBNZOQF-MSOLQXFVSA-N 2 0 367.990 3.739 20 0 FHADRP CC1CC[NH+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092561458 934093075 /nfs/dbraw/zinc/09/30/75/934093075.db2.gz WAAZILRGSAJYSC-UHFFFAOYSA-N 2 0 352.563 3.989 20 0 FHADRP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1-n1cncn1 ZINC000092587639 934099885 /nfs/dbraw/zinc/09/98/85/934099885.db2.gz WRQOCWHVHCBQLZ-OAQYLSRUSA-N 2 0 367.541 3.520 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844574 934180420 /nfs/dbraw/zinc/18/04/20/934180420.db2.gz RDZWHNLXYWFNCP-GOSISDBHSA-N 2 0 367.541 3.948 20 0 FHADRP CC[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+](CC)CC ZINC000535695987 934290222 /nfs/dbraw/zinc/29/02/22/934290222.db2.gz IUSLGORYWFMCGX-NRFANRHFSA-N 2 0 371.569 3.622 20 0 FHADRP C[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276998679 934432012 /nfs/dbraw/zinc/43/20/12/934432012.db2.gz YWNSJMJHDROFDM-OAGGEKHMSA-N 2 0 358.486 3.611 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccnc4ccccc34)CC2)C[C@@H](C)O1 ZINC000535827853 934528204 /nfs/dbraw/zinc/52/82/04/934528204.db2.gz CEJQCTKAHQORGF-QZTJIDSGSA-N 2 0 353.510 3.556 20 0 FHADRP COc1ccccc1C1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000647233002 934863905 /nfs/dbraw/zinc/86/39/05/934863905.db2.gz NIHMHJQOEKDGBB-UHFFFAOYSA-N 2 0 366.505 3.949 20 0 FHADRP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2c1C ZINC000472040787 934878513 /nfs/dbraw/zinc/87/85/13/934878513.db2.gz ABULURBXNIIWFM-OAQYLSRUSA-N 2 0 363.505 3.641 20 0 FHADRP C[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@H]1CCCC[NH+]1C ZINC001167508944 935014716 /nfs/dbraw/zinc/01/47/16/935014716.db2.gz KDZVRTLCBXZBBP-QGZVFWFLSA-N 2 0 353.551 3.582 20 0 FHADRP COCc1csc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000657301203 935023502 /nfs/dbraw/zinc/02/35/02/935023502.db2.gz VSNUNQUFVVHDSD-CALCHBBNSA-N 2 0 374.550 3.794 20 0 FHADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472109958 935053158 /nfs/dbraw/zinc/05/31/58/935053158.db2.gz FXADVXDDOAXTDH-PZJWPPBQSA-N 2 0 374.573 3.585 20 0 FHADRP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000892127260 935070574 /nfs/dbraw/zinc/07/05/74/935070574.db2.gz PHMDUOLZMFCJJK-FQEVSTJZSA-N 2 0 372.557 3.517 20 0 FHADRP Clc1ccc(OCCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657332070 935242609 /nfs/dbraw/zinc/24/26/09/935242609.db2.gz ADLUHNIDSNAOIW-UHFFFAOYSA-N 2 0 356.857 3.870 20 0 FHADRP Clc1ccc(N2CC[C@H](C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000657332937 935247410 /nfs/dbraw/zinc/24/74/10/935247410.db2.gz RRNXQZHAXWECBP-MRXNPFEDSA-N 2 0 367.884 3.537 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947607 935309428 /nfs/dbraw/zinc/30/94/28/935309428.db2.gz FDVKYYJFNGQWFK-XWSJACJDSA-N 2 0 365.562 3.629 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2OCCO)CC1 ZINC000438844597 945091662 /nfs/dbraw/zinc/09/16/62/945091662.db2.gz WLLXJJAJYDUWPT-UHFFFAOYSA-N 2 0 368.521 3.591 20 0 FHADRP Fc1cncc(Br)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000657359403 935352169 /nfs/dbraw/zinc/35/21/69/935352169.db2.gz WUBDJTSDZHQMHD-UHFFFAOYSA-N 2 0 358.299 3.729 20 0 FHADRP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1F ZINC000415006632 945096853 /nfs/dbraw/zinc/09/68/53/945096853.db2.gz QJZCRCQESORNLE-PKOBYXMFSA-N 2 0 360.448 3.846 20 0 FHADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192986 935391789 /nfs/dbraw/zinc/39/17/89/935391789.db2.gz ZYWBKRMJVGMUOT-PZJWPPBQSA-N 2 0 371.569 3.685 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1CC[NH2+]CC1 ZINC000582295323 935499588 /nfs/dbraw/zinc/49/95/88/935499588.db2.gz YMBJHRAQZCLEMZ-KRWDZBQOSA-N 2 0 362.315 3.897 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657391770 935527961 /nfs/dbraw/zinc/52/79/61/935527961.db2.gz ZICFFQHWBNEVNJ-QFIPXVFZSA-N 2 0 360.542 3.702 20 0 FHADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cc(Cl)ccc1Cl ZINC000261775671 935531547 /nfs/dbraw/zinc/53/15/47/935531547.db2.gz XIMUJCKBGGVOBS-INIZCTEOSA-N 2 0 370.324 3.786 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707969276 935538083 /nfs/dbraw/zinc/53/80/83/935538083.db2.gz ZPCCKGBCUNYKCP-VJANTYMQSA-N 2 0 367.578 3.875 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158586393 935647188 /nfs/dbraw/zinc/64/71/88/935647188.db2.gz HTAVHUISYZPXCZ-SVHPSLOZSA-N 2 0 350.572 3.833 20 0 FHADRP CC(C)Sc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000511129070 935727461 /nfs/dbraw/zinc/72/74/61/935727461.db2.gz DBYQIZTVAMJSNA-QGZVFWFLSA-N 2 0 350.572 3.712 20 0 FHADRP CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000657495966 935874506 /nfs/dbraw/zinc/87/45/06/935874506.db2.gz LETBDBCYNJBBPL-AVRDEDQJSA-N 2 0 371.569 3.832 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)C[C@H](C)O1 ZINC000684953753 935898586 /nfs/dbraw/zinc/89/85/86/935898586.db2.gz KHINIZBSFBAMLS-SVMVAKDDSA-N 2 0 365.521 3.858 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000582661039 935918630 /nfs/dbraw/zinc/91/86/30/935918630.db2.gz WHEVYVGISWTXMG-INIZCTEOSA-N 2 0 351.922 3.770 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442487 935927655 /nfs/dbraw/zinc/92/76/55/935927655.db2.gz RDHPSMOANRFAGR-DENIHFKCSA-N 2 0 355.526 3.779 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237343198 935954603 /nfs/dbraw/zinc/95/46/03/935954603.db2.gz LUJDVOPBJKYSKT-XMSQKQJNSA-N 2 0 365.521 3.767 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC[NH2+]CC1 ZINC000237478314 936076343 /nfs/dbraw/zinc/07/63/43/936076343.db2.gz AVOHPBODZKTRID-IBGZPJMESA-N 2 0 371.569 3.705 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237484960 936086097 /nfs/dbraw/zinc/08/60/97/936086097.db2.gz VXZODVUYAXHCGH-UGKGYDQZSA-N 2 0 371.569 3.705 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000657612329 936091957 /nfs/dbraw/zinc/09/19/57/936091957.db2.gz MKBJNVASBWGRLU-UHFFFAOYSA-N 2 0 359.901 3.745 20 0 FHADRP Fc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ncccc12 ZINC000657613507 936093277 /nfs/dbraw/zinc/09/32/77/936093277.db2.gz MAXRDXIXICVHKZ-UHFFFAOYSA-N 2 0 364.468 3.771 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CC1(C)C ZINC000582799737 936139540 /nfs/dbraw/zinc/13/95/40/936139540.db2.gz YBQREPYKSPBGHZ-TYPHKJRUSA-N 2 0 356.554 3.939 20 0 FHADRP CN(c1ccccc1C[NH2+]CC[C@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000657669962 936209930 /nfs/dbraw/zinc/20/99/30/936209930.db2.gz BYEZRVZKFNMARN-LJQANCHMSA-N 2 0 351.485 3.742 20 0 FHADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000237728953 936227778 /nfs/dbraw/zinc/22/77/78/936227778.db2.gz MTZAIVHCOIGRSS-UTKZUKDTSA-N 2 0 351.494 3.947 20 0 FHADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000150984923 938252789 /nfs/dbraw/zinc/25/27/89/938252789.db2.gz CAVYWXAGXDQNJO-GFCCVEGCSA-N 2 0 362.320 3.809 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cncs2)CC1 ZINC000127238448 938260297 /nfs/dbraw/zinc/26/02/97/938260297.db2.gz QUZIGPFPVRINLF-HUUCEWRRSA-N 2 0 362.518 3.836 20 0 FHADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000151004095 938269514 /nfs/dbraw/zinc/26/95/14/938269514.db2.gz JRURABKLHPNJTG-SFHVURJKSA-N 2 0 368.363 3.516 20 0 FHADRP c1nc([C@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798740 938278050 /nfs/dbraw/zinc/27/80/50/938278050.db2.gz VRGBOEUDNIPYOB-FQEVSTJZSA-N 2 0 364.537 3.852 20 0 FHADRP CCCCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705601 938283827 /nfs/dbraw/zinc/28/38/27/938283827.db2.gz NKLKHDIRUJGRMK-TUNNFDKTSA-N 2 0 360.542 3.974 20 0 FHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706742 938286741 /nfs/dbraw/zinc/28/67/41/938286741.db2.gz RRCCFQPOLNMRHN-NLWGTHIKSA-N 2 0 371.550 3.837 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000472291118 938293972 /nfs/dbraw/zinc/29/39/72/938293972.db2.gz JCVPWJFOVVPNEB-OAQYLSRUSA-N 2 0 369.509 3.807 20 0 FHADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000583567390 938305498 /nfs/dbraw/zinc/30/54/98/938305498.db2.gz VGBRHICUTIUSGR-SFHVURJKSA-N 2 0 365.521 3.933 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Br)c(OC)s1 ZINC000650719145 938306911 /nfs/dbraw/zinc/30/69/11/938306911.db2.gz FTSHWSOKGZYPIL-UHFFFAOYSA-N 2 0 355.301 3.528 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722800 938309930 /nfs/dbraw/zinc/30/99/30/938309930.db2.gz BKYCVQXTPCKKFL-QRQLOZEOSA-N 2 0 357.523 3.671 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000650723622 938310800 /nfs/dbraw/zinc/31/08/00/938310800.db2.gz RAAHPAIAMIHRRC-OIISXLGYSA-N 2 0 360.395 3.705 20 0 FHADRP CN(C)c1cc[nH+]cc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773622 938310813 /nfs/dbraw/zinc/31/08/13/938310813.db2.gz UFHXORZYGZLKEY-OAQYLSRUSA-N 2 0 364.537 3.540 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000650723600 938310817 /nfs/dbraw/zinc/31/08/17/938310817.db2.gz QSMZSFSKQJMGFI-COXVUDFISA-N 2 0 360.395 3.705 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(Cl)c1OC ZINC000583592072 938311280 /nfs/dbraw/zinc/31/12/80/938311280.db2.gz QSHWZYNDTYYFCZ-MRXNPFEDSA-N 2 0 352.906 3.521 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000468338230 938322603 /nfs/dbraw/zinc/32/26/03/938322603.db2.gz LZDJFDMFAYAPMK-UHFFFAOYSA-N 2 0 374.573 3.544 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415007885 945165748 /nfs/dbraw/zinc/16/57/48/945165748.db2.gz RVRZGFYASDCQPS-CRAIPNDOSA-N 2 0 366.431 3.557 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583660556 938344851 /nfs/dbraw/zinc/34/48/51/938344851.db2.gz CEIZVNBUFGYQQN-GHTZIAJQSA-N 3 0 369.528 3.888 20 0 FHADRP FC(F)C(F)(F)COCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278370345 938355483 /nfs/dbraw/zinc/35/54/83/938355483.db2.gz DMNHQAVGPUWQMG-OSYLJGHBSA-N 2 0 374.422 3.689 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166533766 938434612 /nfs/dbraw/zinc/43/46/12/938434612.db2.gz WZRMELNWBRKLCM-WOJBJXKFSA-N 3 0 361.961 3.768 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1)CC1CC1 ZINC000536141956 938443925 /nfs/dbraw/zinc/44/39/25/938443925.db2.gz YLRWLUAHTKYEFD-UHFFFAOYSA-N 2 0 350.576 3.543 20 0 FHADRP Fc1cncc([C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)c1 ZINC000467353963 945176306 /nfs/dbraw/zinc/17/63/06/945176306.db2.gz BXHOWOCKHWUKPU-AVRDEDQJSA-N 2 0 353.485 3.826 20 0 FHADRP COc1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC000657803862 938467298 /nfs/dbraw/zinc/46/72/98/938467298.db2.gz ALASHMFWSMLDCU-UHFFFAOYSA-N 2 0 354.494 3.768 20 0 FHADRP Fc1ccc(Br)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811445 938506157 /nfs/dbraw/zinc/50/61/57/938506157.db2.gz BWIYZKAIQYNATK-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP c1ccc(OCc2ccncc2)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812118 938514901 /nfs/dbraw/zinc/51/49/01/938514901.db2.gz LVTBGJKMKGTFCJ-UHFFFAOYSA-N 2 0 365.521 3.872 20 0 FHADRP CCOc1c(Cl)cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000657812099 938514951 /nfs/dbraw/zinc/51/49/51/938514951.db2.gz KETTUQGIRJUTBO-UHFFFAOYSA-N 2 0 366.933 3.959 20 0 FHADRP Fc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000657811776 938516108 /nfs/dbraw/zinc/51/61/08/938516108.db2.gz FQCIGHZRDZBCCE-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000132587326 938530533 /nfs/dbraw/zinc/53/05/33/938530533.db2.gz NQOJBTFJEVBUIP-QFIPXVFZSA-N 2 0 354.469 3.560 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000158598163 938551618 /nfs/dbraw/zinc/55/16/18/938551618.db2.gz FWRPCCDQFFBZSH-OQLXKQOESA-N 2 0 372.601 3.640 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000132972293 938552032 /nfs/dbraw/zinc/55/20/32/938552032.db2.gz VFLLELHICZDUDZ-BBWFWOEESA-N 2 0 373.566 3.879 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657836647 938646435 /nfs/dbraw/zinc/64/64/35/938646435.db2.gz VBAGQYFUMQHOBQ-PZJWPPBQSA-N 2 0 363.977 3.983 20 0 FHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000657837418 938663864 /nfs/dbraw/zinc/66/38/64/938663864.db2.gz ZVWDBCINIBTXQC-QHCPKHFHSA-N 2 0 357.586 3.880 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302093 938677617 /nfs/dbraw/zinc/67/76/17/938677617.db2.gz RYOZKHSTTYNDMM-NXWXRZEISA-N 2 0 369.475 3.948 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000151793715 938681187 /nfs/dbraw/zinc/68/11/87/938681187.db2.gz SCXAWYRTTSTTQD-CYBMUJFWSA-N 2 0 363.354 3.726 20 0 FHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)CC1 ZINC000584338375 938689030 /nfs/dbraw/zinc/68/90/30/938689030.db2.gz ICWGGDWOEIRDLK-NRFANRHFSA-N 2 0 369.553 3.586 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000151844482 938707974 /nfs/dbraw/zinc/70/79/74/938707974.db2.gz BLEBKRYQOWSNJH-HNNXBMFYSA-N 2 0 362.514 3.909 20 0 FHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)CC1 ZINC000584378475 938785524 /nfs/dbraw/zinc/78/55/24/938785524.db2.gz LGZGPZVQALJVHA-OAHLLOKOSA-N 2 0 360.452 3.519 20 0 FHADRP C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000507404861 945211459 /nfs/dbraw/zinc/21/14/59/945211459.db2.gz PNWMFKXYGMKPDN-CQSZACIVSA-N 2 0 366.427 3.938 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000507407062 945212229 /nfs/dbraw/zinc/21/22/29/945212229.db2.gz STQMMGISGOWZLM-QGZVFWFLSA-N 2 0 360.546 3.943 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879794 938884117 /nfs/dbraw/zinc/88/41/17/938884117.db2.gz OWQCZQIPEVXJTK-KRWDZBQOSA-N 2 0 353.514 3.715 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091283690 938899283 /nfs/dbraw/zinc/89/92/83/938899283.db2.gz ASMNTJHNCGVNGJ-LJQANCHMSA-N 2 0 369.475 3.772 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000708541158 938903192 /nfs/dbraw/zinc/90/31/92/938903192.db2.gz IKDPKBUVZMEBAV-PGRDOPGGSA-N 2 0 360.505 3.934 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000093769481 938930059 /nfs/dbraw/zinc/93/00/59/938930059.db2.gz QFKIHDBXTYMTQF-UHFFFAOYSA-N 2 0 351.560 3.591 20 0 FHADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000536214322 938930248 /nfs/dbraw/zinc/93/02/48/938930248.db2.gz JQMCRCIQVRZMHM-OAQYLSRUSA-N 2 0 365.521 3.907 20 0 FHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000093844446 938930755 /nfs/dbraw/zinc/93/07/55/938930755.db2.gz KWZRAZLQCRDFCN-HOTGVXAUSA-N 2 0 363.571 3.732 20 0 FHADRP COc1cc(F)cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000093970894 938932350 /nfs/dbraw/zinc/93/23/50/938932350.db2.gz QDHHJCUQRHYJPR-UHFFFAOYSA-N 2 0 358.457 3.599 20 0 FHADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000657869337 938938090 /nfs/dbraw/zinc/93/80/90/938938090.db2.gz HPXNYKLTTHIKKU-QFUCXCTJSA-N 2 0 363.977 3.839 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000657869339 938938110 /nfs/dbraw/zinc/93/81/10/938938110.db2.gz HPXNYKLTTHIKKU-YFVAEKQCSA-N 2 0 363.977 3.839 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000657872072 938959042 /nfs/dbraw/zinc/95/90/42/938959042.db2.gz XZUYKIFOUVRMAJ-FXAWDEMLSA-N 2 0 351.966 3.524 20 0 FHADRP CN1CCC[C@@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768691 938965921 /nfs/dbraw/zinc/96/59/21/938965921.db2.gz OAPXTXLUWXINOR-RDJZCZTQSA-N 2 0 356.432 3.714 20 0 FHADRP C[N@H+](CCCc1c(F)cccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457484 938987862 /nfs/dbraw/zinc/98/78/62/938987862.db2.gz CQMZBQXBRLSAHZ-KRWDZBQOSA-N 2 0 367.940 3.512 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000685453835 938988218 /nfs/dbraw/zinc/98/82/18/938988218.db2.gz YQZMSVVHUUTTOO-UHFFFAOYSA-N 2 0 373.585 3.524 20 0 FHADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)CC1 ZINC000685455051 938988295 /nfs/dbraw/zinc/98/82/95/938988295.db2.gz IPERDHMWYNHXNW-UHFFFAOYSA-N 2 0 371.500 3.545 20 0 FHADRP OC1(CNc2cc[nH+]c3cc(F)ccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000413569605 938991264 /nfs/dbraw/zinc/99/12/64/938991264.db2.gz AWEWXKHBAKRTEC-UHFFFAOYSA-N 2 0 365.452 3.813 20 0 FHADRP CCOC1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000657898938 938993207 /nfs/dbraw/zinc/99/32/07/938993207.db2.gz RVUWMQCTCOMGJZ-UHFFFAOYSA-N 2 0 374.569 3.995 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431606518 938996989 /nfs/dbraw/zinc/99/69/89/938996989.db2.gz FCFRMYVLEQPQOO-QFIPXVFZSA-N 2 0 367.537 3.838 20 0 FHADRP C[C@H](Cn1cncn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658004094 939018510 /nfs/dbraw/zinc/01/85/10/939018510.db2.gz BKHOLUIZYCSXNG-XMMBUWISSA-N 2 0 373.932 3.524 20 0 FHADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000658044959 939019953 /nfs/dbraw/zinc/01/99/53/939019953.db2.gz AZDGPKIRIJLFEC-BPQIPLTHSA-N 2 0 353.348 3.946 20 0 FHADRP C([NH2+]C1CCC(OC2CCCC2)CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658070824 939021868 /nfs/dbraw/zinc/02/18/68/939021868.db2.gz RNNKUWKVVNDKJK-UHFFFAOYSA-N 2 0 364.574 3.737 20 0 FHADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658089623 939022197 /nfs/dbraw/zinc/02/21/97/939022197.db2.gz AKAWKWLVRYJCQD-DOTOQJQBSA-N 2 0 365.949 3.539 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)C1 ZINC000658136707 939030458 /nfs/dbraw/zinc/03/04/58/939030458.db2.gz IZDSGVZXEYZOCG-QKDPSFTKSA-N 2 0 372.553 3.613 20 0 FHADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658136511 939031170 /nfs/dbraw/zinc/03/11/70/939031170.db2.gz DHIHTAPXIFMGEA-SIKLNZKXSA-N 2 0 350.506 3.765 20 0 FHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc(C)c1F ZINC000658143119 939036293 /nfs/dbraw/zinc/03/62/93/939036293.db2.gz WRKQNIRXRDPZKT-DYESRHJHSA-N 2 0 356.485 3.860 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138008 939040426 /nfs/dbraw/zinc/04/04/26/939040426.db2.gz LSLSBGPWLLPOBD-KBXCAEBGSA-N 2 0 362.876 3.897 20 0 FHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138179 939042268 /nfs/dbraw/zinc/04/22/68/939042268.db2.gz NBAMUEHAGXGIGX-DNVCBOLYSA-N 2 0 374.912 3.766 20 0 FHADRP CCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000658164441 939052463 /nfs/dbraw/zinc/05/24/63/939052463.db2.gz DAJUBROWKAUHHN-HNNXBMFYSA-N 2 0 358.555 3.972 20 0 FHADRP CCc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000658168002 939054417 /nfs/dbraw/zinc/05/44/17/939054417.db2.gz UZAXUPDVVCOUCT-GOSISDBHSA-N 2 0 370.566 3.980 20 0 FHADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506023487 945226382 /nfs/dbraw/zinc/22/63/82/945226382.db2.gz YSRFKWUVNRYZIU-INIZCTEOSA-N 2 0 352.469 3.850 20 0 FHADRP CNC(=O)CC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCCCC1 ZINC000658304701 939095932 /nfs/dbraw/zinc/09/59/32/939095932.db2.gz HFWKFVABKNOSKT-QUCCMNQESA-N 2 0 363.590 3.706 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307996 939097748 /nfs/dbraw/zinc/09/77/48/939097748.db2.gz NVDHXVXVWAIEOJ-PZJWPPBQSA-N 2 0 371.569 3.573 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658294085 939100673 /nfs/dbraw/zinc/10/06/73/939100673.db2.gz FXNHHIVDBVNWNZ-FQEVSTJZSA-N 2 0 365.606 3.509 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658313706 939108529 /nfs/dbraw/zinc/10/85/29/939108529.db2.gz MOCJOKINQBBUAX-JOCHJYFZSA-N 2 0 368.606 3.823 20 0 FHADRP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658318656 939110584 /nfs/dbraw/zinc/11/05/84/939110584.db2.gz RLZYJGXXFRZCPN-UXHICEINSA-N 2 0 350.510 3.610 20 0 FHADRP Fc1ccc(N2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)c(F)c1 ZINC000658357705 939126222 /nfs/dbraw/zinc/12/62/22/939126222.db2.gz VSFZLPRIWOAZOG-UHFFFAOYSA-N 2 0 363.496 3.645 20 0 FHADRP COCC1(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC[NH2+]CC1 ZINC000414970969 945255596 /nfs/dbraw/zinc/25/55/96/945255596.db2.gz IEAGGRMQBMFIQF-UHFFFAOYSA-N 2 0 358.457 3.724 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000427317063 945267055 /nfs/dbraw/zinc/26/70/55/945267055.db2.gz UAIRWYKULWAVNY-APWZRJJASA-N 2 0 365.949 3.619 20 0 FHADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000312932170 945267329 /nfs/dbraw/zinc/26/73/29/945267329.db2.gz ODFBRPCYFLSRGY-PGRDOPGGSA-N 2 0 374.475 3.890 20 0 FHADRP C[C@@H](CC[NH2+]C1CCN(CCC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000507496401 945267690 /nfs/dbraw/zinc/26/76/90/945267690.db2.gz OPOMEPYKXCRZME-KRWDZBQOSA-N 2 0 371.491 3.903 20 0 FHADRP COc1cc2c(c(C[NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@H](C)C2 ZINC000518266170 945269016 /nfs/dbraw/zinc/26/90/16/945269016.db2.gz OLIORRCDEPWJCP-FGTMMUONSA-N 2 0 360.542 3.866 20 0 FHADRP c1nc(C2CC2)oc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000628227424 939902829 /nfs/dbraw/zinc/90/28/29/939902829.db2.gz GCVXNIHGZLOZFR-UHFFFAOYSA-N 2 0 369.509 3.713 20 0 FHADRP Cc1nc(C)c(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)o1 ZINC000628232037 939911779 /nfs/dbraw/zinc/91/17/79/939911779.db2.gz KGYWOLGQWBMORT-CALCHBBNSA-N 2 0 371.525 3.590 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000375860419 939982472 /nfs/dbraw/zinc/98/24/72/939982472.db2.gz ICVQWOWINOCMNI-FQEVSTJZSA-N 2 0 350.466 3.802 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472852 939997695 /nfs/dbraw/zinc/99/76/95/939997695.db2.gz HZSGCJRZLNFLPR-RBBKRZOGSA-N 2 0 367.493 3.592 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)nc1 ZINC000647480754 940063108 /nfs/dbraw/zinc/06/31/08/940063108.db2.gz YVXPIKIEAOAYBC-UGKGYDQZSA-N 2 0 351.494 3.625 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883689 940085030 /nfs/dbraw/zinc/08/50/30/940085030.db2.gz QAJZTFGBVSMOLE-IEBWSBKVSA-N 2 0 367.578 3.686 20 0 FHADRP c1csc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]3C2)c1 ZINC001167986228 945296765 /nfs/dbraw/zinc/29/67/65/945296765.db2.gz BEPOAIWFXXTPMJ-APISQKPESA-N 2 0 371.594 3.517 20 0 FHADRP CC(C)C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000570088930 940131767 /nfs/dbraw/zinc/13/17/67/940131767.db2.gz SCURJDWEENMWLA-UWJYYQICSA-N 2 0 353.510 3.641 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCCC5)[C@@H]3C2)cc1 ZINC000507519945 945299022 /nfs/dbraw/zinc/29/90/22/945299022.db2.gz LQGVXYUROCZODA-OGXDUAGGSA-N 2 0 366.549 3.834 20 0 FHADRP C[C@@H](COCC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799804 940183248 /nfs/dbraw/zinc/18/32/48/940183248.db2.gz RCGOTVVQQSCIJM-OWLYRPNTSA-N 2 0 356.432 3.739 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000177484123 940228392 /nfs/dbraw/zinc/22/83/92/940228392.db2.gz UUGQCUMIUPZPNP-FUHWJXTLSA-N 2 0 353.551 3.627 20 0 FHADRP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000376082353 940286004 /nfs/dbraw/zinc/28/60/04/940286004.db2.gz OABHCYBCDHGCNP-PGRDOPGGSA-N 2 0 369.553 3.545 20 0 FHADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c(C)n2n1 ZINC000376162187 940392269 /nfs/dbraw/zinc/39/22/69/940392269.db2.gz LNQOYLKWIXUTIZ-XWFZLUIHSA-N 2 0 363.509 3.690 20 0 FHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000289772834 940394368 /nfs/dbraw/zinc/39/43/68/940394368.db2.gz JXNXCSJGKAVFTM-OTWHNJEPSA-N 2 0 370.459 3.988 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548979061 940412053 /nfs/dbraw/zinc/41/20/53/940412053.db2.gz SBLIIEDXDHLXFN-WOJBJXKFSA-N 2 0 371.569 3.770 20 0 FHADRP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)c2ccccc2C1 ZINC000376182612 940431506 /nfs/dbraw/zinc/43/15/06/940431506.db2.gz SEPXCYFVCNKEGU-JOCHJYFZSA-N 2 0 357.542 3.724 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000548988718 940445521 /nfs/dbraw/zinc/44/55/21/940445521.db2.gz DBDXTEANLUJXIQ-WKCHPHFGSA-N 2 0 373.585 3.902 20 0 FHADRP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000685849515 940461243 /nfs/dbraw/zinc/46/12/43/940461243.db2.gz LIFNFEIQLMQXQC-SFTDATJTSA-N 2 0 358.526 3.551 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054400 940462219 /nfs/dbraw/zinc/46/22/19/940462219.db2.gz BLGUJSFYZBFBSU-TZIWHRDSSA-N 2 0 363.977 3.983 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058832 940467647 /nfs/dbraw/zinc/46/76/47/940467647.db2.gz HWXLDDURBBSGDK-PZJWPPBQSA-N 2 0 363.977 3.983 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414063968 940472589 /nfs/dbraw/zinc/47/25/89/940472589.db2.gz DHOCVIMZDXBMNG-YFVAEKQCSA-N 2 0 363.977 3.839 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000414064856 940473198 /nfs/dbraw/zinc/47/31/98/940473198.db2.gz FFSHIHWRAHNICP-YFVAEKQCSA-N 2 0 363.977 3.839 20 0 FHADRP Cc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776926 940493479 /nfs/dbraw/zinc/49/34/79/940493479.db2.gz UZTRKBQNNDZHHB-RTWAWAEBSA-N 2 0 357.542 3.513 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000431782357 940497800 /nfs/dbraw/zinc/49/78/00/940497800.db2.gz OOBWBYWQVCHJMI-JOCHJYFZSA-N 2 0 371.569 3.943 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414099152 940505084 /nfs/dbraw/zinc/50/50/84/940505084.db2.gz JJQNTJDGKTZREH-UYAOXDASSA-N 2 0 363.977 3.982 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000511473230 940505248 /nfs/dbraw/zinc/50/52/48/940505248.db2.gz ICCRALQYJQUDOT-QFIPXVFZSA-N 2 0 365.521 3.533 20 0 FHADRP COc1cccc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355124 940620689 /nfs/dbraw/zinc/62/06/89/940620689.db2.gz QMSNNSRMXJVQCQ-AATRIKPKSA-N 2 0 354.494 3.824 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCc2cn(C)cn2)c2ccc(F)cc2)CC1 ZINC000414129425 940635539 /nfs/dbraw/zinc/63/55/39/940635539.db2.gz UZSWEBJGAQFTLJ-JOCHJYFZSA-N 2 0 372.532 3.945 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414130788 940643890 /nfs/dbraw/zinc/64/38/90/940643890.db2.gz WWHXHZHRKCPOGR-HOJAQTOUSA-N 2 0 350.934 3.803 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)c1 ZINC000414139016 940657032 /nfs/dbraw/zinc/65/70/32/940657032.db2.gz HEDSFRABQWRLRS-QGZVFWFLSA-N 2 0 357.498 3.580 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414147513 940679176 /nfs/dbraw/zinc/67/91/76/940679176.db2.gz WDABTBMLJZDKFJ-SLYNCCJLSA-N 2 0 363.977 3.982 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1C[C@H]1C ZINC000414151815 940680821 /nfs/dbraw/zinc/68/08/21/940680821.db2.gz WPQJEFKPPYKGBX-NMIHRBCNSA-N 2 0 356.554 3.939 20 0 FHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000414173065 940709384 /nfs/dbraw/zinc/70/93/84/940709384.db2.gz FKCXKVNKZWLMMS-LSTHTHJFSA-N 2 0 350.934 3.752 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000414195900 940745037 /nfs/dbraw/zinc/74/50/37/940745037.db2.gz VDXADMGORSAGAY-UONOGXRCSA-N 2 0 372.294 3.674 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000414194983 940748190 /nfs/dbraw/zinc/74/81/90/940748190.db2.gz WKEMHDIFONCGPW-MRXNPFEDSA-N 2 0 353.422 3.580 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000613491061 940769126 /nfs/dbraw/zinc/76/91/26/940769126.db2.gz DCJXDJCVCZKUCH-LJQANCHMSA-N 2 0 368.949 3.524 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000613492400 940775521 /nfs/dbraw/zinc/77/55/21/940775521.db2.gz LQFZNKKBMHCKCN-SFTDATJTSA-N 2 0 363.590 3.612 20 0 FHADRP CC1(C)Cc2cc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)ccc2O1 ZINC000180275020 940914034 /nfs/dbraw/zinc/91/40/34/940914034.db2.gz VMCBGQYMQGTOGZ-UHFFFAOYSA-N 2 0 351.494 3.801 20 0 FHADRP OC1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414312474 940949307 /nfs/dbraw/zinc/94/93/07/940949307.db2.gz WNVPDFZXYZAMOE-OAQYLSRUSA-N 2 0 370.924 3.944 20 0 FHADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414312515 940949653 /nfs/dbraw/zinc/94/96/53/940949653.db2.gz WQBYJRFKNCCXCN-XMSQKQJNSA-N 2 0 350.506 3.537 20 0 FHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423036224 940956110 /nfs/dbraw/zinc/95/61/10/940956110.db2.gz SSRYATJFUJKTPW-DOTOQJQBSA-N 2 0 350.304 3.723 20 0 FHADRP CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322564 940968644 /nfs/dbraw/zinc/96/86/44/940968644.db2.gz HCKZTRZYQFRKNA-GOSISDBHSA-N 2 0 357.542 3.608 20 0 FHADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414326427 940980849 /nfs/dbraw/zinc/98/08/49/940980849.db2.gz ANOFECPCAJNLSC-XNBWIAOKSA-N 2 0 356.554 3.818 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CCCC[C@H]1C ZINC000414340830 941006176 /nfs/dbraw/zinc/00/61/76/941006176.db2.gz NCICMGYYMFHAGZ-FGSXEWAUSA-N 2 0 371.569 3.688 20 0 FHADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414349815 941026261 /nfs/dbraw/zinc/02/62/61/941026261.db2.gz ZKUGMIWGBKGGCM-WEYGHZABSA-N 2 0 371.569 3.688 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698717 941029796 /nfs/dbraw/zinc/02/97/96/941029796.db2.gz BQKMVKPCKHUTTB-UNMCSNQZSA-N 2 0 367.537 3.783 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000414371723 941063139 /nfs/dbraw/zinc/06/31/39/941063139.db2.gz NRYNFTDWBULVEK-UHFFFAOYSA-N 2 0 356.489 3.628 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000647543624 941065622 /nfs/dbraw/zinc/06/56/22/941065622.db2.gz QIUUFMDZHKHCJU-RTBURBONSA-N 2 0 352.526 3.607 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543825 941065714 /nfs/dbraw/zinc/06/57/14/941065714.db2.gz SOKAPLKXPHCHDV-LEWJYISDSA-N 2 0 365.521 3.872 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544035 941066050 /nfs/dbraw/zinc/06/60/50/941066050.db2.gz VQJGPTKNXIQKJW-VQTJNVASSA-N 2 0 352.526 3.701 20 0 FHADRP CSc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000647582134 941094866 /nfs/dbraw/zinc/09/48/66/941094866.db2.gz IZQWYRRTBWTTEX-FQEVSTJZSA-N 2 0 371.550 3.503 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423390591 941095397 /nfs/dbraw/zinc/09/53/97/941095397.db2.gz OZIVDPSDIZISNS-HBNTYKKESA-N 2 0 350.356 3.810 20 0 FHADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000659251833 941133355 /nfs/dbraw/zinc/13/33/55/941133355.db2.gz LWZHOYVQIQNAJZ-LJQANCHMSA-N 2 0 369.553 3.592 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000166240120 941227912 /nfs/dbraw/zinc/22/79/12/941227912.db2.gz RAJMKXLAFYFLEE-NQIIRXRSSA-N 2 0 362.477 3.833 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1)C(C)C ZINC000659376440 941238268 /nfs/dbraw/zinc/23/82/68/941238268.db2.gz WCLWDVFABSBYIB-WIYYLYMNSA-N 2 0 359.558 3.897 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503766 941315402 /nfs/dbraw/zinc/31/54/02/941315402.db2.gz FTPKQWWUFBYDCN-NQIIRXRSSA-N 2 0 352.522 3.914 20 0 FHADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000376841159 941448100 /nfs/dbraw/zinc/44/81/00/941448100.db2.gz GKCHFCJXHMKGIE-YAJHFMINSA-N 2 0 371.525 3.914 20 0 FHADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000376841156 941448174 /nfs/dbraw/zinc/44/81/74/941448174.db2.gz GKCHFCJXHMKGIE-CPLUKWAASA-N 2 0 371.525 3.914 20 0 FHADRP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000377167907 941534803 /nfs/dbraw/zinc/53/48/03/941534803.db2.gz GYZLJNYPWFVFHU-MRXNPFEDSA-N 2 0 353.466 3.563 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000415019732 941545156 /nfs/dbraw/zinc/54/51/56/941545156.db2.gz IOJCWLYHGVLEOX-INIZCTEOSA-N 2 0 354.523 3.877 20 0 FHADRP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415025188 941548553 /nfs/dbraw/zinc/54/85/53/941548553.db2.gz PDUYWQKZXOHQPK-IYARVYRRSA-N 2 0 369.509 3.524 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415026186 941548879 /nfs/dbraw/zinc/54/88/79/941548879.db2.gz STZVIWJTDNLAAD-QWRGUYRKSA-N 2 0 365.827 3.793 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000415028704 941553024 /nfs/dbraw/zinc/55/30/24/941553024.db2.gz DDCRABHOXFWOLB-AEFFLSMTSA-N 2 0 350.466 3.658 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415030751 941554676 /nfs/dbraw/zinc/55/46/76/941554676.db2.gz GEOPUJGPTWVYHT-QFBILLFUSA-N 2 0 358.457 3.630 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415040686 941560917 /nfs/dbraw/zinc/56/09/17/941560917.db2.gz PCPZBEVNHBFWMH-QAPCUYQASA-N 2 0 356.514 3.531 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415040687 941561092 /nfs/dbraw/zinc/56/10/92/941561092.db2.gz PCPZBEVNHBFWMH-YJBOKZPZSA-N 2 0 356.514 3.531 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415040684 941561140 /nfs/dbraw/zinc/56/11/40/941561140.db2.gz PCPZBEVNHBFWMH-CRAIPNDOSA-N 2 0 356.514 3.531 20 0 FHADRP c1cc(-c2ccccc2)sc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051981 941567456 /nfs/dbraw/zinc/56/74/56/941567456.db2.gz KINHNQLFBZWPJJ-UHFFFAOYSA-N 2 0 355.551 3.721 20 0 FHADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415078647 941591015 /nfs/dbraw/zinc/59/10/15/941591015.db2.gz GPNRERJSHHJTIK-JCGIZDLHSA-N 2 0 363.343 3.991 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)ccc1OCc1ccncc1 ZINC000415092013 941601544 /nfs/dbraw/zinc/60/15/44/941601544.db2.gz RUJCBWFAYPPYDX-UWVAXJGDSA-N 2 0 369.509 3.850 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000415102296 941604521 /nfs/dbraw/zinc/60/45/21/941604521.db2.gz DJXMMQGDQHZAAR-ZBFHGGJFSA-N 2 0 373.360 3.537 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C(F)(F)F ZINC000415119535 941614873 /nfs/dbraw/zinc/61/48/73/941614873.db2.gz FPVVOEKOGAMRHU-AEFFLSMTSA-N 2 0 356.432 3.732 20 0 FHADRP Clc1cc(Cl)cc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000415126141 941615521 /nfs/dbraw/zinc/61/55/21/941615521.db2.gz TUIWINYXMLXMIG-KRWDZBQOSA-N 2 0 356.341 3.690 20 0 FHADRP CCCCCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415124775 941620561 /nfs/dbraw/zinc/62/05/61/941620561.db2.gz NHHHVMSNCZVIJT-RBBKRZOGSA-N 2 0 360.542 3.974 20 0 FHADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415134229 941621045 /nfs/dbraw/zinc/62/10/45/941621045.db2.gz OFLFGJOURIMOKK-QHCPKHFHSA-N 2 0 365.565 3.899 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415129321 941623027 /nfs/dbraw/zinc/62/30/27/941623027.db2.gz PFNGXZFTACKXNF-FGZHOGPDSA-N 2 0 360.542 3.830 20 0 FHADRP NC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415131910 941624428 /nfs/dbraw/zinc/62/44/28/941624428.db2.gz KEYMHOQYZWLLJF-PKTZIBPZSA-N 2 0 363.549 3.906 20 0 FHADRP O=C(CCCC[NH+]1CCCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000729348079 941727065 /nfs/dbraw/zinc/72/70/65/941727065.db2.gz JFHWSGADTJPIHT-UHFFFAOYSA-N 2 0 371.569 3.945 20 0 FHADRP O=C(CCCC[NH+]1CCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000729368763 941737174 /nfs/dbraw/zinc/73/71/74/941737174.db2.gz LRTHFCMKGNZJDK-OAQYLSRUSA-N 2 0 357.542 3.596 20 0 FHADRP Cc1ccccc1OCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000614469324 941744749 /nfs/dbraw/zinc/74/47/49/941744749.db2.gz DAJMMAHWEKXVQQ-UHFFFAOYSA-N 2 0 354.494 3.638 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000513233773 941790474 /nfs/dbraw/zinc/79/04/74/941790474.db2.gz OLSVCCYXIMNGTE-ICSRJNTNSA-N 2 0 365.606 3.509 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513233774 941790519 /nfs/dbraw/zinc/79/05/19/941790519.db2.gz OLSVCCYXIMNGTE-QUCCMNQESA-N 2 0 365.606 3.509 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)C[C@H](C)O1 ZINC000467194838 941898241 /nfs/dbraw/zinc/89/82/41/941898241.db2.gz DNGFAORTFVQYCZ-SVFBPWRDSA-N 2 0 364.574 3.690 20 0 FHADRP C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513408492 941902975 /nfs/dbraw/zinc/90/29/75/941902975.db2.gz NKOZPFBNPQQEQY-HZPDHXFCSA-N 2 0 361.496 3.646 20 0 FHADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713495 941919621 /nfs/dbraw/zinc/91/96/21/941919621.db2.gz XXLGIBGDJCZXOA-SFHVURJKSA-N 2 0 350.466 3.925 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(-c4ccccc4C)c3)C2)CC1 ZINC000093133042 941941333 /nfs/dbraw/zinc/94/13/33/941941333.db2.gz MSDBBWLSYSKIHP-HSZRJFAPSA-N 2 0 363.549 3.874 20 0 FHADRP CC[NH+](CC)Cc1ccccc1-c1noc([C@H]2CCn3c(c[nH+]c3C)C2)n1 ZINC000377739563 941947865 /nfs/dbraw/zinc/94/78/65/941947865.db2.gz RWWSYGHONYCKHA-INIZCTEOSA-N 2 0 365.481 3.813 20 0 FHADRP Cc1[nH]nc2ncc(C[NH2+]CC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000513495239 941962408 /nfs/dbraw/zinc/96/24/08/941962408.db2.gz NEXKQICVYQHTKM-LPHOPBHVSA-N 2 0 363.509 3.657 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)o1 ZINC000377761125 941967120 /nfs/dbraw/zinc/96/71/20/941967120.db2.gz LGWNIPJPNHSPIW-UWJYYQICSA-N 2 0 350.466 3.761 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000513510740 941982700 /nfs/dbraw/zinc/98/27/00/941982700.db2.gz FWCSFWCQHZEDIV-SJLPKXTDSA-N 2 0 358.555 3.599 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523822 941995313 /nfs/dbraw/zinc/99/53/13/941995313.db2.gz CLECJKXUHNWDNS-DENIHFKCSA-N 2 0 352.526 3.862 20 0 FHADRP CC[C@@]1(C[NH2+]C2CCN(Cc3ccncc3)CC2)OCCc2ccccc21 ZINC000377798593 941996041 /nfs/dbraw/zinc/99/60/41/941996041.db2.gz KJNHGUCBBSPQKR-QHCPKHFHSA-N 2 0 365.521 3.514 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000415789255 942053087 /nfs/dbraw/zinc/05/30/87/942053087.db2.gz NWCMDWBKADODDH-VBKZILBWSA-N 2 0 352.482 3.577 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000513627716 942053474 /nfs/dbraw/zinc/05/34/74/942053474.db2.gz XSTLQRDLPAVILM-YADHBBJMSA-N 2 0 365.521 3.704 20 0 FHADRP CCC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000377926510 942071374 /nfs/dbraw/zinc/07/13/74/942071374.db2.gz NRBZXAYIYLTENT-FPOVZHCZSA-N 2 0 371.569 3.525 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000415902063 942120975 /nfs/dbraw/zinc/12/09/75/942120975.db2.gz CIIRRMBGWFKBKZ-FQEVSTJZSA-N 2 0 372.557 3.772 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415910988 942144644 /nfs/dbraw/zinc/14/46/44/942144644.db2.gz IRNANLLHXUXNHX-ZWKOTPCHSA-N 2 0 366.509 3.533 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000415911761 942145877 /nfs/dbraw/zinc/14/58/77/942145877.db2.gz JWDYSBAXQGUOCE-IBGZPJMESA-N 2 0 358.530 3.572 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000415924390 942152606 /nfs/dbraw/zinc/15/26/06/942152606.db2.gz WKLDZMMIIFDDRJ-OXJNMPFZSA-N 2 0 354.498 3.609 20 0 FHADRP CSc1cc(Br)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000513725774 942157316 /nfs/dbraw/zinc/15/73/16/942157316.db2.gz SGNCDTYUUMEGFJ-UHFFFAOYSA-N 2 0 357.361 3.945 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)c1 ZINC000415934292 942159897 /nfs/dbraw/zinc/15/98/97/942159897.db2.gz PKBNOXPBXSFABF-UHFFFAOYSA-N 2 0 368.525 3.960 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415926917 942164051 /nfs/dbraw/zinc/16/40/51/942164051.db2.gz BYPPPNPGOAULBB-HDICACEKSA-N 2 0 360.546 3.676 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000415927842 942164780 /nfs/dbraw/zinc/16/47/80/942164780.db2.gz GFQKNASLXYIJLA-FQEVSTJZSA-N 2 0 354.498 3.611 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)c1 ZINC000415936309 942166653 /nfs/dbraw/zinc/16/66/53/942166653.db2.gz TWTIJZDZVGUBHH-CRAIPNDOSA-N 2 0 358.486 3.640 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000501991172 942167680 /nfs/dbraw/zinc/16/76/80/942167680.db2.gz VPNAINMLNNVJSW-TYPHKJRUSA-N 2 0 359.558 3.570 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000415941240 942171835 /nfs/dbraw/zinc/17/18/35/942171835.db2.gz FUXWNFYPHYVKQZ-FQEVSTJZSA-N 2 0 354.498 3.529 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415954043 942195260 /nfs/dbraw/zinc/19/52/60/942195260.db2.gz LVTBRJPUKJQTNX-YLJYHZDGSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000415955492 942197096 /nfs/dbraw/zinc/19/70/96/942197096.db2.gz NBWSOCOPFLOIOB-AZUAARDMSA-N 2 0 360.546 3.818 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415962956 942202097 /nfs/dbraw/zinc/20/20/97/942202097.db2.gz UQTGHCGJUAJQMY-LRDDRELGSA-N 2 0 372.435 3.501 20 0 FHADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415966020 942205720 /nfs/dbraw/zinc/20/57/20/942205720.db2.gz GEOPTJZUMGLAHW-UHFFFAOYSA-N 2 0 372.435 3.504 20 0 FHADRP CC(C)(CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000415970559 942216211 /nfs/dbraw/zinc/21/62/11/942216211.db2.gz LQLVKSABEBCIKC-UHFFFAOYSA-N 2 0 372.435 3.550 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000415979941 942223731 /nfs/dbraw/zinc/22/37/31/942223731.db2.gz FJXDSWFQUZBMAA-OXJNMPFZSA-N 2 0 354.498 3.527 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000415988356 942229526 /nfs/dbraw/zinc/22/95/26/942229526.db2.gz IQRDOYOVVMCYEU-UHFFFAOYSA-N 2 0 358.530 3.716 20 0 FHADRP Cc1cc(CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cc(C)n1 ZINC000420853588 942231083 /nfs/dbraw/zinc/23/10/83/942231083.db2.gz XWOFSHXJRSEXMG-UHFFFAOYSA-N 2 0 366.509 3.552 20 0 FHADRP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000280721288 942235099 /nfs/dbraw/zinc/23/50/99/942235099.db2.gz CEIAIDTWHZUVFV-QHCPKHFHSA-N 2 0 366.505 3.516 20 0 FHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416009720 942259573 /nfs/dbraw/zinc/25/95/73/942259573.db2.gz NRVSDVLAEBOZCQ-NRFANRHFSA-N 2 0 366.509 3.568 20 0 FHADRP FC(F)(F)C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420938882 942264645 /nfs/dbraw/zinc/26/46/45/942264645.db2.gz BDOURDKDASRUAP-SFHVURJKSA-N 2 0 356.432 3.683 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000416019135 942266933 /nfs/dbraw/zinc/26/69/33/942266933.db2.gz WYEWHCPUBOWXPX-JOCHJYFZSA-N 2 0 366.509 3.582 20 0 FHADRP C[N@@H+](Cc1nc2cc(F)ccc2o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501024442 942267834 /nfs/dbraw/zinc/26/78/34/942267834.db2.gz BSZNYWBYIBWJGA-UHFFFAOYSA-N 2 0 354.429 3.710 20 0 FHADRP C[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023208 942267869 /nfs/dbraw/zinc/26/78/69/942267869.db2.gz SUMZPZJEHUQSIR-UHFFFAOYSA-N 2 0 361.493 3.616 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000431856881 942285365 /nfs/dbraw/zinc/28/53/65/942285365.db2.gz KAWKBOOQJSMNJR-PZJWPPBQSA-N 2 0 363.590 3.754 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972365 942286059 /nfs/dbraw/zinc/28/60/59/942286059.db2.gz ANLUEWSXFVEBKU-SFHVURJKSA-N 2 0 363.977 3.936 20 0 FHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000501053970 942290315 /nfs/dbraw/zinc/29/03/15/942290315.db2.gz PCOMPDAYCAZPKZ-OAQYLSRUSA-N 2 0 374.573 3.544 20 0 FHADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501135970 942323730 /nfs/dbraw/zinc/32/37/30/942323730.db2.gz AOPXMLYCWMBXNV-INIZCTEOSA-N 2 0 370.459 3.853 20 0 FHADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSC2CCCCC2)CC1 ZINC000501139721 942325294 /nfs/dbraw/zinc/32/52/94/942325294.db2.gz CUERPCFBNHCDQL-OALUTQOASA-N 2 0 353.620 3.543 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000501154891 942328314 /nfs/dbraw/zinc/32/83/14/942328314.db2.gz QYKZJJOPJMXIRQ-ROUUACIJSA-N 2 0 354.604 3.874 20 0 FHADRP CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000501156258 942330139 /nfs/dbraw/zinc/33/01/39/942330139.db2.gz ZPBIHMMFXZHZQX-UHFFFAOYSA-N 2 0 358.526 3.950 20 0 FHADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000378159093 942335936 /nfs/dbraw/zinc/33/59/36/942335936.db2.gz CJLFSICLUZYJMT-HMWDHGCWSA-N 2 0 372.553 3.633 20 0 FHADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502268815 942336195 /nfs/dbraw/zinc/33/61/95/942336195.db2.gz MVDDBUVNHJONOX-JOCHJYFZSA-N 2 0 371.569 3.528 20 0 FHADRP Clc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000419695335 942354622 /nfs/dbraw/zinc/35/46/22/942354622.db2.gz RVUZIOGTOHONSO-SOUVJXGZSA-N 2 0 354.325 3.789 20 0 FHADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000502324894 942355705 /nfs/dbraw/zinc/35/57/05/942355705.db2.gz FTOFWKGIYPMPGX-MRXNPFEDSA-N 2 0 373.570 3.902 20 0 FHADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378190817 942372829 /nfs/dbraw/zinc/37/28/29/942372829.db2.gz MWSLLOVEQKAZQF-VNQPRFMTSA-N 2 0 355.979 3.509 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416155976 942405095 /nfs/dbraw/zinc/40/50/95/942405095.db2.gz FVCBWFBOBFCMAG-NRFANRHFSA-N 2 0 359.558 3.650 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000416158414 942406821 /nfs/dbraw/zinc/40/68/21/942406821.db2.gz KRDZYWHCEOHENB-QFIPXVFZSA-N 2 0 367.537 3.836 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccnn2C)c1 ZINC000549401561 942415935 /nfs/dbraw/zinc/41/59/35/942415935.db2.gz MPQZDQNWTPNUPW-HXUWFJFHSA-N 2 0 352.526 3.846 20 0 FHADRP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414822507 942420225 /nfs/dbraw/zinc/42/02/25/942420225.db2.gz AJOHVHZPJAITEC-DZGCQCFKSA-N 2 0 360.420 3.504 20 0 FHADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513713561 942430536 /nfs/dbraw/zinc/43/05/36/942430536.db2.gz QCTMBTTYFQVFMG-BDKRGJGYSA-N 2 0 371.569 3.572 20 0 FHADRP CC1CC[NH+](C2CCC(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000416182353 942446530 /nfs/dbraw/zinc/44/65/30/942446530.db2.gz VENSHJFRGSTXLB-HRTMPFAESA-N 2 0 371.569 3.839 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501417354 942458253 /nfs/dbraw/zinc/45/82/53/942458253.db2.gz CSDFMQCRJTTXQD-CTNGQTDRSA-N 2 0 353.510 3.838 20 0 FHADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513714027 942461675 /nfs/dbraw/zinc/46/16/75/942461675.db2.gz XBVDWLHZPIQLRU-IEIRFRATSA-N 2 0 366.553 3.763 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501419152 942466207 /nfs/dbraw/zinc/46/62/07/942466207.db2.gz GMEWDAVEGHJMDJ-CTNGQTDRSA-N 2 0 353.510 3.838 20 0 FHADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406588 942480010 /nfs/dbraw/zinc/48/00/10/942480010.db2.gz FODDIWDAGFNDFS-BEFAXECRSA-N 2 0 356.539 3.597 20 0 FHADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406591 942480036 /nfs/dbraw/zinc/48/00/36/942480036.db2.gz FODDIWDAGFNDFS-KXBFYZLASA-N 2 0 356.539 3.597 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000502529831 942503826 /nfs/dbraw/zinc/50/38/26/942503826.db2.gz WIEGUZUDXLOHPM-OAQYLSRUSA-N 2 0 373.585 3.962 20 0 FHADRP CN(c1ccccc1C[NH2+]CC(C)(C)OCC1CC1)C1CC[NH+](C)CC1 ZINC000414512855 942506948 /nfs/dbraw/zinc/50/69/48/942506948.db2.gz DTILNNNXUNIWIS-UHFFFAOYSA-N 2 0 359.558 3.512 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421338329 942510107 /nfs/dbraw/zinc/51/01/07/942510107.db2.gz FAWOLRBDTFSMLN-QHCPKHFHSA-N 2 0 350.506 3.811 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)c4ncccc4c3)CC2)CC1 ZINC000421370412 942521780 /nfs/dbraw/zinc/52/17/80/942521780.db2.gz IQHVUUDITMQFPR-UHFFFAOYSA-N 2 0 366.553 3.535 20 0 FHADRP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421380691 942529178 /nfs/dbraw/zinc/52/91/78/942529178.db2.gz ZDDCQXNSCJZAAD-UHFFFAOYSA-N 2 0 369.509 3.632 20 0 FHADRP Clc1ccc2cccnc2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818058 942536828 /nfs/dbraw/zinc/53/68/28/942536828.db2.gz VBQLXHCRWKPCLD-UHFFFAOYSA-N 2 0 373.928 3.823 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000416248298 942550024 /nfs/dbraw/zinc/55/00/24/942550024.db2.gz QRQNLJXSZMHJFM-RTWAWAEBSA-N 2 0 351.494 3.867 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000414843089 942570651 /nfs/dbraw/zinc/57/06/51/942570651.db2.gz JIUBDYISBQNRIB-SFHVURJKSA-N 2 0 357.464 3.816 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@@H]2CCCO2)c1 ZINC000513718168 942576891 /nfs/dbraw/zinc/57/68/91/942576891.db2.gz VZUKXCQREHOOGM-UWHLTILDSA-N 2 0 358.526 3.515 20 0 FHADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420301804 942611171 /nfs/dbraw/zinc/61/11/71/942611171.db2.gz AZPUBNFRYBIPJA-GHTZIAJQSA-N 2 0 351.494 3.736 20 0 FHADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000414525676 942615444 /nfs/dbraw/zinc/61/54/44/942615444.db2.gz MVXDGUSMAUGASA-UHFFFAOYSA-N 2 0 358.913 3.765 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338024 942622811 /nfs/dbraw/zinc/62/28/11/942622811.db2.gz NMUSXIWFYHZCLI-RLLQIKCJSA-N 2 0 363.505 3.612 20 0 FHADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420343760 942625575 /nfs/dbraw/zinc/62/55/75/942625575.db2.gz RNVWCIQLFXSOHR-NRFANRHFSA-N 2 0 363.505 3.750 20 0 FHADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343659 942626079 /nfs/dbraw/zinc/62/60/79/942626079.db2.gz ZMSALMGCFGRGBU-GOSISDBHSA-N 2 0 356.466 3.574 20 0 FHADRP c1ccc(C(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccccc2)cc1 ZINC000420345044 942626895 /nfs/dbraw/zinc/62/68/95/942626895.db2.gz UXZDYEVZCUBMND-SZPZYZBQSA-N 2 0 350.506 3.724 20 0 FHADRP C[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000414525264 942630490 /nfs/dbraw/zinc/63/04/90/942630490.db2.gz LVUFMPVHZKAIRN-QGZVFWFLSA-N 2 0 374.475 3.685 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333572 942632269 /nfs/dbraw/zinc/63/22/69/942632269.db2.gz FIZHYHPRDRTATJ-SJBKTWHCSA-N 2 0 363.505 3.688 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367899 942642565 /nfs/dbraw/zinc/64/25/65/942642565.db2.gz AIMFXHXUQUXQML-JEBQAFNWSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000420373360 942644481 /nfs/dbraw/zinc/64/44/81/942644481.db2.gz GIVUVJMRWNYIEX-FUHWJXTLSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)C1 ZINC000420386676 942649355 /nfs/dbraw/zinc/64/93/55/942649355.db2.gz JFOJPLKFDOGPOC-DOTOQJQBSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)C1 ZINC000420386677 942649742 /nfs/dbraw/zinc/64/97/42/942649742.db2.gz JFOJPLKFDOGPOC-NVXWUHKLSA-N 2 0 373.324 3.591 20 0 FHADRP CC(C)C1=[NH+]CCc2ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)cc21 ZINC001167945926 942651707 /nfs/dbraw/zinc/65/17/07/942651707.db2.gz VWUFAQCFEUSGPV-IBGZPJMESA-N 2 0 373.541 3.939 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420375721 942656031 /nfs/dbraw/zinc/65/60/31/942656031.db2.gz JILAVHPKCZVQSZ-JEBQAFNWSA-N 2 0 372.431 3.865 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420420705 942658061 /nfs/dbraw/zinc/65/80/61/942658061.db2.gz YHVNLUABSVVFOH-JVPBZIDWSA-N 2 0 353.913 3.594 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420420708 942658274 /nfs/dbraw/zinc/65/82/74/942658274.db2.gz YHVNLUABSVVFOH-ZOCIIQOWSA-N 2 0 353.913 3.594 20 0 FHADRP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000501770921 942660285 /nfs/dbraw/zinc/66/02/85/942660285.db2.gz RANSZRJPSXABPL-IBGZPJMESA-N 2 0 359.558 3.534 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000514009645 942667388 /nfs/dbraw/zinc/66/73/88/942667388.db2.gz JZWULOZUABMGCD-UHFFFAOYSA-N 2 0 374.573 3.592 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000502702508 942668706 /nfs/dbraw/zinc/66/87/06/942668706.db2.gz ZHRNLEOWBHERBO-KRWDZBQOSA-N 2 0 356.514 3.789 20 0 FHADRP COCC[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000502708587 942673675 /nfs/dbraw/zinc/67/36/75/942673675.db2.gz QREIZWAZJQTQFD-FYYLOGMGSA-N 2 0 373.585 3.692 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cnn(C2CCCC2)c1 ZINC000502711806 942676369 /nfs/dbraw/zinc/67/63/69/942676369.db2.gz LUZDQMUPCPTOAO-GOSISDBHSA-N 2 0 370.541 3.832 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000420474900 942676810 /nfs/dbraw/zinc/67/68/10/942676810.db2.gz FBEWBQIVTYTUNI-IRXDYDNUSA-N 2 0 372.513 3.655 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000501795521 942680874 /nfs/dbraw/zinc/68/08/74/942680874.db2.gz ZBXMYGZLVVSSCY-UHFFFAOYSA-N 2 0 350.572 3.979 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@@H+]1Cc1ccccc1 ZINC000893227568 942726246 /nfs/dbraw/zinc/72/62/46/942726246.db2.gz ZRPQBTSETKSHBC-WBVHZDCISA-N 2 0 356.539 3.806 20 0 FHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000513755636 942740467 /nfs/dbraw/zinc/74/04/67/942740467.db2.gz TWFIAVJEPBZCPE-KRWDZBQOSA-N 2 0 374.475 3.908 20 0 FHADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502795006 942748473 /nfs/dbraw/zinc/74/84/73/942748473.db2.gz JNKMWXBOEMRKOT-RTBURBONSA-N 2 0 374.573 3.680 20 0 FHADRP Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114779 942754882 /nfs/dbraw/zinc/75/48/82/942754882.db2.gz KEADSDNCAOXCFQ-XLIONFOSSA-N 2 0 351.494 3.698 20 0 FHADRP FC(F)Oc1c(Br)cccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847253 942758091 /nfs/dbraw/zinc/75/80/91/942758091.db2.gz VTVZGTVOASQSDD-LLVKDONJSA-N 2 0 363.246 3.530 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000182745694 942783055 /nfs/dbraw/zinc/78/30/55/942783055.db2.gz KXKXQFRASUZUBR-LJQANCHMSA-N 2 0 354.485 3.832 20 0 FHADRP Cc1nccn1CCCC[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000502866769 942813015 /nfs/dbraw/zinc/81/30/15/942813015.db2.gz GLVCNAXUSXJUEH-HXUWFJFHSA-N 2 0 355.461 3.566 20 0 FHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000421836008 942839687 /nfs/dbraw/zinc/83/96/87/942839687.db2.gz GFSQLEGECHHCOS-HNAYVOBHSA-N 2 0 374.912 3.766 20 0 FHADRP c1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414849791 942848467 /nfs/dbraw/zinc/84/84/67/942848467.db2.gz YPICYRRDOFCLQY-KRWDZBQOSA-N 2 0 353.514 3.540 20 0 FHADRP OC1(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421848218 942858715 /nfs/dbraw/zinc/85/87/15/942858715.db2.gz AEPQQUKEXMVYHA-BHDDXSALSA-N 2 0 356.554 3.962 20 0 FHADRP C[NH+]1CCC(CCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000503265122 943092731 /nfs/dbraw/zinc/09/27/31/943092731.db2.gz GKZVYYHMOKAAMV-UHFFFAOYSA-N 2 0 372.557 3.568 20 0 FHADRP C[NH+](C)[C@H]1CCOc2c(NC3CC[NH+](CCC(F)(F)F)CC3)cccc21 ZINC000435031600 943115148 /nfs/dbraw/zinc/11/51/48/943115148.db2.gz CBUWYWVWVZTKBS-KRWDZBQOSA-N 2 0 371.447 3.901 20 0 FHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000272239930 943120153 /nfs/dbraw/zinc/12/01/53/943120153.db2.gz VEPVCKVYDNGEGK-RTWAWAEBSA-N 2 0 370.541 3.540 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662285 943144684 /nfs/dbraw/zinc/14/46/84/943144684.db2.gz QXCFIYICPCNQHK-HKUYNNGSSA-N 2 0 354.542 3.788 20 0 FHADRP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000414662366 943145199 /nfs/dbraw/zinc/14/51/99/943145199.db2.gz RDMDRHKSCZTPHE-GCJKJVERSA-N 2 0 360.505 3.768 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664867 943155820 /nfs/dbraw/zinc/15/58/20/943155820.db2.gz UJSOCIREMOLDBY-HUUCEWRRSA-N 2 0 360.933 3.992 20 0 FHADRP COc1ccccc1CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000505601200 943157845 /nfs/dbraw/zinc/15/78/45/943157845.db2.gz COXGRYOTFJJNII-UHFFFAOYSA-N 2 0 353.510 3.871 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000414672493 943190786 /nfs/dbraw/zinc/19/07/86/943190786.db2.gz PNHWTENFKVMYAI-PWIZWCRZSA-N 2 0 362.477 3.610 20 0 FHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000422631203 943214344 /nfs/dbraw/zinc/21/43/44/943214344.db2.gz FGBTUEVJRHHYCI-MBOZVWFJSA-N 2 0 351.494 3.744 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OCc1ccccc1 ZINC000414675452 943214357 /nfs/dbraw/zinc/21/43/57/943214357.db2.gz QZEKNDPMFWIVOA-QGZVFWFLSA-N 2 0 354.494 3.833 20 0 FHADRP CC1(C)CCC[C@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000514694249 943226593 /nfs/dbraw/zinc/22/65/93/943226593.db2.gz YFROWLIBOJORIR-IBGZPJMESA-N 2 0 363.590 3.517 20 0 FHADRP CCS[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@@H]2SCC)COC1 ZINC000503517789 943229668 /nfs/dbraw/zinc/22/96/68/943229668.db2.gz SDDNCUIMJUIXGG-XLAORIBOSA-N 2 0 372.644 3.531 20 0 FHADRP CCCOCc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697997 943235832 /nfs/dbraw/zinc/23/58/32/943235832.db2.gz XDPDWRJRDHJDQH-JTHBVZDNSA-N 2 0 366.505 3.959 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272881265 943237599 /nfs/dbraw/zinc/23/75/99/943237599.db2.gz QPHPRADNJZAOAI-LJQANCHMSA-N 2 0 361.549 3.637 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703266 943239312 /nfs/dbraw/zinc/23/93/12/943239312.db2.gz HJEDYBVFNSHBSN-NIKGAXFTSA-N 2 0 372.310 3.762 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703573 943239363 /nfs/dbraw/zinc/23/93/63/943239363.db2.gz NJQKRYOWXGDKOX-LLVKDONJSA-N 2 0 366.278 3.644 20 0 FHADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000422707106 943241239 /nfs/dbraw/zinc/24/12/39/943241239.db2.gz GRDZUMJHGBQITF-CTNGQTDRSA-N 2 0 351.494 3.854 20 0 FHADRP COCCSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712932 943244864 /nfs/dbraw/zinc/24/48/64/943244864.db2.gz IYQRRXUJALTBEB-HUUCEWRRSA-N 2 0 359.539 3.999 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000422730688 943248999 /nfs/dbraw/zinc/24/89/99/943248999.db2.gz FFRZWLHUDPZDMS-FDDCHVKYSA-N 2 0 366.553 3.973 20 0 FHADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422715576 943254733 /nfs/dbraw/zinc/25/47/33/943254733.db2.gz SGVLOSFGGMNHOA-YTFSRNRJSA-N 2 0 372.553 3.783 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)c1ccco1 ZINC000422716147 943255126 /nfs/dbraw/zinc/25/51/26/943255126.db2.gz MZEQYSYVNUZWIV-CEXWTWQISA-N 2 0 353.466 3.542 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000511592633 943255635 /nfs/dbraw/zinc/25/56/35/943255635.db2.gz LPDMXHOBUSYOQG-UHFFFAOYSA-N 2 0 359.558 3.913 20 0 FHADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422722627 943259291 /nfs/dbraw/zinc/25/92/91/943259291.db2.gz PNHRDASDWDNLRS-YPAWHYETSA-N 2 0 359.533 3.691 20 0 FHADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422759100 943262168 /nfs/dbraw/zinc/26/21/68/943262168.db2.gz KGLXFYJGYPTXQA-KNQAVFIVSA-N 2 0 354.469 3.949 20 0 FHADRP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422757805 943262335 /nfs/dbraw/zinc/26/23/35/943262335.db2.gz MZBYGCNZSDKACO-AFXVXQJMSA-N 2 0 371.569 3.733 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000416969630 943262872 /nfs/dbraw/zinc/26/28/72/943262872.db2.gz CDYADCPZYHHTDB-GHTZIAJQSA-N 2 0 374.573 3.576 20 0 FHADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758724 943263195 /nfs/dbraw/zinc/26/31/95/943263195.db2.gz JWLPBTLYMHWJDZ-CFCCAZDESA-N 2 0 374.431 3.578 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000422738563 943265487 /nfs/dbraw/zinc/26/54/87/943265487.db2.gz JVOXSWXLHKGTKJ-FFSVYQOJSA-N 2 0 373.360 3.576 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000422748861 943270571 /nfs/dbraw/zinc/27/05/71/943270571.db2.gz WNTGUGRJUZRHPA-FUHWJXTLSA-N 2 0 352.526 3.725 20 0 FHADRP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422755473 943274064 /nfs/dbraw/zinc/27/40/64/943274064.db2.gz HYQFOJZAWSAELO-GPJHCHHRSA-N 2 0 371.569 3.733 20 0 FHADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422768905 943275467 /nfs/dbraw/zinc/27/54/67/943275467.db2.gz VCCQKZCCQHVSQM-ZHNGQKSSSA-N 2 0 357.542 3.564 20 0 FHADRP Brc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422767610 943275500 /nfs/dbraw/zinc/27/55/00/943275500.db2.gz TUNGQZDWCTYJSO-MJGOQNOKSA-N 2 0 373.294 3.795 20 0 FHADRP CCOc1ccc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OCC ZINC000422768490 943276213 /nfs/dbraw/zinc/27/62/13/943276213.db2.gz TVPBEVXTUAXPRT-HNNXBMFYSA-N 2 0 357.498 3.539 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781539 943281166 /nfs/dbraw/zinc/28/11/66/943281166.db2.gz FFVIDRUALBUZHC-VLIAUNLRSA-N 2 0 360.885 3.918 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422784857 943281571 /nfs/dbraw/zinc/28/15/71/943281571.db2.gz MNORYCUEOZPVFC-JCKWVBRZSA-N 2 0 362.420 3.599 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797154 943286682 /nfs/dbraw/zinc/28/66/82/943286682.db2.gz LEPZGNRPKQKWLY-BHIFYINESA-N 2 0 353.510 3.813 20 0 FHADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799300 943288095 /nfs/dbraw/zinc/28/80/95/943288095.db2.gz WBJGIDHIKPCWRP-IQGAEYHTSA-N 2 0 368.924 3.531 20 0 FHADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422814567 943293495 /nfs/dbraw/zinc/29/34/95/943293495.db2.gz VKWMFNHWQUHJOW-ZWQIFLOQSA-N 2 0 370.459 3.946 20 0 FHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422820174 943295145 /nfs/dbraw/zinc/29/51/45/943295145.db2.gz PGQJUXJHHINZDR-KKBFJZEXSA-N 2 0 354.416 3.953 20 0 FHADRP COc1ccc([C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422824153 943296560 /nfs/dbraw/zinc/29/65/60/943296560.db2.gz NECOCMIFOKQBIK-XZOQPEGZSA-N 2 0 371.569 3.875 20 0 FHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839021 943301008 /nfs/dbraw/zinc/30/10/08/943301008.db2.gz PMKDIUODQCEWDC-KSEOMHKRSA-N 2 0 366.530 3.863 20 0 FHADRP FC(F)(F)C1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422818133 943303199 /nfs/dbraw/zinc/30/31/99/943303199.db2.gz JHOSFLBQALEZOJ-WINAAZSOSA-N 2 0 354.416 3.953 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000422847597 943304244 /nfs/dbraw/zinc/30/42/44/943304244.db2.gz ILHQMMANGNXEMO-JQVVWYNYSA-N 2 0 350.462 3.746 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422851257 943305435 /nfs/dbraw/zinc/30/54/35/943305435.db2.gz WSEVDCJUVUXIRL-JLSDUUJJSA-N 2 0 353.913 3.594 20 0 FHADRP c1ccc(Oc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422857439 943308226 /nfs/dbraw/zinc/30/82/26/943308226.db2.gz HPWVCCIQWPPIIP-BHIFYINESA-N 2 0 352.478 3.726 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422867967 943311053 /nfs/dbraw/zinc/31/10/53/943311053.db2.gz UBFACOUYDBRAJM-PSWRPDDJSA-N 2 0 372.553 3.811 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnccc1N ZINC000422878908 943314397 /nfs/dbraw/zinc/31/43/97/943314397.db2.gz LGGJFTMSVPQOAV-OAHLLOKOSA-N 2 0 358.917 3.710 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422881051 943315730 /nfs/dbraw/zinc/31/57/30/943315730.db2.gz NERRRNUDTJIROA-LBPRGKRZSA-N 2 0 353.388 3.641 20 0 FHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813112 943316952 /nfs/dbraw/zinc/31/69/52/943316952.db2.gz XLPXNEODGRQYCL-KBPBESRZSA-N 2 0 357.311 3.841 20 0 FHADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813113 943317044 /nfs/dbraw/zinc/31/70/44/943317044.db2.gz XLPXNEODGRQYCL-KGLIPLIRSA-N 2 0 357.311 3.841 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCOCC1 ZINC000422884551 943317636 /nfs/dbraw/zinc/31/76/36/943317636.db2.gz XHIIDCLOLDIJQO-KRWDZBQOSA-N 2 0 353.510 3.556 20 0 FHADRP C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889985 943319538 /nfs/dbraw/zinc/31/95/38/943319538.db2.gz HECBQSXPRGKIAD-FGTMMUONSA-N 2 0 352.526 3.823 20 0 FHADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869438 943320656 /nfs/dbraw/zinc/32/06/56/943320656.db2.gz AAOAUPQLGLDGQP-KNQAVFIVSA-N 2 0 352.478 3.739 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422875022 943323472 /nfs/dbraw/zinc/32/34/72/943323472.db2.gz BHSPOEBOKSTSQH-BRWVUGGUSA-N 2 0 368.468 3.740 20 0 FHADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902219 943325366 /nfs/dbraw/zinc/32/53/66/943325366.db2.gz UEWVUZVFBFVJOD-IRLDBZIGSA-N 2 0 352.478 3.821 20 0 FHADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422912474 943329075 /nfs/dbraw/zinc/32/90/75/943329075.db2.gz WFXHPHPRIFRBNL-SLFFLAALSA-N 2 0 360.567 3.838 20 0 FHADRP Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c(C[NH+](C)C)c1 ZINC000505660566 943330683 /nfs/dbraw/zinc/33/06/83/943330683.db2.gz RXXKUUMJPHNEBM-UHFFFAOYSA-N 2 0 351.494 3.905 20 0 FHADRP COc1ccc(C2([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422933930 943336635 /nfs/dbraw/zinc/33/66/35/943336635.db2.gz IWTBFIFKZLNTLH-TZIWHRDSSA-N 2 0 350.462 3.530 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[NH2+]CC1 ZINC000422936086 943337140 /nfs/dbraw/zinc/33/71/40/943337140.db2.gz HYRPJMHPGQDTFA-OAHLLOKOSA-N 2 0 364.917 3.630 20 0 FHADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154120 943341111 /nfs/dbraw/zinc/34/11/11/943341111.db2.gz IZCOHVOFJXGVKP-PRTQVNTJSA-N 2 0 355.570 3.528 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422943453 943344211 /nfs/dbraw/zinc/34/42/11/943344211.db2.gz LNVBIINNBGZKCY-QRWLVFNGSA-N 2 0 353.441 3.571 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000503701860 943344777 /nfs/dbraw/zinc/34/47/77/943344777.db2.gz NJFPMILIVITJDW-RTBURBONSA-N 2 0 374.573 3.632 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000503704014 943346169 /nfs/dbraw/zinc/34/61/69/943346169.db2.gz MHHNSJFDSRAYQF-UYAOXDASSA-N 2 0 374.573 3.632 20 0 FHADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422950919 943346653 /nfs/dbraw/zinc/34/66/53/943346653.db2.gz XBIHFIURYAGCLQ-GJZGRUSLSA-N 2 0 354.498 3.684 20 0 FHADRP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422957659 943350134 /nfs/dbraw/zinc/35/01/34/943350134.db2.gz USUWDLWTOORVKU-QHAWAJNXSA-N 2 0 359.583 3.958 20 0 FHADRP COc1ccc([C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422961180 943351667 /nfs/dbraw/zinc/35/16/67/943351667.db2.gz AZFQOQPUENCJLV-URVUXULASA-N 2 0 369.509 3.508 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)CC[NH2+]CC1 ZINC000422971689 943354488 /nfs/dbraw/zinc/35/44/88/943354488.db2.gz JMSHZAOFXFHGMH-RDJZCZTQSA-N 2 0 362.514 3.513 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435374238 943355871 /nfs/dbraw/zinc/35/58/71/943355871.db2.gz XAFOIUMMWVZLJP-KSSFIOAISA-N 2 0 360.933 3.761 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc(C)c1OCc1ccccn1 ZINC000435375551 943356438 /nfs/dbraw/zinc/35/64/38/943356438.db2.gz NCEYCRKQAMTIEH-SFHVURJKSA-N 2 0 353.510 3.837 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc(C)c1OCc1ccccn1 ZINC000435375550 943356768 /nfs/dbraw/zinc/35/67/68/943356768.db2.gz NCEYCRKQAMTIEH-GOSISDBHSA-N 2 0 353.510 3.837 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422981301 943357212 /nfs/dbraw/zinc/35/72/12/943357212.db2.gz NSCCBSDUPXYQJE-OPAMFIHVSA-N 2 0 353.510 3.984 20 0 FHADRP Clc1ccc(COCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996890 943359505 /nfs/dbraw/zinc/35/95/05/943359505.db2.gz AEGOXOPZPMSMRR-FPOVZHCZSA-N 2 0 372.896 3.702 20 0 FHADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423008078 943363638 /nfs/dbraw/zinc/36/36/38/943363638.db2.gz ZHLNGQZWTJLAJJ-FGTMMUONSA-N 2 0 356.432 3.776 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423017308 943365163 /nfs/dbraw/zinc/36/51/63/943365163.db2.gz OJIXNGLSDCHYPG-SGIREYDYSA-N 2 0 363.354 3.569 20 0 FHADRP CC[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022464 943367031 /nfs/dbraw/zinc/36/70/31/943367031.db2.gz HSEPYYAAERTELD-FCLVOEFKSA-N 2 0 353.913 3.592 20 0 FHADRP CN1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423023361 943367643 /nfs/dbraw/zinc/36/76/43/943367643.db2.gz JRDQFDPKTDSUAH-ISYHKPAGSA-N 2 0 353.913 3.579 20 0 FHADRP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423047869 943368171 /nfs/dbraw/zinc/36/81/71/943368171.db2.gz HJHGWFUYHVRLNA-KEYYUXOJSA-N 2 0 357.336 3.502 20 0 FHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423047201 943368441 /nfs/dbraw/zinc/36/84/41/943368441.db2.gz GTNCRMIIVDWLDA-BHDDXSALSA-N 2 0 368.521 3.874 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OCC)c2)CC1 ZINC000435381692 943369577 /nfs/dbraw/zinc/36/95/77/943369577.db2.gz XKTAFKDHNOPWOX-UHFFFAOYSA-N 2 0 374.447 3.848 20 0 FHADRP C[C@@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423032406 943372200 /nfs/dbraw/zinc/37/22/00/943372200.db2.gz MMHDHADIWZYJLI-FZKQIMNGSA-N 2 0 356.341 3.688 20 0 FHADRP CCC(CC)(CNC(=O)N(C)CC[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000503795132 943372742 /nfs/dbraw/zinc/37/27/42/943372742.db2.gz RUHCHZVPOGFECB-IBGZPJMESA-N 2 0 374.573 3.633 20 0 FHADRP CC(C)c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713235 943373679 /nfs/dbraw/zinc/37/36/79/943373679.db2.gz UDRPPLHLYBJJSF-GHTZIAJQSA-N 2 0 357.542 3.534 20 0 FHADRP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423038697 943373955 /nfs/dbraw/zinc/37/39/55/943373955.db2.gz ZAPXKMXEEFZTHF-QHAWAJNXSA-N 2 0 363.505 3.541 20 0 FHADRP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423038696 943374124 /nfs/dbraw/zinc/37/41/24/943374124.db2.gz ZAPXKMXEEFZTHF-PWRODBHTSA-N 2 0 363.505 3.541 20 0 FHADRP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000511607398 943374690 /nfs/dbraw/zinc/37/46/90/943374690.db2.gz WEQYHKHLHJLTMY-HMMKQNKJSA-N 2 0 372.553 3.594 20 0 FHADRP CC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435392719 943378845 /nfs/dbraw/zinc/37/88/45/943378845.db2.gz HPCKOMUTBMAHSF-LJQANCHMSA-N 2 0 359.539 3.995 20 0 FHADRP FC(F)Oc1ccccc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423073942 943382468 /nfs/dbraw/zinc/38/24/68/943382468.db2.gz SYLNHIPRKQDRCH-DYESRHJHSA-N 2 0 374.431 3.676 20 0 FHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423123146 943397592 /nfs/dbraw/zinc/39/75/92/943397592.db2.gz DGMTWZINNOKRNV-QWJIHBKKSA-N 2 0 352.453 3.917 20 0 FHADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124781 943398342 /nfs/dbraw/zinc/39/83/42/943398342.db2.gz PCXCFSNLICQGFX-KTDPBYDISA-N 2 0 364.489 3.752 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423123901 943398569 /nfs/dbraw/zinc/39/85/69/943398569.db2.gz NPSGIVSEIZCIEC-XJKSGUPXSA-N 2 0 351.416 3.921 20 0 FHADRP CC(=O)Nc1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435420886 943400000 /nfs/dbraw/zinc/40/00/00/943400000.db2.gz GHPXJDGQGNIHAX-HXUWFJFHSA-N 2 0 369.534 3.851 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(F)c3ccccc32)CC[NH2+]CC1 ZINC000423130893 943400404 /nfs/dbraw/zinc/40/04/04/943400404.db2.gz SLYLPMRQWGCBCK-HOTGVXAUSA-N 2 0 372.484 3.951 20 0 FHADRP FC(F)(F)c1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423103702 943401351 /nfs/dbraw/zinc/40/13/51/943401351.db2.gz XVYPEQMOCLHGLY-XFUTXVRSSA-N 2 0 368.443 3.698 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)cc1Cl ZINC000423106248 943402020 /nfs/dbraw/zinc/40/20/20/943402020.db2.gz RFIWZVJOHOLSDY-DFEHZGFQSA-N 2 0 355.309 3.596 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112748 943405689 /nfs/dbraw/zinc/40/56/89/943405689.db2.gz KHJOKQRSRYQDDM-JQVVWYNYSA-N 2 0 368.452 3.667 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2O1 ZINC000423153425 943411096 /nfs/dbraw/zinc/41/10/96/943411096.db2.gz GMCHDTCDPQCLBY-YHFKFMBFSA-N 2 0 350.462 3.744 20 0 FHADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152918 943411807 /nfs/dbraw/zinc/41/18/07/943411807.db2.gz GLKLOYWPUIGIIH-MIZPHKNDSA-N 2 0 363.505 3.803 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155720 943412387 /nfs/dbraw/zinc/41/23/87/943412387.db2.gz LNMQHTLCDXWJOZ-IEBWSBKVSA-N 2 0 369.534 3.924 20 0 FHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423163131 943421941 /nfs/dbraw/zinc/42/19/41/943421941.db2.gz QUOXSRYUIVQQDC-PGCKSFNISA-N 2 0 364.489 3.787 20 0 FHADRP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CCC[NH3+] ZINC000423175120 943427068 /nfs/dbraw/zinc/42/70/68/943427068.db2.gz DBLKJGSEEBXWJQ-JTQLQIEISA-N 2 0 354.317 3.880 20 0 FHADRP [NH3+]CCC[NH2+][C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000423187005 943434409 /nfs/dbraw/zinc/43/44/09/943434409.db2.gz KSVIZXIKXKSOQL-ZDUSSCGKSA-N 2 0 366.328 3.888 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215902 943446407 /nfs/dbraw/zinc/44/64/07/943446407.db2.gz PDADYADARLAQSS-XJTAFEHASA-N 3 0 353.554 3.550 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423246409 943457957 /nfs/dbraw/zinc/45/79/57/943457957.db2.gz JYFVGILXAZDHRN-ZWKOTPCHSA-N 2 0 364.493 3.564 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423250433 943459594 /nfs/dbraw/zinc/45/95/94/943459594.db2.gz VAJOPQYMCZCBHM-SXSPYAJSSA-N 2 0 366.553 3.705 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256496 943461325 /nfs/dbraw/zinc/46/13/25/943461325.db2.gz FIEXNJXFFWZFOU-BBRMVZONSA-N 2 0 353.304 3.642 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c2ccccc21 ZINC000423293373 943465981 /nfs/dbraw/zinc/46/59/81/943465981.db2.gz RDEPKSOLDNVWOO-IWMITWMQSA-N 2 0 352.478 3.978 20 0 FHADRP COCCC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423319698 943474488 /nfs/dbraw/zinc/47/44/88/943474488.db2.gz DTHOCNGMSPCTQN-QGZVFWFLSA-N 2 0 369.347 3.896 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000515063752 943482512 /nfs/dbraw/zinc/48/25/12/943482512.db2.gz ZJJQNGJUMVSYEZ-PMACEKPBSA-N 2 0 360.505 3.823 20 0 FHADRP c1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167959449 943486438 /nfs/dbraw/zinc/48/64/38/943486438.db2.gz PTRNVXYWMULBNZ-NOTZXAQLSA-N 2 0 353.554 3.646 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423352153 943487903 /nfs/dbraw/zinc/48/79/03/943487903.db2.gz JWNULAOQRHLFEF-ZHRRBRCNSA-N 2 0 353.510 3.937 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423357946 943490626 /nfs/dbraw/zinc/49/06/26/943490626.db2.gz MPQNLKUUJSKTEW-MRXNPFEDSA-N 2 0 351.494 3.920 20 0 FHADRP Cc1ccc([C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000423360306 943491112 /nfs/dbraw/zinc/49/11/12/943491112.db2.gz QKEGWLRPCUYMNE-UTKZUKDTSA-N 2 0 351.494 3.582 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1Br ZINC000423365278 943492507 /nfs/dbraw/zinc/49/25/07/943492507.db2.gz AZTMHPGUQJHYRF-LBPRGKRZSA-N 2 0 361.283 3.912 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423368106 943493831 /nfs/dbraw/zinc/49/38/31/943493831.db2.gz CXXMSHSPUDYNOU-SFHVURJKSA-N 2 0 361.258 3.969 20 0 FHADRP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423371605 943494524 /nfs/dbraw/zinc/49/45/24/943494524.db2.gz HQQSGIXEZLXQMJ-AHCXZYCDSA-N 2 0 350.478 3.565 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423395360 943500557 /nfs/dbraw/zinc/50/05/57/943500557.db2.gz SPMDHLPJJNKEIG-ZIFCJYIRSA-N 2 0 364.493 3.704 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423395359 943500627 /nfs/dbraw/zinc/50/06/27/943500627.db2.gz SPMDHLPJJNKEIG-ZHALLVOQSA-N 2 0 364.493 3.704 20 0 FHADRP CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)CC2)CC1 ZINC000423422740 943505919 /nfs/dbraw/zinc/50/59/19/943505919.db2.gz DKEAUNAUTSHAIH-MPQSDHOMSA-N 2 0 357.542 3.679 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC[NH2+]CC1 ZINC000423403458 943507601 /nfs/dbraw/zinc/50/76/01/943507601.db2.gz HSEXUBVWWHHSQS-OAHLLOKOSA-N 2 0 373.324 3.813 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)cc2)CC1 ZINC000423402170 943507729 /nfs/dbraw/zinc/50/77/29/943507729.db2.gz RJDPIPRLZLLGKD-BWAGFHJFSA-N 3 0 361.549 3.967 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC[NH2+]CC1 ZINC000423409092 943509891 /nfs/dbraw/zinc/50/98/91/943509891.db2.gz PJFYFGIPSKCAOA-OAHLLOKOSA-N 2 0 359.539 3.785 20 0 FHADRP C[C@@H](c1ccc2ccccc2c1)[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743364 943514295 /nfs/dbraw/zinc/51/42/95/943514295.db2.gz ITBOGRKRXCUVIQ-ZWKOTPCHSA-N 2 0 365.521 3.563 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423431161 943517604 /nfs/dbraw/zinc/51/76/04/943517604.db2.gz LKNHLAOANKGUTI-HOTGVXAUSA-N 2 0 352.544 3.571 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423435054 943518658 /nfs/dbraw/zinc/51/86/58/943518658.db2.gz ONTMECYREDFRKM-NUJGCVRESA-N 2 0 352.494 3.942 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000423459305 943522299 /nfs/dbraw/zinc/52/22/99/943522299.db2.gz RAPMFWMTNABYDJ-UWVGGRQHSA-N 2 0 364.125 3.990 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423474869 943525843 /nfs/dbraw/zinc/52/58/43/943525843.db2.gz ZETQHAKWDDHLEG-VHENEKKESA-N 2 0 365.315 3.768 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423482442 943527033 /nfs/dbraw/zinc/52/70/33/943527033.db2.gz PBYPUMNXFGXTEZ-XJKSGUPXSA-N 2 0 353.304 3.785 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423480963 943527400 /nfs/dbraw/zinc/52/74/00/943527400.db2.gz NVQGUHQOFKGMPF-GOEBONIOSA-N 2 0 353.304 3.785 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1N(C)C ZINC000423483228 943533046 /nfs/dbraw/zinc/53/30/46/943533046.db2.gz YRCRDPBKZMYDSB-DJPFJPOOSA-N 2 0 355.501 3.936 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423495564 943536994 /nfs/dbraw/zinc/53/69/94/943536994.db2.gz UTYJPEMWVIIDJK-HBNTYKKESA-N 2 0 350.356 3.667 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423494470 943537003 /nfs/dbraw/zinc/53/70/03/943537003.db2.gz SDJWTWCRUGVGPY-JUXOCIIHSA-N 2 0 354.494 3.705 20 0 FHADRP Fc1ccccc1[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423511147 943541371 /nfs/dbraw/zinc/54/13/71/943541371.db2.gz NLAPCIQXYISFGM-OBFZPWGMSA-N 2 0 359.533 3.863 20 0 FHADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)c1 ZINC000423517370 943543320 /nfs/dbraw/zinc/54/33/20/943543320.db2.gz YEFJMPOXCLRQCA-PPXMBRMGSA-N 2 0 361.961 3.782 20 0 FHADRP CSC1(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC[NH+](C)CC1 ZINC000515190608 943546098 /nfs/dbraw/zinc/54/60/98/943546098.db2.gz KJHDCAQXDHVZBV-INIZCTEOSA-N 2 0 357.567 3.751 20 0 FHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000423526662 943547459 /nfs/dbraw/zinc/54/74/59/943547459.db2.gz ZVXILLRNSIUVPK-JLLPCOHGSA-N 3 0 363.549 3.967 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000423538102 943550843 /nfs/dbraw/zinc/55/08/43/943550843.db2.gz FHNDZMJTAUVDQV-JXSMBQFASA-N 2 0 358.917 3.873 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000423551802 943555092 /nfs/dbraw/zinc/55/50/92/943555092.db2.gz UGHHGVNDHBKHKB-XHYAQGIWSA-N 2 0 354.469 3.901 20 0 FHADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423552443 943555889 /nfs/dbraw/zinc/55/58/89/943555889.db2.gz UYBMMKIKJDLGAY-JBBSTSQOSA-N 2 0 353.279 3.553 20 0 FHADRP O=C(CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435691233 943559557 /nfs/dbraw/zinc/55/95/57/943559557.db2.gz FTVCRCJSYQBPCR-IBGZPJMESA-N 2 0 369.534 3.721 20 0 FHADRP [NH3+]CCC[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000925603990 943600021 /nfs/dbraw/zinc/60/00/21/943600021.db2.gz TVEXXGJFRZLRDR-HSZRJFAPSA-N 2 0 367.537 3.783 20 0 FHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000423967902 943651643 /nfs/dbraw/zinc/65/16/43/943651643.db2.gz TVCPHPGIEHRHAV-JOCHJYFZSA-N 2 0 365.521 3.566 20 0 FHADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000584827565 943716665 /nfs/dbraw/zinc/71/66/65/943716665.db2.gz NXONSNWUUHNEFQ-UYAOXDASSA-N 2 0 371.550 3.837 20 0 FHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587520 943735177 /nfs/dbraw/zinc/73/51/77/943735177.db2.gz SMLJOFVTTLEXFG-AZUAARDMSA-N 2 0 374.573 3.666 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@]2(C)CCC[NH2+]C2)o1 ZINC000414903959 943771035 /nfs/dbraw/zinc/77/10/35/943771035.db2.gz JEPYWMDYBFGYHC-QFIPXVFZSA-N 2 0 364.493 3.920 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414777998 943779591 /nfs/dbraw/zinc/77/95/91/943779591.db2.gz IUOPXOXIZRHQGC-CVEARBPZSA-N 2 0 352.906 3.569 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CC12CCOCC2 ZINC000414778890 943793071 /nfs/dbraw/zinc/79/30/71/943793071.db2.gz JNANTHATRQNFIQ-INIZCTEOSA-N 2 0 360.498 3.742 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424302496 943821106 /nfs/dbraw/zinc/82/11/06/943821106.db2.gz ZRGWYJZJMJWFSS-HNNXBMFYSA-N 2 0 357.523 3.783 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cccc3ccccc31)CC[NH2+]CC2 ZINC000424284696 943837184 /nfs/dbraw/zinc/83/71/84/943837184.db2.gz DPPLXYNHDNNOCC-QGZVFWFLSA-N 2 0 351.494 3.632 20 0 FHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000584873183 943837780 /nfs/dbraw/zinc/83/77/80/943837780.db2.gz ULQYIEVLGQMBMO-AZUAARDMSA-N 2 0 357.542 3.593 20 0 FHADRP CCC(CC)(CNC(=O)NCCC1=CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417702794 943839238 /nfs/dbraw/zinc/83/92/38/943839238.db2.gz LFZDFBWGBJTCQV-GOSISDBHSA-N 2 0 372.557 3.505 20 0 FHADRP c1csc([C@@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000424320993 943844089 /nfs/dbraw/zinc/84/40/89/943844089.db2.gz UCLPLSGIMIIOJA-AZUAARDMSA-N 2 0 371.550 3.517 20 0 FHADRP C(CC[NH+]1CCC([C@@H]2CCCO2)CC1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189174398 943847649 /nfs/dbraw/zinc/84/76/49/943847649.db2.gz GBJNXPNJSCYGHH-SZPZYZBQSA-N 2 0 364.574 3.549 20 0 FHADRP CC1(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC[NH2+]CC1 ZINC000414907269 943870973 /nfs/dbraw/zinc/87/09/73/943870973.db2.gz QENLGKAENLWBDJ-UHFFFAOYSA-N 2 0 352.526 3.704 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000516970681 943871515 /nfs/dbraw/zinc/87/15/15/943871515.db2.gz YYYYEGPEEJCGKZ-VXKWHMMOSA-N 2 0 366.553 3.678 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3cc(C(F)(F)F)ccc3n1C)CC[NH2+]CC2 ZINC000424375318 943885524 /nfs/dbraw/zinc/88/55/24/943885524.db2.gz JKMIBAKACAMQLP-ZDUSSCGKSA-N 2 0 366.431 3.556 20 0 FHADRP Cc1nc(COc2ccc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2)cs1 ZINC000424378812 943888042 /nfs/dbraw/zinc/88/80/42/943888042.db2.gz NWXXPQXYCIAPSZ-MRXNPFEDSA-N 2 0 371.550 3.995 20 0 FHADRP CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000417836875 943902082 /nfs/dbraw/zinc/90/20/82/943902082.db2.gz JLSJYJAATAIWNJ-UHFFFAOYSA-N 2 0 365.521 3.664 20 0 FHADRP COC(=O)[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431994 943908467 /nfs/dbraw/zinc/90/84/67/943908467.db2.gz JKJSRQFFIZSCHT-HFSMHLIXSA-N 2 0 358.526 3.576 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417864477 943914413 /nfs/dbraw/zinc/91/44/13/943914413.db2.gz BEIXZKXEJWGQNL-IRFCIJBXSA-N 2 0 374.573 3.522 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000417878749 943919939 /nfs/dbraw/zinc/91/99/39/943919939.db2.gz PCERUGYDDXFDCE-TZIWHRDSSA-N 2 0 374.573 3.625 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000414788924 943921273 /nfs/dbraw/zinc/92/12/73/943921273.db2.gz NPIFWTPAUIWTCC-QUCCMNQESA-N 2 0 360.498 3.882 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424429443 943923832 /nfs/dbraw/zinc/92/38/32/943923832.db2.gz XAKMPORTEJEMJU-QZTJIDSGSA-N 2 0 366.509 3.580 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000424429057 943925020 /nfs/dbraw/zinc/92/50/20/943925020.db2.gz VPEXRONMMSXPKZ-UZLBHIALSA-N 2 0 354.498 3.575 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000424432975 943927394 /nfs/dbraw/zinc/92/73/94/943927394.db2.gz HWSMBSVCKBWEGD-SFHVURJKSA-N 2 0 372.557 3.962 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789233 943930468 /nfs/dbraw/zinc/93/04/68/943930468.db2.gz YDRJZFNWJKDFDE-MOPGFXCFSA-N 2 0 352.526 3.817 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414790050 943936075 /nfs/dbraw/zinc/93/60/75/943936075.db2.gz ZIBQHKSYYXSUFI-AWEZNQCLSA-N 2 0 357.325 3.613 20 0 FHADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790531 943939102 /nfs/dbraw/zinc/93/91/02/943939102.db2.gz ZZIOKPACNPQNKW-LSDHHAIUSA-N 2 0 360.395 3.588 20 0 FHADRP COc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414806637 944051347 /nfs/dbraw/zinc/05/13/47/944051347.db2.gz HXBCXODQKMEBLY-CYBMUJFWSA-N 2 0 368.399 3.946 20 0 FHADRP COc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414806639 944051375 /nfs/dbraw/zinc/05/13/75/944051375.db2.gz HXBCXODQKMEBLY-ZDUSSCGKSA-N 2 0 368.399 3.946 20 0 FHADRP c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(-c5ccccn5)nc4)C[C@H]3C2)cc1 ZINC000425480857 944061617 /nfs/dbraw/zinc/06/16/17/944061617.db2.gz PLAYSTYMSUHMIM-SZPZYZBQSA-N 2 0 370.500 3.707 20 0 FHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898560 944118015 /nfs/dbraw/zinc/11/80/15/944118015.db2.gz ZHQQULOPONCKAU-SIKLNZKXSA-N 2 0 369.509 3.930 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000414816051 944129765 /nfs/dbraw/zinc/12/97/65/944129765.db2.gz ZBORFKKQDGHTKB-LBPRGKRZSA-N 2 0 361.283 3.694 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)(N2CCCCC2)CC1 ZINC000436236743 944140830 /nfs/dbraw/zinc/14/08/30/944140830.db2.gz FAKMUNXDGKBTIG-YADHBBJMSA-N 2 0 355.570 3.863 20 0 FHADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000425912463 944143551 /nfs/dbraw/zinc/14/35/51/944143551.db2.gz DEDXOLVJWDYURY-NRFANRHFSA-N 2 0 350.506 3.938 20 0 FHADRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129029 944143679 /nfs/dbraw/zinc/14/36/79/944143679.db2.gz KBCCFDPREOQUMP-LJQANCHMSA-N 2 0 358.526 3.806 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000425912124 944151327 /nfs/dbraw/zinc/15/13/27/944151327.db2.gz CNHVVXYMNOHOQX-JREAUHRESA-N 2 0 372.553 3.986 20 0 FHADRP CCCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000515756146 944184737 /nfs/dbraw/zinc/18/47/37/944184737.db2.gz NLLORXRCGFGELA-RTBURBONSA-N 2 0 359.558 3.703 20 0 FHADRP C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923969 944189640 /nfs/dbraw/zinc/18/96/40/944189640.db2.gz OXWJHQWQMQUHEV-RDTXWAMCSA-N 2 0 369.347 3.704 20 0 FHADRP [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000418137536 944191074 /nfs/dbraw/zinc/19/10/74/944191074.db2.gz DZFFZOFUEJZPML-SFTDATJTSA-N 2 0 372.557 3.563 20 0 FHADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414916692 944196512 /nfs/dbraw/zinc/19/65/12/944196512.db2.gz OURGCSUMMBWHJP-HXUWFJFHSA-N 2 0 364.468 3.910 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)c1 ZINC000439001671 944242535 /nfs/dbraw/zinc/24/25/35/944242535.db2.gz PVTNUVGVLNNOSW-MRXNPFEDSA-N 2 0 369.509 3.956 20 0 FHADRP COCC1(C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414974554 944252558 /nfs/dbraw/zinc/25/25/58/944252558.db2.gz MJSWJDKKOBDNER-HNNXBMFYSA-N 2 0 358.448 3.632 20 0 FHADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969587 944258698 /nfs/dbraw/zinc/25/86/98/944258698.db2.gz JEVDLPMUTBTYCC-UPVQGACJSA-N 2 0 369.597 3.846 20 0 FHADRP CC[NH2+]CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000414975796 944270522 /nfs/dbraw/zinc/27/05/22/944270522.db2.gz MPAMYCJTIIBIKX-UHFFFAOYSA-N 2 0 372.557 3.568 20 0 FHADRP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC(F)(F)CC1 ZINC001167975220 944282476 /nfs/dbraw/zinc/28/24/76/944282476.db2.gz MOOOCUBKGQAWLC-AYHJJNSGSA-N 2 0 356.501 3.824 20 0 FHADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475099 944287894 /nfs/dbraw/zinc/28/78/94/944287894.db2.gz SFNWXMYQYQWEOZ-IVAOSVALSA-N 2 0 363.590 3.752 20 0 FHADRP CCC1(C[NH2+]Cc2ccc(OC)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000436416721 944288474 /nfs/dbraw/zinc/28/84/74/944288474.db2.gz VRGYBAQPKJKENB-UHFFFAOYSA-N 2 0 353.510 3.872 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000550161447 944305937 /nfs/dbraw/zinc/30/59/37/944305937.db2.gz LTBIMNMEVQKJRQ-MOPGFXCFSA-N 2 0 357.542 3.593 20 0 FHADRP Cc1cc(N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000436442822 944317828 /nfs/dbraw/zinc/31/78/28/944317828.db2.gz QYNZRBHKFFKVCJ-OAHLLOKOSA-N 2 0 361.917 3.786 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000439089635 944329131 /nfs/dbraw/zinc/32/91/31/944329131.db2.gz SJEZPJRUJLVNEI-OAHLLOKOSA-N 2 0 355.482 3.566 20 0 FHADRP CCC1(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000500249067 944331263 /nfs/dbraw/zinc/33/12/63/944331263.db2.gz IYULTUGJEMPTLX-FPOVZHCZSA-N 2 0 355.570 3.894 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438101358 944341203 /nfs/dbraw/zinc/34/12/03/944341203.db2.gz FZQRXNNUQNKDPA-UHFFFAOYSA-N 2 0 361.505 3.877 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(CN2CC[C@@H]([NH3+])C[C@H]2C)on1 ZINC000518393072 944347233 /nfs/dbraw/zinc/34/72/33/944347233.db2.gz JFRKHDDKMDXTSY-GDBMZVCRSA-N 2 0 351.450 3.815 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001167752260 944354670 /nfs/dbraw/zinc/35/46/70/944354670.db2.gz SSAWGBDOLOJFQI-SFHVURJKSA-N 2 0 368.525 3.748 20 0 FHADRP [NH3+][C@@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000517560922 944391689 /nfs/dbraw/zinc/39/16/89/944391689.db2.gz CJERAQAUKOMEIR-VQTJNVASSA-N 2 0 371.912 3.683 20 0 FHADRP CCC[NH+]1CCC([NH2+]C2(Cc3ccccc3Br)CC2)CC1 ZINC000426297075 944402884 /nfs/dbraw/zinc/40/28/84/944402884.db2.gz WRIHRGVRMURWTM-UHFFFAOYSA-N 2 0 351.332 3.988 20 0 FHADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000192877285 944413221 /nfs/dbraw/zinc/41/32/21/944413221.db2.gz GZDKXYXGDYHOTL-UHFFFAOYSA-N 2 0 373.541 3.640 20 0 FHADRP Cc1ncc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000517582646 944416647 /nfs/dbraw/zinc/41/66/47/944416647.db2.gz ZQBYQEZSPLHPMG-UHFFFAOYSA-N 2 0 352.526 3.610 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000438212296 944418108 /nfs/dbraw/zinc/41/81/08/944418108.db2.gz HILXNJMAQJJPPS-IAGOWNOFSA-N 2 0 358.448 3.880 20 0 FHADRP COCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC(F)(F)CC1 ZINC001167977851 944432283 /nfs/dbraw/zinc/43/22/83/944432283.db2.gz GMKRVAGLFSOPGS-AYHJJNSGSA-N 2 0 356.501 3.966 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000426323219 944456525 /nfs/dbraw/zinc/45/65/25/944456525.db2.gz BUPAVVBZTDXJLB-HKUYNNGSSA-N 2 0 371.500 3.696 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981952 944492327 /nfs/dbraw/zinc/49/23/27/944492327.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 2 0 367.581 3.892 20 0 FHADRP O=C([C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1)N1CCCCC1 ZINC000517709642 944514293 /nfs/dbraw/zinc/51/42/93/944514293.db2.gz ORXZXRAPSPSADF-JOCHJYFZSA-N 2 0 371.569 3.986 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350340 944529105 /nfs/dbraw/zinc/52/91/05/944529105.db2.gz HMBKTVNYMBGUQD-AEFFLSMTSA-N 2 0 358.555 3.704 20 0 FHADRP c1ccc(C[NH+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964336 944534793 /nfs/dbraw/zinc/53/47/93/944534793.db2.gz PDEBARQQISFYBR-MBJRSGMTSA-N 2 0 353.554 3.504 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC000426356091 944544799 /nfs/dbraw/zinc/54/47/99/944544799.db2.gz HBHIYFATYDRWOK-JENIJYKNSA-N 2 0 360.542 3.965 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414996115 944545096 /nfs/dbraw/zinc/54/50/96/944545096.db2.gz GEKKUJJLDLHPNI-CMPLNLGQSA-N 2 0 363.246 3.658 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000414997491 944583550 /nfs/dbraw/zinc/58/35/50/944583550.db2.gz HJTKLNDJBAOCJL-XLIONFOSSA-N 2 0 361.493 3.541 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000414998144 944618263 /nfs/dbraw/zinc/61/82/63/944618263.db2.gz HXVMPRHXJKBDEV-PXNSSMCTSA-N 2 0 361.493 3.541 20 0 FHADRP CSC1(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC[NH+](C)CC1 ZINC000894795976 944624750 /nfs/dbraw/zinc/62/47/50/944624750.db2.gz WAOWVWGUHMSLSP-UHFFFAOYSA-N 2 0 355.960 3.867 20 0 FHADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000759870692 944652706 /nfs/dbraw/zinc/65/27/06/944652706.db2.gz YJPNRTJMFNHPFX-ZBQZNYHESA-N 2 0 354.897 3.755 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000500374487 944667861 /nfs/dbraw/zinc/66/78/61/944667861.db2.gz VEFRERCVKPSJRM-VBKFSLOCSA-N 2 0 370.459 3.934 20 0 FHADRP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000112341115 944687180 /nfs/dbraw/zinc/68/71/80/944687180.db2.gz IPIFKSLWLKAUFH-HNNXBMFYSA-N 2 0 367.331 3.554 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414933307 944723256 /nfs/dbraw/zinc/72/32/56/944723256.db2.gz DPOKILMKVGZBIS-QAPCUYQASA-N 2 0 352.507 3.688 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000506924583 944754972 /nfs/dbraw/zinc/75/49/72/944754972.db2.gz CDMCZQIXOUPXRH-UHFFFAOYSA-N 2 0 352.906 3.665 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000415002269 944779601 /nfs/dbraw/zinc/77/96/01/944779601.db2.gz LVCCUJGLBCREET-APWZRJJASA-N 2 0 367.493 3.555 20 0 FHADRP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000473061769 944786200 /nfs/dbraw/zinc/78/62/00/944786200.db2.gz ZKOMBKLGIUZHQE-NQIIRXRSSA-N 2 0 365.993 3.913 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000517899185 944792071 /nfs/dbraw/zinc/79/20/71/944792071.db2.gz NTAZHEXHCBQUQX-LJQANCHMSA-N 2 0 358.530 3.667 20 0 FHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000439686980 944880253 /nfs/dbraw/zinc/88/02/53/944880253.db2.gz KLVGJBYMGMCVEE-QFIPXVFZSA-N 2 0 371.569 3.525 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511671689 944898337 /nfs/dbraw/zinc/89/83/37/944898337.db2.gz HNIHPAMGISACEW-GOSISDBHSA-N 2 0 371.569 3.911 20 0 FHADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415004607 944961757 /nfs/dbraw/zinc/96/17/57/944961757.db2.gz OMDNFZHRUOGUFG-LKUPVBHCSA-N 2 0 356.485 3.748 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414945436 944973845 /nfs/dbraw/zinc/97/38/45/944973845.db2.gz IHNKWQHRXFSYML-OXQOHEQNSA-N 2 0 364.468 3.909 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518055835 944975805 /nfs/dbraw/zinc/97/58/05/944975805.db2.gz SBYWWGIPTYWYIR-PMACEKPBSA-N 2 0 371.569 3.770 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414947181 945004175 /nfs/dbraw/zinc/00/41/75/945004175.db2.gz VLJFEMYWSNRTGW-AVRDEDQJSA-N 2 0 360.505 3.935 20 0 FHADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439842659 945023017 /nfs/dbraw/zinc/02/30/17/945023017.db2.gz OSYUOVOMYLMSKH-OAQYLSRUSA-N 2 0 355.526 3.670 20 0 FHADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000439844815 945023747 /nfs/dbraw/zinc/02/37/47/945023747.db2.gz WJPYWYGSOKGQJB-TZIWHRDSSA-N 2 0 361.574 3.508 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000428320794 945376592 /nfs/dbraw/zinc/37/65/92/945376592.db2.gz OAROARNLUPFWDS-UHFFFAOYSA-N 2 0 351.494 3.647 20 0 FHADRP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427469964 945400294 /nfs/dbraw/zinc/40/02/94/945400294.db2.gz OXCGDEFGMYOBCF-FPOVZHCZSA-N 2 0 371.569 3.525 20 0 FHADRP CCO[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@H]1C ZINC000660719257 945420368 /nfs/dbraw/zinc/42/03/68/945420368.db2.gz BCVKYVDWXMHYRV-FXELSEDVSA-N 2 0 366.590 3.651 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@@H](C)CCCC[NH3+])c1OC(F)F ZINC000415011373 945471487 /nfs/dbraw/zinc/47/14/87/945471487.db2.gz HPPDRCFOQFAJBS-NSHDSACASA-N 2 0 365.262 3.966 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000281018792 945494947 /nfs/dbraw/zinc/49/49/47/945494947.db2.gz XKFSURXEFDLTQA-IKGGRYGDSA-N 2 0 350.934 3.923 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000651674054 945606179 /nfs/dbraw/zinc/60/61/79/945606179.db2.gz AJXILQWOFPZXDR-WMZHIEFXSA-N 2 0 366.553 3.671 20 0 FHADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000281513443 945673403 /nfs/dbraw/zinc/67/34/03/945673403.db2.gz XNXPVGLARHJFDA-HDICACEKSA-N 2 0 370.541 3.671 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443987277 945691695 /nfs/dbraw/zinc/69/16/95/945691695.db2.gz XFZNRSIKJOTFLW-HXUWFJFHSA-N 2 0 372.484 3.945 20 0 FHADRP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973102 945924076 /nfs/dbraw/zinc/92/40/76/945924076.db2.gz GPFFFEMMNCFNNE-XVLXNVKGSA-N 2 0 365.562 3.531 20 0 FHADRP CCCC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)CCC)cc2)CC1 ZINC000511888202 945955609 /nfs/dbraw/zinc/95/56/09/945955609.db2.gz YAXQWVKZJRRTBZ-UHFFFAOYSA-N 2 0 359.558 3.913 20 0 FHADRP CCCc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000301802631 945973657 /nfs/dbraw/zinc/97/36/57/945973657.db2.gz TYCXKTJQJYYAEB-GOSISDBHSA-N 2 0 353.510 3.736 20 0 FHADRP CCc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301857538 946006582 /nfs/dbraw/zinc/00/65/82/946006582.db2.gz RWFBFFGBGHXBFR-YOFSQIOKSA-N 3 0 364.537 3.544 20 0 FHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925095482 946045413 /nfs/dbraw/zinc/04/54/13/946045413.db2.gz UJBYIXJDKMXOJO-QZTJIDSGSA-N 2 0 362.583 3.820 20 0 FHADRP Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301985919 946066619 /nfs/dbraw/zinc/06/66/19/946066619.db2.gz LZLFSVVECKRSJK-QZTJIDSGSA-N 2 0 353.510 3.869 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000302059120 946101004 /nfs/dbraw/zinc/10/10/04/946101004.db2.gz RKAIBLIJLMKGIB-GOSISDBHSA-N 2 0 353.510 3.654 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(c2ccccc2F)CCC1 ZINC000651864406 946104584 /nfs/dbraw/zinc/10/45/84/946104584.db2.gz SDDVJDZHKSNRTA-UHFFFAOYSA-N 2 0 350.441 3.926 20 0 FHADRP CN(c1ccccc1C[NH+]1CCC([C@@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000188262373 946188469 /nfs/dbraw/zinc/18/84/69/946188469.db2.gz DUORZIYBZDXVIY-QHCPKHFHSA-N 2 0 371.569 3.608 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613799615 946227111 /nfs/dbraw/zinc/22/71/11/946227111.db2.gz RFIPTWYRZSDIDC-NRFANRHFSA-N 2 0 365.521 3.609 20 0 FHADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000103175460 946229932 /nfs/dbraw/zinc/22/99/32/946229932.db2.gz YLMQMKQUZUQSMF-UHFFFAOYSA-N 2 0 368.525 3.652 20 0 FHADRP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000103142989 946249771 /nfs/dbraw/zinc/24/97/71/946249771.db2.gz GEPJEELOGOFNEV-QGZVFWFLSA-N 2 0 370.493 3.971 20 0 FHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC000520206115 946266403 /nfs/dbraw/zinc/26/64/03/946266403.db2.gz ZGXPIROYLMINEP-QFIPXVFZSA-N 2 0 363.505 3.901 20 0 FHADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000520230410 946292482 /nfs/dbraw/zinc/29/24/82/946292482.db2.gz NSVHBTUPNCDNPQ-UHFFFAOYSA-N 2 0 364.468 3.768 20 0 FHADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746608 946307375 /nfs/dbraw/zinc/30/73/75/946307375.db2.gz SIJASJQBESPWPL-SUMWQHHRSA-N 2 0 360.299 3.918 20 0 FHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652150297 946383127 /nfs/dbraw/zinc/38/31/27/946383127.db2.gz RLVXAVCMUOIYMH-QFIPXVFZSA-N 2 0 358.574 3.566 20 0 FHADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652155166 946402347 /nfs/dbraw/zinc/40/23/47/946402347.db2.gz YBYNFNVXXPPMNT-SFHVURJKSA-N 2 0 364.530 3.875 20 0 FHADRP COC(=O)[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168067941 946428629 /nfs/dbraw/zinc/42/86/29/946428629.db2.gz VGLBHWPNHUVBSB-QWFCFKBJSA-N 2 0 358.526 3.703 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000893488456 946439394 /nfs/dbraw/zinc/43/93/94/946439394.db2.gz USLZHZHDCUPRQC-QGZVFWFLSA-N 2 0 364.411 3.620 20 0 FHADRP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359573 946485214 /nfs/dbraw/zinc/48/52/14/946485214.db2.gz RRGXITAVODVJKX-YADHBBJMSA-N 2 0 371.569 3.552 20 0 FHADRP C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475514995 946552827 /nfs/dbraw/zinc/55/28/27/946552827.db2.gz WWLQRHJVZGEUMU-FGSXEWAUSA-N 2 0 369.553 3.550 20 0 FHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317298 946570243 /nfs/dbraw/zinc/57/02/43/946570243.db2.gz WCFJBBNHZRBSEG-GBESFXJTSA-N 2 0 361.599 3.780 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192831544 946700094 /nfs/dbraw/zinc/70/00/94/946700094.db2.gz PPCAQZYFTUPYMR-DNVCBOLYSA-N 2 0 357.473 3.899 20 0 FHADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663018676 946708229 /nfs/dbraw/zinc/70/82/29/946708229.db2.gz CWHNIMUCWXICLP-UXHICEINSA-N 2 0 371.569 3.509 20 0 FHADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000475225878 946734948 /nfs/dbraw/zinc/73/49/48/946734948.db2.gz VLHLBQYDGVZYRD-TZIWHRDSSA-N 2 0 350.506 3.664 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281245 946816828 /nfs/dbraw/zinc/81/68/28/946816828.db2.gz CMMZPCZWJJAEFD-FUHWJXTLSA-N 2 0 369.475 3.991 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1)C1CC1 ZINC000112918903 946816824 /nfs/dbraw/zinc/81/68/24/946816824.db2.gz ZRBGCERKZPGKNU-UHFFFAOYSA-N 2 0 369.553 3.619 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(Cl)nc1 ZINC000179103244 946822239 /nfs/dbraw/zinc/82/22/39/946822239.db2.gz GIXFABHDWOUIOF-FXAWDEMLSA-N 2 0 372.944 3.764 20 0 FHADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584841 946831797 /nfs/dbraw/zinc/83/17/97/946831797.db2.gz IFBOHGIPUMTBPX-QGZVFWFLSA-N 2 0 356.518 3.564 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2nccc(OC)c2OC)CC1)CC(C)C ZINC000475321758 946857627 /nfs/dbraw/zinc/85/76/27/946857627.db2.gz XQHPFWDZIBNPBU-UHFFFAOYSA-N 2 0 363.546 3.679 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000824619271 946868811 /nfs/dbraw/zinc/86/88/11/946868811.db2.gz WADSSIHVARDDAP-MRXNPFEDSA-N 2 0 364.497 3.558 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCSc3ccc(Cl)cc3)C2)C1 ZINC000652345560 946872406 /nfs/dbraw/zinc/87/24/06/946872406.db2.gz FJAXOLHUVPIPIJ-QGPMSJSTSA-N 2 0 354.947 3.650 20 0 FHADRP COc1ccccc1[C@@H](O)C[N@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994733 946889570 /nfs/dbraw/zinc/88/95/70/946889570.db2.gz MNFBHUWSAGCCGY-CZJMCEMMSA-N 2 0 372.553 3.844 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000123955807 946918406 /nfs/dbraw/zinc/91/84/06/946918406.db2.gz WYSZUTCLHRYNCS-HXUWFJFHSA-N 2 0 351.494 3.647 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360959 946928272 /nfs/dbraw/zinc/92/82/72/946928272.db2.gz VCLDWXKNUONHKV-BPQIPLTHSA-N 2 0 354.947 3.793 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167995581 946966908 /nfs/dbraw/zinc/96/69/08/946966908.db2.gz JUXFNNZKFWWMOG-VSGJHWFKSA-N 2 0 367.581 3.988 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccsc4)cc3)C2)CC1 ZINC000444609036 947033510 /nfs/dbraw/zinc/03/35/10/947033510.db2.gz MOJDTTOCHGOHTD-OAQYLSRUSA-N 2 0 355.551 3.627 20 0 FHADRP Cc1noc([C@@H]2CC[N@@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001168064607 947065853 /nfs/dbraw/zinc/06/58/53/947065853.db2.gz QRIFZMCXXRUBGW-GPMSIDNRSA-N 2 0 354.498 3.609 20 0 FHADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000192918753 947106121 /nfs/dbraw/zinc/10/61/21/947106121.db2.gz LPYODSNUQXVFNY-SIKLNZKXSA-N 2 0 350.506 3.664 20 0 FHADRP COC(=O)[C@]1(C)CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065468 947114090 /nfs/dbraw/zinc/11/40/90/947114090.db2.gz WOXWWGIFOVNMRP-NPPFBWRTSA-N 2 0 358.526 3.703 20 0 FHADRP COC(=O)C[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065423 947127722 /nfs/dbraw/zinc/12/77/22/947127722.db2.gz VROWRKWIJLJBQG-GGPKGHCWSA-N 2 0 358.526 3.703 20 0 FHADRP C[C@@H]1CC([N@@H+]2CC[C@H](Oc3ccncc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065676 947181842 /nfs/dbraw/zinc/18/18/42/947181842.db2.gz XLCIHCBXVNBMTD-PWHSHALESA-N 2 0 365.521 3.976 20 0 FHADRP COCCCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246112149 947234496 /nfs/dbraw/zinc/23/44/96/947234496.db2.gz JUHUVTZMZWPAOA-UGKGYDQZSA-N 2 0 358.526 3.551 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1O ZINC000248517290 947292517 /nfs/dbraw/zinc/29/25/17/947292517.db2.gz PIBNFBCPFYFDSC-BEFAXECRSA-N 2 0 374.912 3.853 20 0 FHADRP O[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188601232 947499167 /nfs/dbraw/zinc/49/91/67/947499167.db2.gz KPWUXFHKTPFGKW-QAPCUYQASA-N 2 0 362.480 3.857 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000520451875 947505088 /nfs/dbraw/zinc/50/50/88/947505088.db2.gz ALWHVJICXIHSRB-XYPHTWIQSA-N 2 0 371.447 3.885 20 0 FHADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662249293 947671660 /nfs/dbraw/zinc/67/16/60/947671660.db2.gz SNJOFGKDZPRLRM-OAQYLSRUSA-N 2 0 352.478 3.687 20 0 FHADRP c1ccc(CCCO[C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662259290 947679791 /nfs/dbraw/zinc/67/97/91/947679791.db2.gz UNUWCBSRUQJIAG-QFIPXVFZSA-N 2 0 350.506 3.556 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265084 947683816 /nfs/dbraw/zinc/68/38/16/947683816.db2.gz WATJTVDBSVTNQF-SJLPKXTDSA-N 2 0 371.550 3.941 20 0 FHADRP c1ccc(COc2cncc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c2)cc1 ZINC000662292256 947714859 /nfs/dbraw/zinc/71/48/59/947714859.db2.gz CPAULUANHWKJFE-JOCHJYFZSA-N 2 0 365.521 3.872 20 0 FHADRP Clc1cccc(-c2noc(CC[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662293850 947715997 /nfs/dbraw/zinc/71/59/97/947715997.db2.gz TZYDTOJFRALLOH-QGZVFWFLSA-N 2 0 374.916 3.644 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296796 947722850 /nfs/dbraw/zinc/72/28/50/947722850.db2.gz NMCNJHLWMFVXSI-MAUKXSAKSA-N 2 0 372.488 3.957 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H]1CCC[NH3+] ZINC000662315801 947744300 /nfs/dbraw/zinc/74/43/00/947744300.db2.gz VGOFBENKSRIMRR-WIYYLYMNSA-N 2 0 357.542 3.652 20 0 FHADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CCO1 ZINC000662321369 947748752 /nfs/dbraw/zinc/74/87/52/947748752.db2.gz HNFAXYQELOTZGB-JOCHJYFZSA-N 2 0 356.510 3.651 20 0 FHADRP C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CCC[NH3+] ZINC000662317058 947752199 /nfs/dbraw/zinc/75/21/99/947752199.db2.gz ZEFHBJVUELYFBQ-RHSMWYFYSA-N 2 0 362.905 3.772 20 0 FHADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662356426 947768196 /nfs/dbraw/zinc/76/81/96/947768196.db2.gz QHNVEVMWQOQLHS-QFIPXVFZSA-N 2 0 363.505 3.523 20 0 FHADRP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662383403 947776607 /nfs/dbraw/zinc/77/66/07/947776607.db2.gz ZYOQVZDXQQIYCX-FQEVSTJZSA-N 2 0 369.896 3.510 20 0 FHADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344378 947811887 /nfs/dbraw/zinc/81/18/87/947811887.db2.gz SJQDFAWGJBZOLD-IBGZPJMESA-N 2 0 352.526 3.607 20 0 FHADRP OC[C@]1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCc2ccccc21 ZINC000663355737 947833739 /nfs/dbraw/zinc/83/37/39/947833739.db2.gz DLOHSXCSZUTJKQ-HSZRJFAPSA-N 2 0 350.506 3.596 20 0 FHADRP CN(C(=O)CC[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360430 947850044 /nfs/dbraw/zinc/85/00/44/947850044.db2.gz WNFTXPDZRXBIMX-LAUBAEHRSA-N 2 0 371.550 3.774 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662502346 947876218 /nfs/dbraw/zinc/87/62/18/947876218.db2.gz JYADZIBJNUQCQQ-BHDDXSALSA-N 2 0 371.569 3.511 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663463653 948049681 /nfs/dbraw/zinc/04/96/81/948049681.db2.gz ASZFHNBNVBCFEL-AOIWGVFYSA-N 2 0 360.542 3.907 20 0 FHADRP Fc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)c(F)c1 ZINC000663469967 948063978 /nfs/dbraw/zinc/06/39/78/948063978.db2.gz SEJRHKSFVLAGKN-QGZVFWFLSA-N 2 0 363.496 3.645 20 0 FHADRP Fc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)c(F)c1 ZINC000663469966 948064770 /nfs/dbraw/zinc/06/47/70/948064770.db2.gz SEJRHKSFVLAGKN-KRWDZBQOSA-N 2 0 363.496 3.645 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C)[C@H]2c1ccccc1 ZINC001167822897 948092688 /nfs/dbraw/zinc/09/26/88/948092688.db2.gz BBUHOCNPWRCAFS-FPOVZHCZSA-N 2 0 371.569 3.792 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663500478 948119039 /nfs/dbraw/zinc/11/90/39/948119039.db2.gz SXRQGNIPPADWCE-LJQANCHMSA-N 2 0 358.530 3.777 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001167825581 948120107 /nfs/dbraw/zinc/12/01/07/948120107.db2.gz KHXXADHKEFYSOY-KRWDZBQOSA-N 2 0 355.567 3.876 20 0 FHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000520500709 948188926 /nfs/dbraw/zinc/18/89/26/948188926.db2.gz XCEZHTGUDHDXLF-UXHICEINSA-N 2 0 368.924 3.769 20 0 FHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000520500711 948189054 /nfs/dbraw/zinc/18/90/54/948189054.db2.gz XCEZHTGUDHDXLF-WOJBJXKFSA-N 2 0 368.924 3.769 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)CCCO1 ZINC000432361412 948217313 /nfs/dbraw/zinc/21/73/13/948217313.db2.gz XXLLKPORBAYJBF-HXUWFJFHSA-N 2 0 368.521 3.856 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515763 948218114 /nfs/dbraw/zinc/21/81/14/948218114.db2.gz DSCIQZMNIWYOOH-MOPGFXCFSA-N 2 0 365.587 3.758 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167833586 948229725 /nfs/dbraw/zinc/22/97/25/948229725.db2.gz CSMHGSFZTLFHJI-ROUUACIJSA-N 2 0 355.567 3.876 20 0 FHADRP c1ccc(CN2C[C@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001168002777 948273111 /nfs/dbraw/zinc/27/31/11/948273111.db2.gz XXHMXAQUOJOFHU-HPAZHGAPSA-N 2 0 365.565 3.598 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001167836817 948307438 /nfs/dbraw/zinc/30/74/38/948307438.db2.gz HPXTUTHVFYEXKK-TYPHKJRUSA-N 2 0 359.558 3.621 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167840424 948336305 /nfs/dbraw/zinc/33/63/05/948336305.db2.gz GPGULTHIZIYKNL-ROUUACIJSA-N 2 0 355.567 3.828 20 0 FHADRP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168004198 948347872 /nfs/dbraw/zinc/34/78/72/948347872.db2.gz RPOYLZLFMTUTIJ-CYZFVCCVSA-N 2 0 367.581 3.988 20 0 FHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432422151 948385092 /nfs/dbraw/zinc/38/50/92/948385092.db2.gz SCPALUASJOSDFJ-AZUAARDMSA-N 2 0 350.572 3.894 20 0 FHADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000512086493 948389460 /nfs/dbraw/zinc/38/94/60/948389460.db2.gz FEIAMZBCSPQOIT-ROUUACIJSA-N 2 0 353.510 3.543 20 0 FHADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cn1 ZINC000512086492 948389744 /nfs/dbraw/zinc/38/97/44/948389744.db2.gz FEIAMZBCSPQOIT-QZTJIDSGSA-N 2 0 353.510 3.543 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842893 948397047 /nfs/dbraw/zinc/39/70/47/948397047.db2.gz ZOWWKFLRYFFTIZ-VGOFRKELSA-N 2 0 358.526 3.838 20 0 FHADRP C[C@@H]1CN(CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441096 948434145 /nfs/dbraw/zinc/43/41/45/948434145.db2.gz JONUQWJOUWUXER-RDTXWAMCSA-N 2 0 372.431 3.663 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184234898 948545281 /nfs/dbraw/zinc/54/52/81/948545281.db2.gz XYNOZNHJDNXWRW-SFHVURJKSA-N 2 0 357.542 3.628 20 0 FHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccc(Cl)cc43)cn2)CC1 ZINC000536493318 948780176 /nfs/dbraw/zinc/78/01/76/948780176.db2.gz WBVVXSUUPBKSPC-FQEVSTJZSA-N 2 0 370.928 3.654 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1)C1CC[NH+](C)CC1 ZINC000428402885 948812945 /nfs/dbraw/zinc/81/29/45/948812945.db2.gz PNPQABJUGBGJSC-QFIPXVFZSA-N 2 0 371.569 3.608 20 0 FHADRP CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000563088029 567867557 /nfs/dbraw/zinc/86/75/57/567867557.db2.gz YAOKHAXAODEGJR-SFHVURJKSA-N 2 0 370.541 3.786 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cncc(Br)c1 ZINC000186581053 567957461 /nfs/dbraw/zinc/95/74/61/567957461.db2.gz VNPHBRIOXWLVOV-UHFFFAOYSA-N 2 0 362.315 3.976 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000521436013 568016505 /nfs/dbraw/zinc/01/65/05/568016505.db2.gz JKZYFCJEJKFROK-GASCZTMLSA-N 2 0 364.415 3.527 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000604418123 568276139 /nfs/dbraw/zinc/27/61/39/568276139.db2.gz HVYGZBDZZBGYSD-MAUKXSAKSA-N 2 0 374.447 3.812 20 0 FHADRP C[C@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000604885433 568380763 /nfs/dbraw/zinc/38/07/63/568380763.db2.gz PCGGLEHPGXSMEV-OAQYLSRUSA-N 2 0 351.538 3.540 20 0 FHADRP O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc(C[NH+]2CCCC2)c1 ZINC000050028096 568663374 /nfs/dbraw/zinc/66/33/74/568663374.db2.gz AXUULWGCOLNKJV-UHFFFAOYSA-N 2 0 368.868 3.514 20 0 FHADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268260 599319313 /nfs/dbraw/zinc/31/93/13/599319313.db2.gz RSNXEZLBQICJBR-KURKYZTESA-N 2 0 368.529 3.514 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1 ZINC001164427875 718946391 /nfs/dbraw/zinc/94/63/91/718946391.db2.gz GXPVUNIRZDJRHY-FDFHNCONSA-N 2 0 362.521 3.704 20 0 FHADRP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(N(C)C)[nH+]2)CC3)cs1 ZINC001164694397 719804867 /nfs/dbraw/zinc/80/48/67/719804867.db2.gz XWHAJGDRHSLXJE-UHFFFAOYSA-N 2 0 371.554 3.548 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@@H]21 ZINC001165027182 721803279 /nfs/dbraw/zinc/80/32/79/721803279.db2.gz UDDKZBSJGHKPAS-HFSMHLIXSA-N 2 0 361.493 3.695 20 0 FHADRP Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165026843 721808840 /nfs/dbraw/zinc/80/88/40/721808840.db2.gz RQZOYQCMMCIORR-TYPHKJRUSA-N 2 0 350.510 3.830 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000579700912 927133566 /nfs/dbraw/zinc/13/35/66/927133566.db2.gz QDTYJKWYPLVMCZ-QFIPXVFZSA-N 2 0 366.509 3.630 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000583137859 937159125 /nfs/dbraw/zinc/15/91/25/937159125.db2.gz KPFMPAWZZVKRJO-ZDUSSCGKSA-N 2 0 351.288 3.698 20 0 FHADRP Brc1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643545630 927410595 /nfs/dbraw/zinc/41/05/95/927410595.db2.gz UDFANAVEMUHJEP-QZTJIDSGSA-N 2 0 365.315 3.569 20 0 FHADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000583142200 937166901 /nfs/dbraw/zinc/16/69/01/937166901.db2.gz GYUMXCCHZPYSFG-NQIIRXRSSA-N 2 0 357.542 3.586 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CSC)C2)CC1 ZINC000430199852 927940655 /nfs/dbraw/zinc/94/06/55/927940655.db2.gz VIYDUFXISXSYGJ-IBGZPJMESA-N 2 0 361.599 3.794 20 0 FHADRP CC[NH+]1CCC(C[NH+]2CCC(C(=O)c3cnc4ccccc4c3)CC2)CC1 ZINC001208603627 928231176 /nfs/dbraw/zinc/23/11/76/928231176.db2.gz GHBBQVDPWLLQLO-UHFFFAOYSA-N 2 0 365.521 3.861 20 0 FHADRP CC(C)O[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000579833288 928318405 /nfs/dbraw/zinc/31/84/05/928318405.db2.gz RXIONMAWQFJGNX-FGZHOGPDSA-N 2 0 360.542 3.685 20 0 FHADRP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)ccn1 ZINC000583218322 937246199 /nfs/dbraw/zinc/24/61/99/937246199.db2.gz UXQPPQOINOJHIK-CEXWTWQISA-N 2 0 373.447 3.683 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000069645680 928679263 /nfs/dbraw/zinc/67/92/63/928679263.db2.gz TVSZJEBVUJAXJE-NRFANRHFSA-N 2 0 371.525 3.537 20 0 FHADRP C[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131292 928920250 /nfs/dbraw/zinc/92/02/50/928920250.db2.gz QTRBPGKSMKEAJP-URVUXULASA-N 2 0 371.569 3.668 20 0 FHADRP Cc1ccc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180077815 929352712 /nfs/dbraw/zinc/35/27/12/929352712.db2.gz LIRRKDPAAVEXLA-HSZRJFAPSA-N 2 0 351.538 3.700 20 0 FHADRP CC1CC[NH+](CCCC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180133882 929391018 /nfs/dbraw/zinc/39/10/18/929391018.db2.gz MOYLUWYLRKSMNZ-OAQYLSRUSA-N 2 0 358.505 3.750 20 0 FHADRP CCCC[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180161162 929409298 /nfs/dbraw/zinc/40/92/98/929409298.db2.gz WDPKJTLROVEZPW-AKIFATBCSA-N 2 0 355.570 3.751 20 0 FHADRP Cc1ccc(C)c([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180437658 929510848 /nfs/dbraw/zinc/51/08/48/929510848.db2.gz RKBBXIHTGNLHHK-HYBUGGRVSA-N 2 0 365.565 3.866 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)[C@H](C)C2 ZINC000180472234 929520031 /nfs/dbraw/zinc/52/00/31/929520031.db2.gz HUYPZMIQRUINHM-HOYKHHGWSA-N 2 0 364.533 3.975 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000079992524 929591610 /nfs/dbraw/zinc/59/16/10/929591610.db2.gz CXJPIRPZITVWNE-CBNMVNINSA-N 2 0 357.542 3.593 20 0 FHADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070170472 929649669 /nfs/dbraw/zinc/64/96/69/929649669.db2.gz JCGMNEAGNYQWQZ-LBPRGKRZSA-N 2 0 361.711 3.542 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691276 929808062 /nfs/dbraw/zinc/80/80/62/929808062.db2.gz AVVHAMQWQTYUCV-CIAFKFPVSA-N 2 0 366.553 3.945 20 0 FHADRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2cc3ccccc3o2)n1 ZINC000683706962 929856925 /nfs/dbraw/zinc/85/69/25/929856925.db2.gz ULCRECOGXAYYKK-UHFFFAOYSA-N 2 0 364.493 3.797 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC3 ZINC000123072038 929872398 /nfs/dbraw/zinc/87/23/98/929872398.db2.gz WXVONCNRJWJDQM-KRWDZBQOSA-N 2 0 355.526 3.744 20 0 FHADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123170410 929886107 /nfs/dbraw/zinc/88/61/07/929886107.db2.gz FXQZJKVTEABBOQ-QGZVFWFLSA-N 2 0 355.526 3.888 20 0 FHADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000580022827 929914170 /nfs/dbraw/zinc/91/41/70/929914170.db2.gz UQHXONVIAVSUOA-AWEZNQCLSA-N 2 0 374.326 3.932 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000092735978 937382222 /nfs/dbraw/zinc/38/22/22/937382222.db2.gz GNHXOGWNZGBIIL-UHFFFAOYSA-N 2 0 360.542 3.941 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000150957318 937399825 /nfs/dbraw/zinc/39/98/25/937399825.db2.gz HHYXTXKLXMBJOQ-HSZRJFAPSA-N 2 0 351.538 3.586 20 0 FHADRP COc1ccc([C@@H](CC(C)C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000647289797 937401856 /nfs/dbraw/zinc/40/18/56/937401856.db2.gz KGYKBTCEYWEGTC-PGRDOPGGSA-N 2 0 360.542 3.873 20 0 FHADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000150970505 937409706 /nfs/dbraw/zinc/40/97/06/937409706.db2.gz PZCSELONPYJWMR-QHCPKHFHSA-N 2 0 369.553 3.915 20 0 FHADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000275811790 930420144 /nfs/dbraw/zinc/42/01/44/930420144.db2.gz FFIZKTWMBUTGNU-QFIPXVFZSA-N 2 0 367.541 3.715 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1O ZINC000580368191 930580686 /nfs/dbraw/zinc/58/06/86/930580686.db2.gz DJGPGSOULCAZTI-QGZVFWFLSA-N 2 0 370.493 3.726 20 0 FHADRP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001167393471 930627818 /nfs/dbraw/zinc/62/78/18/930627818.db2.gz TXJHSXZUHCXIEK-LPHOPBHVSA-N 2 0 356.514 3.626 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000125756729 930742357 /nfs/dbraw/zinc/74/23/57/930742357.db2.gz CYSADOCVQUWWKR-CJNGLKHVSA-N 2 0 355.320 3.620 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000471587718 930790787 /nfs/dbraw/zinc/79/07/87/930790787.db2.gz VXMLAPDJLKZCNE-SFYKDHMMSA-N 2 0 369.553 3.969 20 0 FHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000580565669 930862035 /nfs/dbraw/zinc/86/20/35/930862035.db2.gz LSYFLRZLLBRTTH-ZFWWWQNUSA-N 2 0 354.432 3.536 20 0 FHADRP c1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414956617 945069940 /nfs/dbraw/zinc/06/99/40/945069940.db2.gz ASLQVRKKYRNRSM-GOSISDBHSA-N 2 0 353.514 3.682 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000580768820 931123470 /nfs/dbraw/zinc/12/34/70/931123470.db2.gz HKYMFRZDIPNQFZ-INIZCTEOSA-N 2 0 351.922 3.770 20 0 FHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000580889296 931304104 /nfs/dbraw/zinc/30/41/04/931304104.db2.gz WJXOMAJKWCLYEB-UHFFFAOYSA-N 2 0 363.521 3.810 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000581079105 931544506 /nfs/dbraw/zinc/54/45/06/931544506.db2.gz CISDWBHHGSRIFA-UHFFFAOYSA-N 2 0 369.553 3.873 20 0 FHADRP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCCc2ccncc2)cc1 ZINC000656403640 931592241 /nfs/dbraw/zinc/59/22/41/931592241.db2.gz BUAXKVMBZUCQNZ-XQUALCHDSA-N 2 0 361.533 3.857 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548155924 931692636 /nfs/dbraw/zinc/69/26/36/931692636.db2.gz JWKKYRVWVHBIEF-NQIIRXRSSA-N 2 0 353.510 3.869 20 0 FHADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000548156409 931716729 /nfs/dbraw/zinc/71/67/29/931716729.db2.gz GGQSNXHMBJQWOP-AEFFLSMTSA-N 2 0 357.464 3.686 20 0 FHADRP Cc1c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000581257440 931747827 /nfs/dbraw/zinc/74/78/27/931747827.db2.gz VNCLLAHHEYRMCJ-SFHVURJKSA-N 2 0 355.530 3.801 20 0 FHADRP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581280379 931778392 /nfs/dbraw/zinc/77/83/92/931778392.db2.gz AJZOGRZJZHVFLW-SFTDATJTSA-N 2 0 372.553 3.952 20 0 FHADRP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000581280378 931778744 /nfs/dbraw/zinc/77/87/44/931778744.db2.gz AJZOGRZJZHVFLW-RTWAWAEBSA-N 2 0 372.553 3.952 20 0 FHADRP C[NH+](C)CCCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276147770 931879533 /nfs/dbraw/zinc/87/95/33/931879533.db2.gz OLOYEVRFQPZXSX-GOSISDBHSA-N 2 0 369.347 3.848 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430578433 931936128 /nfs/dbraw/zinc/93/61/28/931936128.db2.gz PFYRLTRHCWPULL-QZTJIDSGSA-N 2 0 367.537 3.727 20 0 FHADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000828019506 931939195 /nfs/dbraw/zinc/93/91/95/931939195.db2.gz ZMOLRCFLRUSHJF-UHFFFAOYSA-N 2 0 373.541 3.746 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430583281 931957356 /nfs/dbraw/zinc/95/73/56/931957356.db2.gz XJMGZMULRUZDDW-ZWKOTPCHSA-N 2 0 367.537 3.727 20 0 FHADRP CC[NH2+]CC1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000430583860 931959278 /nfs/dbraw/zinc/95/92/78/931959278.db2.gz XYZKPNSSQTUCNX-UHFFFAOYSA-N 2 0 365.521 3.541 20 0 FHADRP Cc1cc2c(s1)N(c1cnc3c(c1)C[NH2+]CC3)c1ccccc1NC2=N ZINC001167463398 932076648 /nfs/dbraw/zinc/07/66/48/932076648.db2.gz OIHOSHDJXNLHHQ-UHFFFAOYSA-N 2 0 361.474 3.917 20 0 FHADRP CC(C)OCC[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090188285 932285000 /nfs/dbraw/zinc/28/50/00/932285000.db2.gz JIIPTGOBPIISMW-JOCHJYFZSA-N 2 0 373.585 3.519 20 0 FHADRP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430617929 932312926 /nfs/dbraw/zinc/31/29/26/932312926.db2.gz QCXJEDOXBOIUCA-NRFANRHFSA-N 2 0 351.494 3.654 20 0 FHADRP c1cncc(COc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2)c1 ZINC000656784342 932419044 /nfs/dbraw/zinc/41/90/44/932419044.db2.gz ARQHZTOKNDMFKQ-JOCHJYFZSA-N 2 0 365.521 3.872 20 0 FHADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783794 932419993 /nfs/dbraw/zinc/41/99/93/932419993.db2.gz UKZMBSQTRJZUOW-HNNXBMFYSA-N 2 0 367.331 3.669 20 0 FHADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000656790983 932423800 /nfs/dbraw/zinc/42/38/00/932423800.db2.gz OVRQNSFLIRQMNW-JOCHJYFZSA-N 2 0 351.494 3.521 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000656792324 932424976 /nfs/dbraw/zinc/42/49/76/932424976.db2.gz KAYYRQKCIRFZNQ-QFIPXVFZSA-N 2 0 367.537 3.918 20 0 FHADRP c1ccc([C@H]2CC[NH2+]C[C@H]2NCc2cccc(OCc3ccccn3)c2)cc1 ZINC000656789437 932426675 /nfs/dbraw/zinc/42/66/75/932426675.db2.gz ZGRMXFUCFHSTQP-DNQXCXABSA-N 2 0 373.500 3.896 20 0 FHADRP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684394289 932528401 /nfs/dbraw/zinc/52/84/01/932528401.db2.gz GWPLRPWCSOTRBH-CEMLEFRQSA-N 2 0 352.526 3.854 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000581740559 932583339 /nfs/dbraw/zinc/58/33/39/932583339.db2.gz DFRZITCXJSNUQM-JHBZICRXSA-N 2 0 350.506 3.736 20 0 FHADRP c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000559080813 932640553 /nfs/dbraw/zinc/64/05/53/932640553.db2.gz MBGBVWXESZVELJ-ACIOBRDBSA-N 2 0 350.506 3.671 20 0 FHADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(OC2CCCCC2)n1 ZINC000581870040 932775052 /nfs/dbraw/zinc/77/50/52/932775052.db2.gz MWSVVLIWXWHDAV-UHFFFAOYSA-N 2 0 366.509 3.947 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399141709 933126274 /nfs/dbraw/zinc/12/62/74/933126274.db2.gz VIDBXEOEMPMUKT-OKZBNKHCSA-N 2 0 355.567 3.875 20 0 FHADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000430721005 933170986 /nfs/dbraw/zinc/17/09/86/933170986.db2.gz APADZUOTYUNFIB-ZHHKINOHSA-N 2 0 371.569 3.796 20 0 FHADRP C[N@H+](CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000548388886 933288658 /nfs/dbraw/zinc/28/86/58/933288658.db2.gz OSDFVNDALNQYHH-HXUWFJFHSA-N 2 0 363.590 3.756 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430945953 933461641 /nfs/dbraw/zinc/46/16/41/933461641.db2.gz YUFFHIHIINAVPP-DLBZAZTESA-N 2 0 351.494 3.740 20 0 FHADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430947719 933471299 /nfs/dbraw/zinc/47/12/99/933471299.db2.gz CGKFMMGARPIKGF-UHFFFAOYSA-N 2 0 367.493 3.739 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000430961754 933507444 /nfs/dbraw/zinc/50/74/44/933507444.db2.gz OSFBTKSZTZUQPZ-GFCCVEGCSA-N 2 0 364.287 3.663 20 0 FHADRP CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159333288 933552709 /nfs/dbraw/zinc/55/27/09/933552709.db2.gz DYLLNMUHRSYOGK-JOCHJYFZSA-N 2 0 371.569 3.842 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510796542 933735397 /nfs/dbraw/zinc/73/53/97/933735397.db2.gz JIZINIFDLYLPLX-ROUUACIJSA-N 2 0 357.542 3.521 20 0 FHADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccc1-n1cncn1 ZINC000093769282 934172104 /nfs/dbraw/zinc/17/21/04/934172104.db2.gz KTGBMWSYLVIKCC-UHFFFAOYSA-N 2 0 367.541 3.664 20 0 FHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000510948770 934220879 /nfs/dbraw/zinc/22/08/79/934220879.db2.gz IYJJHQKWROWWAH-LPHOPBHVSA-N 2 0 374.475 3.642 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000510948767 934220998 /nfs/dbraw/zinc/22/09/98/934220998.db2.gz IYJJHQKWROWWAH-APWZRJJASA-N 2 0 374.475 3.642 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cnc(-c2ccsc2)s1 ZINC000535808837 934416482 /nfs/dbraw/zinc/41/64/82/934416482.db2.gz ZFLYQJIFAVJHSB-DJIMGWMZSA-N 2 0 363.552 3.555 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cnc(-c2ccsc2)s1 ZINC000535808840 934416493 /nfs/dbraw/zinc/41/64/93/934416493.db2.gz ZFLYQJIFAVJHSB-PVAVHDDUSA-N 2 0 363.552 3.555 20 0 FHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000277087613 934487000 /nfs/dbraw/zinc/48/70/00/934487000.db2.gz GCAFTHCBJWNPMY-AZUAARDMSA-N 2 0 362.583 3.653 20 0 FHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCCc3c(Cl)cccc3Cl)C2)CC1 ZINC000684613166 934548297 /nfs/dbraw/zinc/54/82/97/934548297.db2.gz CMORUPNGYYJQOE-HNNXBMFYSA-N 2 0 370.368 3.684 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000236633968 934755873 /nfs/dbraw/zinc/75/58/73/934755873.db2.gz NRQDHNSBLSDFLW-DENIHFKCSA-N 2 0 371.569 3.561 20 0 FHADRP C[C@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236651299 934757892 /nfs/dbraw/zinc/75/78/92/934757892.db2.gz CESYIYUUCABCRS-KNQAVFIVSA-N 2 0 371.569 3.602 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236727231 934768585 /nfs/dbraw/zinc/76/85/85/934768585.db2.gz AFRCQTQXQOIBEA-NRFANRHFSA-N 2 0 353.510 3.625 20 0 FHADRP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000102781544 934892453 /nfs/dbraw/zinc/89/24/53/934892453.db2.gz DUVKJHOMAWUKHR-UHFFFAOYSA-N 2 0 368.521 3.774 20 0 FHADRP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000511028243 934960097 /nfs/dbraw/zinc/96/00/97/934960097.db2.gz GRWPDMJSTMEARH-HXUWFJFHSA-N 2 0 370.541 3.680 20 0 FHADRP c1cc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc(C[NH+]2CCCC2)c1 ZINC000657301032 935023743 /nfs/dbraw/zinc/02/37/43/935023743.db2.gz YORFCLYNJZYIJP-HSZRJFAPSA-N 2 0 366.505 3.740 20 0 FHADRP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000657300689 935024965 /nfs/dbraw/zinc/02/49/65/935024965.db2.gz SPEDYAUQFRFEHA-LJQANCHMSA-N 2 0 368.521 3.986 20 0 FHADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000439909351 945071453 /nfs/dbraw/zinc/07/14/53/945071453.db2.gz FNOPMGMFXJZGLK-FPOVZHCZSA-N 2 0 372.557 3.703 20 0 FHADRP CC(C)[C@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)N1CC[NH+](C)CC1 ZINC000657304301 935046338 /nfs/dbraw/zinc/04/63/38/935046338.db2.gz YIBGNNPICHGDLW-FQEVSTJZSA-N 2 0 357.567 3.777 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657312147 935100768 /nfs/dbraw/zinc/10/07/68/935100768.db2.gz DNIYECRHHCNNPW-HDICACEKSA-N 2 0 352.526 3.597 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000431331164 935103989 /nfs/dbraw/zinc/10/39/89/935103989.db2.gz ZMTNAUMCQRNJHU-JOCHJYFZSA-N 2 0 373.585 3.887 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657312504 935130544 /nfs/dbraw/zinc/13/05/44/935130544.db2.gz KBETUFGQEYKUIS-ZIAGYGMSSA-N 2 0 372.326 3.831 20 0 FHADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1OCc1cccs1 ZINC000563231062 935164223 /nfs/dbraw/zinc/16/42/23/935164223.db2.gz ZPGVTPQBEPEQCQ-UHFFFAOYSA-N 2 0 360.523 3.897 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000582050973 935177187 /nfs/dbraw/zinc/17/71/87/935177187.db2.gz SOCCRGYWWJMISX-VQIMIIECSA-N 2 0 372.538 3.672 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431340332 935181425 /nfs/dbraw/zinc/18/14/25/935181425.db2.gz BFMSKCYFVMFSAS-WMZOPIPTSA-N 2 0 354.922 3.809 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000519076391 945085145 /nfs/dbraw/zinc/08/51/45/945085145.db2.gz WLOPPISBSNTCGT-OAQYLSRUSA-N 2 0 361.961 3.893 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000657358194 935341066 /nfs/dbraw/zinc/34/10/66/935341066.db2.gz HLNCFHPCSMUUHP-UHFFFAOYSA-N 2 0 354.336 3.898 20 0 FHADRP CCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000657373842 935448628 /nfs/dbraw/zinc/44/86/28/935448628.db2.gz ADCYRXWRNFYOAF-UHFFFAOYSA-N 2 0 352.482 3.808 20 0 FHADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000647248692 935554444 /nfs/dbraw/zinc/55/44/44/935554444.db2.gz STBFDZWVSMFFRG-CTNGQTDRSA-N 2 0 364.468 3.651 20 0 FHADRP COc1ccc(Br)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000582365249 935571971 /nfs/dbraw/zinc/57/19/71/935571971.db2.gz OIPUFZFPLCWDHX-HNNXBMFYSA-N 2 0 367.331 3.621 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000519084218 945111120 /nfs/dbraw/zinc/11/11/20/945111120.db2.gz LQBKCEHUBWPKSD-OAQYLSRUSA-N 2 0 359.558 3.655 20 0 FHADRP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167568491 935599898 /nfs/dbraw/zinc/59/98/98/935599898.db2.gz UECBRZBCVVMZHC-PKTZIBPZSA-N 2 0 371.569 3.894 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657414892 935630417 /nfs/dbraw/zinc/63/04/17/935630417.db2.gz FWIDCIAHAZYKBW-GHTZIAJQSA-N 2 0 352.526 3.683 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000511122986 935686282 /nfs/dbraw/zinc/68/62/82/935686282.db2.gz RPINWNKCSMXESU-UHFFFAOYSA-N 2 0 359.558 3.914 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)C[C@@H](C)O1 ZINC000684953750 935898531 /nfs/dbraw/zinc/89/85/31/935898531.db2.gz KHINIZBSFBAMLS-HMFYCAOWSA-N 2 0 365.521 3.858 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000116139365 935918644 /nfs/dbraw/zinc/91/86/44/935918644.db2.gz BJBLAMYAKDOHAT-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c2ncccc12 ZINC000657535197 935972243 /nfs/dbraw/zinc/97/22/43/935972243.db2.gz IOVWHCKBCIBPII-UHFFFAOYSA-N 2 0 373.928 3.869 20 0 FHADRP c1ccc(OC2CCCC2)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535803 935975480 /nfs/dbraw/zinc/97/54/80/935975480.db2.gz RYTFPGITHLQKMW-UHFFFAOYSA-N 2 0 372.553 3.989 20 0 FHADRP Clc1ccccc1N1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657538203 935977746 /nfs/dbraw/zinc/97/77/46/935977746.db2.gz MSSMWEAADASHQT-INIZCTEOSA-N 2 0 367.884 3.537 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000075007805 936002950 /nfs/dbraw/zinc/00/29/50/936002950.db2.gz BZTHHHQMOIOQEV-UHFFFAOYSA-N 2 0 354.535 3.741 20 0 FHADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000077450377 936051402 /nfs/dbraw/zinc/05/14/02/936051402.db2.gz VEXJCIAAQRWEKO-UHFFFAOYSA-N 2 0 350.915 3.615 20 0 FHADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000077450536 936051465 /nfs/dbraw/zinc/05/14/65/936051465.db2.gz XNMYZHTYVDIVLD-UHFFFAOYSA-N 2 0 350.915 3.615 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000657586571 936065945 /nfs/dbraw/zinc/06/59/45/936065945.db2.gz KZSIOCLTZVSMLX-KRWDZBQOSA-N 2 0 368.403 3.555 20 0 FHADRP CO[C@](C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COCc1ccccc1 ZINC000657593075 936068576 /nfs/dbraw/zinc/06/85/76/936068576.db2.gz YKYPYBZNMUKUPK-HSZRJFAPSA-N 2 0 374.569 3.995 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237468539 936071978 /nfs/dbraw/zinc/07/19/78/936071978.db2.gz FIGOZKOHLJTZMU-QZTJIDSGSA-N 2 0 365.521 3.553 20 0 FHADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CCC2 ZINC000582750006 936076299 /nfs/dbraw/zinc/07/62/99/936076299.db2.gz ZJNRNTIRLRYQOA-OAQYLSRUSA-N 2 0 369.509 3.588 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000657599160 936082119 /nfs/dbraw/zinc/08/21/19/936082119.db2.gz PFOZMSHJHZGRSN-LEWJYISDSA-N 2 0 371.569 3.668 20 0 FHADRP c1csc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612242 936091895 /nfs/dbraw/zinc/09/18/95/936091895.db2.gz KDHLEJGDEYMGQY-UHFFFAOYSA-N 2 0 367.522 3.535 20 0 FHADRP Cc1ccc([C@H](C)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000628153549 936095204 /nfs/dbraw/zinc/09/52/04/936095204.db2.gz UTPCLSWOVBDJGT-LJQANCHMSA-N 2 0 373.585 3.515 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000237667598 936195662 /nfs/dbraw/zinc/19/56/62/936195662.db2.gz VJHYCRNUXPKLAH-UXHICEINSA-N 2 0 371.569 3.705 20 0 FHADRP C[NH+](C)Cc1ccc(Br)c(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626940 936215927 /nfs/dbraw/zinc/21/59/27/936215927.db2.gz YCYVUNOLRDIYBC-UHFFFAOYSA-N 2 0 368.363 3.995 20 0 FHADRP CC1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]CC1 ZINC000414900128 945153533 /nfs/dbraw/zinc/15/35/33/945153533.db2.gz HRTKYVRDJSKFGU-UHFFFAOYSA-N 2 0 363.246 3.530 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414962933 945156831 /nfs/dbraw/zinc/15/68/31/945156831.db2.gz TVNPUNPKNAJYSC-BEFAXECRSA-N 2 0 358.457 3.501 20 0 FHADRP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150983401 938250668 /nfs/dbraw/zinc/25/06/68/938250668.db2.gz SMRLLCHZMYYMCF-OAQYLSRUSA-N 2 0 371.594 3.956 20 0 FHADRP Fc1cccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]2CCCO2)c1 ZINC000583446056 938256363 /nfs/dbraw/zinc/25/63/63/938256363.db2.gz MGPGVUIQTMOSRP-JOCHJYFZSA-N 2 0 354.469 3.653 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000650705979 938284609 /nfs/dbraw/zinc/28/46/09/938284609.db2.gz BKESZVPBYVNSMC-JQVVWYNYSA-N 2 0 358.526 3.726 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707175 938289100 /nfs/dbraw/zinc/28/91/00/938289100.db2.gz ZZQWVGHWNVABSF-CKEIUWERSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707432 938289536 /nfs/dbraw/zinc/28/95/36/938289536.db2.gz GCWUBKWUFUJZQN-QMTMVMCOSA-N 2 0 354.897 3.630 20 0 FHADRP CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000261843464 938304972 /nfs/dbraw/zinc/30/49/72/938304972.db2.gz IWZGZJXBKIJPCZ-ZDUSSCGKSA-N 2 0 358.313 3.644 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@H]2CCc3ccccc3N2)cc1 ZINC000650720185 938308572 /nfs/dbraw/zinc/30/85/72/938308572.db2.gz HNCJOPSIUXTXRG-HXUWFJFHSA-N 2 0 353.510 3.534 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722646 938309762 /nfs/dbraw/zinc/30/97/62/938309762.db2.gz YORVMGLBBIDULB-NEWSRXKRSA-N 2 0 357.523 3.671 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722645 938309785 /nfs/dbraw/zinc/30/97/85/938309785.db2.gz YORVMGLBBIDULB-BHIYHBOVSA-N 2 0 357.523 3.671 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723254 938310355 /nfs/dbraw/zinc/31/03/55/938310355.db2.gz KIHNCRXRNMPLSM-PVAVHDDUSA-N 2 0 363.552 3.732 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723773 938310914 /nfs/dbraw/zinc/31/09/14/938310914.db2.gz TVVQBHLDSZPKGD-RCCFBDPRSA-N 2 0 356.432 3.875 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415007887 945166084 /nfs/dbraw/zinc/16/60/84/945166084.db2.gz RVRZGFYASDCQPS-MAUKXSAKSA-N 2 0 366.431 3.557 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000246281318 938354663 /nfs/dbraw/zinc/35/46/63/938354663.db2.gz MONLWCUXGWQCLN-IRFPFTSISA-N 2 0 369.553 3.598 20 0 FHADRP CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000583690179 938359280 /nfs/dbraw/zinc/35/92/80/938359280.db2.gz HNUJANCZIHRYBA-RTWAWAEBSA-N 2 0 365.521 3.666 20 0 FHADRP CC[C@H](OCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000650741692 938362810 /nfs/dbraw/zinc/36/28/10/938362810.db2.gz JQGZJGOIIZJVED-QNWVGRARSA-N 2 0 366.505 4.000 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000278405034 938390706 /nfs/dbraw/zinc/39/07/06/938390706.db2.gz HCKOKXBVLUQLRC-OAHLLOKOSA-N 2 0 363.933 3.830 20 0 FHADRP Brc1cc2cccnc2c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000583756350 938391882 /nfs/dbraw/zinc/39/18/82/938391882.db2.gz ZXDDPEGFDOMNLR-SFHVURJKSA-N 2 0 374.326 3.961 20 0 FHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000685202289 938407064 /nfs/dbraw/zinc/40/70/64/938407064.db2.gz WLXXPGHTUGFJMK-UHFFFAOYSA-N 2 0 363.546 3.850 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c(F)c1 ZINC000650754342 938407830 /nfs/dbraw/zinc/40/78/30/938407830.db2.gz GVTXKQLBZIXAGX-INIZCTEOSA-N 2 0 353.363 3.865 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566701283 938418177 /nfs/dbraw/zinc/41/81/77/938418177.db2.gz OGFYKDVGDKBRTQ-STQMWFEESA-N 2 0 355.295 3.593 20 0 FHADRP CS[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000536131292 938418457 /nfs/dbraw/zinc/41/84/57/938418457.db2.gz ARNVYOXKSRKEBL-HZPDHXFCSA-N 2 0 367.990 3.856 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000278442643 938431336 /nfs/dbraw/zinc/43/13/36/938431336.db2.gz KPGYCADDESXSII-UADZTWIMSA-N 3 0 353.554 3.646 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000536158661 938478301 /nfs/dbraw/zinc/47/83/01/938478301.db2.gz PKOPIGNYCWQOTP-RXVVDRJESA-N 2 0 362.533 3.875 20 0 FHADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812435 938512148 /nfs/dbraw/zinc/51/21/48/938512148.db2.gz BRWOICORBYQUIV-UHFFFAOYSA-N 2 0 358.555 3.793 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812922 938527258 /nfs/dbraw/zinc/52/72/58/938527258.db2.gz XEYZRYRDUNFSDB-UHFFFAOYSA-N 2 0 366.553 3.760 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000584012309 938543049 /nfs/dbraw/zinc/54/30/49/938543049.db2.gz LIEIWUXUUOFBGQ-JUXOCIIHSA-N 2 0 372.940 3.916 20 0 FHADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000584047861 938568177 /nfs/dbraw/zinc/56/81/77/938568177.db2.gz JVIBCRFSMPPUBX-AEFFLSMTSA-N 2 0 373.932 3.741 20 0 FHADRP CC[NH+]1CCC(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000584093931 938599360 /nfs/dbraw/zinc/59/93/60/938599360.db2.gz VYXFTMMKUGIABH-UHFFFAOYSA-N 2 0 362.315 3.819 20 0 FHADRP CCOC1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000657829374 938607328 /nfs/dbraw/zinc/60/73/28/938607328.db2.gz ZGOOZUKMJGSXHE-HTAFUYNTSA-N 2 0 360.542 3.733 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000657836726 938644270 /nfs/dbraw/zinc/64/42/70/938644270.db2.gz VNAVFWHZLVAPBQ-FQEVSTJZSA-N 2 0 351.966 3.668 20 0 FHADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657836482 938646952 /nfs/dbraw/zinc/64/69/52/938646952.db2.gz UTCUYCNIDMMGCD-WBVHZDCISA-N 2 0 351.332 3.844 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836880 938659916 /nfs/dbraw/zinc/65/99/16/938659916.db2.gz XATMJGQNOQGKPV-WMZOPIPTSA-N 2 0 353.501 3.635 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000151785145 938673995 /nfs/dbraw/zinc/67/39/95/938673995.db2.gz NINBATRQEQKEOS-IBGZPJMESA-N 2 0 368.521 3.621 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000657837962 938681303 /nfs/dbraw/zinc/68/13/03/938681303.db2.gz LBFCAVBRLFHSFC-XXBNENTESA-N 2 0 374.569 3.840 20 0 FHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151817739 938687600 /nfs/dbraw/zinc/68/76/00/938687600.db2.gz MIDHLENOUQVQEY-GOSISDBHSA-N 2 0 368.521 3.717 20 0 FHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)CC1 ZINC000584338376 938688959 /nfs/dbraw/zinc/68/89/59/938688959.db2.gz ICWGGDWOEIRDLK-OAQYLSRUSA-N 2 0 369.553 3.586 20 0 FHADRP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000081365880 938785508 /nfs/dbraw/zinc/78/55/08/938785508.db2.gz RWTLUQZLIFKXRD-NRFANRHFSA-N 2 0 364.493 3.916 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000584385327 938793371 /nfs/dbraw/zinc/79/33/71/938793371.db2.gz MPMJXQJTVRZHLJ-UHFFFAOYSA-N 2 0 358.526 3.743 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000089673940 938862535 /nfs/dbraw/zinc/86/25/35/938862535.db2.gz WLQBDZLFFDYJFG-APWZRJJASA-N 2 0 372.532 3.888 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000090585516 938880406 /nfs/dbraw/zinc/88/04/06/938880406.db2.gz ZWJLMCPJHSHHIV-DLBZAZTESA-N 2 0 357.542 3.935 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000657860897 938885420 /nfs/dbraw/zinc/88/54/20/938885420.db2.gz COOQVMWWUQBZQW-HSZRJFAPSA-N 2 0 374.569 3.984 20 0 FHADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cscc2C(F)(F)F)CC1 ZINC000584442206 938885575 /nfs/dbraw/zinc/88/55/75/938885575.db2.gz ZMXXXIGVUZXCFE-UHFFFAOYSA-N 2 0 356.417 3.526 20 0 FHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc(C)c1O ZINC000507407957 945213414 /nfs/dbraw/zinc/21/34/14/945213414.db2.gz UIBHEWJEQYIYLA-RTBURBONSA-N 2 0 368.521 3.908 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091336533 938900274 /nfs/dbraw/zinc/90/02/74/938900274.db2.gz XBVNBKQCAUSGIP-RTBURBONSA-N 2 0 370.459 3.983 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cn1 ZINC000092737874 938918904 /nfs/dbraw/zinc/91/89/04/938918904.db2.gz XUTRDEUGNFIUNK-BBWFWOEESA-N 2 0 357.473 3.681 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3OC3CC3)CC2)C[C@H](C)O1 ZINC000685417572 938985092 /nfs/dbraw/zinc/98/50/92/938985092.db2.gz VLJQXQZDYDDVBS-HDICACEKSA-N 2 0 358.526 3.549 20 0 FHADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000685422072 938985592 /nfs/dbraw/zinc/98/55/92/938985592.db2.gz MWHSJHQWJJQLEF-HNNXBMFYSA-N 2 0 358.448 3.899 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCc2cc(O)ccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685429413 938986533 /nfs/dbraw/zinc/98/65/33/938986533.db2.gz JPPLRZNTFLTLDA-MTNREXPMSA-N 2 0 350.506 3.750 20 0 FHADRP c1cc(C2CC[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)ccn1 ZINC000685452443 938988105 /nfs/dbraw/zinc/98/81/05/938988105.db2.gz ARXRQVZTZOMKGP-UHFFFAOYSA-N 2 0 365.521 3.936 20 0 FHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(F)cccc3Br)C2)CC1 ZINC000685463160 938988717 /nfs/dbraw/zinc/98/87/17/938988717.db2.gz UBXJCTFSINTLQC-CQSZACIVSA-N 2 0 355.295 3.752 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000431601426 938994900 /nfs/dbraw/zinc/99/49/00/938994900.db2.gz SWFWRTQTFBAWSP-QFIPXVFZSA-N 2 0 365.521 3.592 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657969712 939013509 /nfs/dbraw/zinc/01/35/09/939013509.db2.gz UDZAHVXPPNAPBB-OXQOHEQNSA-N 2 0 365.477 3.635 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658004352 939018504 /nfs/dbraw/zinc/01/85/04/939018504.db2.gz YLGLGWYNWOZEEH-SFHVURJKSA-N 2 0 371.491 3.642 20 0 FHADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023064 939019157 /nfs/dbraw/zinc/01/91/57/939019157.db2.gz IWVOLJKASZFJOQ-SFTDATJTSA-N 2 0 374.594 3.791 20 0 FHADRP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023061 939019184 /nfs/dbraw/zinc/01/91/84/939019184.db2.gz IWVOLJKASZFJOQ-LEWJYISDSA-N 2 0 374.594 3.791 20 0 FHADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066480 939021504 /nfs/dbraw/zinc/02/15/04/939021504.db2.gz AXOVRFDQAKKSBH-OAQYLSRUSA-N 2 0 358.526 3.689 20 0 FHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070864 939021822 /nfs/dbraw/zinc/02/18/22/939021822.db2.gz SNLFATSUKUQMTE-FQEVSTJZSA-N 2 0 362.489 3.520 20 0 FHADRP CSc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070358 939021923 /nfs/dbraw/zinc/02/19/23/939021923.db2.gz OCSQYHQZYTVJKG-QGZVFWFLSA-N 2 0 362.583 3.820 20 0 FHADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071666 939021940 /nfs/dbraw/zinc/02/19/40/939021940.db2.gz XPMKIGJJNFKIFI-INIZCTEOSA-N 2 0 366.496 3.767 20 0 FHADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658089625 939022160 /nfs/dbraw/zinc/02/21/60/939022160.db2.gz AKAWKWLVRYJCQD-RDJZCZTQSA-N 2 0 365.949 3.539 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(-c2ccncc2)c1 ZINC000658110059 939023875 /nfs/dbraw/zinc/02/38/75/939023875.db2.gz ZOJBRBCJQPQNQM-RBUKOAKNSA-N 2 0 354.542 3.671 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000658136731 939030876 /nfs/dbraw/zinc/03/08/76/939030876.db2.gz FAHCWEMKQMNHMM-IRLDBZIGSA-N 2 0 353.510 3.525 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142794 939035645 /nfs/dbraw/zinc/03/56/45/939035645.db2.gz WMZJVIIGHDVEQC-GMAHTHKFSA-N 2 0 350.506 3.811 20 0 FHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc(C)c1F ZINC000658143122 939036119 /nfs/dbraw/zinc/03/61/19/939036119.db2.gz WRKQNIRXRDPZKT-UWJYYQICSA-N 2 0 356.485 3.860 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143458 939036534 /nfs/dbraw/zinc/03/65/34/939036534.db2.gz YJUWEDRRAVZIAR-NQIIRXRSSA-N 2 0 360.448 3.772 20 0 FHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143489 939036624 /nfs/dbraw/zinc/03/66/24/939036624.db2.gz YYLWTVSPXYRHBA-ICPLQIHGSA-N 2 0 368.496 3.806 20 0 FHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138184 939042315 /nfs/dbraw/zinc/04/23/15/939042315.db2.gz NBAMUEHAGXGIGX-KXBFYZLASA-N 2 0 374.912 3.766 20 0 FHADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc3)nc12 ZINC000415008698 945223422 /nfs/dbraw/zinc/22/34/22/945223422.db2.gz DKEOFRWZBKUINH-SFHVURJKSA-N 2 0 366.509 3.829 20 0 FHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163945 939052175 /nfs/dbraw/zinc/05/21/75/939052175.db2.gz CAXBUYUSLJOIHZ-HXUWFJFHSA-N 2 0 369.484 3.718 20 0 FHADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163732 939052261 /nfs/dbraw/zinc/05/22/61/939052261.db2.gz AJRBLZMCSGNIIZ-PGRDOPGGSA-N 2 0 353.510 3.659 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000658165296 939053122 /nfs/dbraw/zinc/05/31/22/939053122.db2.gz IIDANGBSGGSCTP-QGZVFWFLSA-N 2 0 351.494 3.675 20 0 FHADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658165324 939053664 /nfs/dbraw/zinc/05/36/64/939053664.db2.gz ILTRZGCBOVEZCV-RTWAWAEBSA-N 2 0 359.558 3.723 20 0 FHADRP Fc1cncc([C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CC2)c1 ZINC000658166823 939053733 /nfs/dbraw/zinc/05/37/33/939053733.db2.gz PKDZJWPBRVPRHS-OAQYLSRUSA-N 2 0 354.473 3.569 20 0 FHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167434 939055115 /nfs/dbraw/zinc/05/51/15/939055115.db2.gz SEBLDJWXGXSRBN-HSZRJFAPSA-N 2 0 365.521 3.969 20 0 FHADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168892 939055594 /nfs/dbraw/zinc/05/55/94/939055594.db2.gz ZYKWMPMATPCUJE-JOCHJYFZSA-N 2 0 367.562 3.914 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237702 939079178 /nfs/dbraw/zinc/07/91/78/939079178.db2.gz YXSOHXRLQMDMMK-HQMSXXKGSA-N 2 0 358.574 3.764 20 0 FHADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316896 939109867 /nfs/dbraw/zinc/10/98/67/939109867.db2.gz HZJNPHGFUYDNCP-FGZHOGPDSA-N 2 0 366.553 3.800 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319976 939110336 /nfs/dbraw/zinc/11/03/36/939110336.db2.gz KUAZZBGTDSIHRK-RTWAWAEBSA-N 2 0 352.526 3.763 20 0 FHADRP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319978 939110526 /nfs/dbraw/zinc/11/05/26/939110526.db2.gz KUAZZBGTDSIHRK-SFTDATJTSA-N 2 0 352.526 3.763 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc23)[C@@H](C)C1 ZINC000658318863 939110633 /nfs/dbraw/zinc/11/06/33/939110633.db2.gz TURNBKNTDTUTIY-WMZOPIPTSA-N 2 0 361.555 3.565 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H](CNC3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319792 939111143 /nfs/dbraw/zinc/11/11/43/939111143.db2.gz IWGIGDAVYDCDTI-JOCHJYFZSA-N 2 0 367.581 3.753 20 0 FHADRP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320431 939111388 /nfs/dbraw/zinc/11/13/88/939111388.db2.gz XUNGJNDJXBQMFS-FPOVZHCZSA-N 2 0 352.526 3.554 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCC(F)(F)CC2)CC1 ZINC000658321559 939112010 /nfs/dbraw/zinc/11/20/10/939112010.db2.gz UKJNKYQBSSUXBO-KRWDZBQOSA-N 2 0 366.496 3.612 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000507426097 945228282 /nfs/dbraw/zinc/22/82/82/945228282.db2.gz XIWKPPGVKISZCK-MRXNPFEDSA-N 2 0 367.331 3.984 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686511 939137838 /nfs/dbraw/zinc/13/78/38/939137838.db2.gz RIXAVWOCMAEULS-ZJSXRUAMSA-N 2 0 371.613 3.993 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000519224113 945230420 /nfs/dbraw/zinc/23/04/20/945230420.db2.gz OIYULXYFEMWVEK-LJQANCHMSA-N 2 0 359.558 3.872 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507439585 945238488 /nfs/dbraw/zinc/23/84/88/945238488.db2.gz CZMFYFSXCUEGGC-HNNXBMFYSA-N 2 0 351.922 3.687 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427318533 945268297 /nfs/dbraw/zinc/26/82/97/945268297.db2.gz DNTLFZXVJXSZNX-VAMGGRTRSA-N 2 0 371.569 3.561 20 0 FHADRP c1cnn([C@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000507499279 945269185 /nfs/dbraw/zinc/26/91/85/945269185.db2.gz YIQPLLOXPVGEHP-BFRACDOUSA-N 2 0 364.537 3.867 20 0 FHADRP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507487531 945274505 /nfs/dbraw/zinc/27/45/05/945274505.db2.gz RIRRBEAABZPHKY-SLFFLAALSA-N 2 0 358.526 3.609 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000431636018 939911676 /nfs/dbraw/zinc/91/16/76/939911676.db2.gz NKOWOMQPDHTNQV-NRFANRHFSA-N 2 0 357.542 3.553 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000438981060 945286326 /nfs/dbraw/zinc/28/63/26/945286326.db2.gz AZUDPIYEAYZYAK-QGZVFWFLSA-N 2 0 361.530 3.960 20 0 FHADRP CSc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000507507056 945286897 /nfs/dbraw/zinc/28/68/97/945286897.db2.gz HBSCYYGXLHKPSX-XUVXKRRUSA-N 2 0 353.535 3.804 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)CC3 ZINC000376018345 940196847 /nfs/dbraw/zinc/19/68/47/940196847.db2.gz IUGVUKAPPVYUOG-KLAILNCOSA-N 2 0 353.510 3.640 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000376114712 940330876 /nfs/dbraw/zinc/33/08/76/940330876.db2.gz MMTWYQSIBNSFNW-HYWYFEKYSA-N 2 0 370.562 3.565 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431729524 940427313 /nfs/dbraw/zinc/42/73/13/940427313.db2.gz RBXDEWZBMYEBMU-UGKGYDQZSA-N 2 0 371.569 3.942 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431729523 940427339 /nfs/dbraw/zinc/42/73/39/940427339.db2.gz RBXDEWZBMYEBMU-SIKLNZKXSA-N 2 0 371.569 3.942 20 0 FHADRP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000685849513 940461353 /nfs/dbraw/zinc/46/13/53/940461353.db2.gz LIFNFEIQLMQXQC-RTWAWAEBSA-N 2 0 358.526 3.551 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058828 940467682 /nfs/dbraw/zinc/46/76/82/940467682.db2.gz HWXLDDURBBSGDK-CTNGQTDRSA-N 2 0 363.977 3.983 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431749230 940469636 /nfs/dbraw/zinc/46/96/36/940469636.db2.gz BPQLWZNKIBPLDH-SFHLNBCPSA-N 2 0 359.558 3.554 20 0 FHADRP CC(C)CNC(=O)CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000660624300 945330294 /nfs/dbraw/zinc/33/02/94/945330294.db2.gz YXUWTGGHDKEESX-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414104359 940508766 /nfs/dbraw/zinc/50/87/66/940508766.db2.gz FOYCMMIPQPVAMS-WIYYLYMNSA-N 2 0 368.521 3.811 20 0 FHADRP Cc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)no1 ZINC000570825218 940589085 /nfs/dbraw/zinc/58/90/85/940589085.db2.gz IRBQWJUFJWZLEO-ZIFCJYIRSA-N 2 0 371.525 3.843 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414115110 940602434 /nfs/dbraw/zinc/60/24/34/940602434.db2.gz MOAJIVNZOSVCHN-QGZVFWFLSA-N 2 0 372.582 3.734 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414174675 940711992 /nfs/dbraw/zinc/71/19/92/940711992.db2.gz GSHVLWKSKZULMU-KNQAVFIVSA-N 2 0 353.510 3.696 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184866 940726643 /nfs/dbraw/zinc/72/66/43/940726643.db2.gz OOZLWACMNMDXKO-KBPBESRZSA-N 2 0 372.294 3.674 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000613492360 940775868 /nfs/dbraw/zinc/77/58/68/940775868.db2.gz JUDDWOQGIGDFCR-IBGZPJMESA-N 2 0 371.569 3.798 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892580693 940836530 /nfs/dbraw/zinc/83/65/30/940836530.db2.gz NLTSOTWTIZIUEB-KRWDZBQOSA-N 2 0 352.526 3.962 20 0 FHADRP CCc1ncc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cn1 ZINC000414276581 940879994 /nfs/dbraw/zinc/87/99/94/940879994.db2.gz AKQZNSLIHIGXLT-QZTJIDSGSA-N 2 0 352.526 3.807 20 0 FHADRP CCC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000414311779 940943921 /nfs/dbraw/zinc/94/39/21/940943921.db2.gz VJRWUFQXMBGQDU-FQEVSTJZSA-N 2 0 353.510 3.540 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000414319586 940956863 /nfs/dbraw/zinc/95/68/63/940956863.db2.gz AEGPCFUIWNMTMI-JOCHJYFZSA-N 2 0 371.569 3.832 20 0 FHADRP CC(C)C1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414320374 940964790 /nfs/dbraw/zinc/96/47/90/940964790.db2.gz BSJFLQAFNCUUBI-UHFFFAOYSA-N 2 0 371.569 3.688 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H](C)C1 ZINC000414343794 941013905 /nfs/dbraw/zinc/01/39/05/941013905.db2.gz RBQRLBHKLLFCJL-HQMSXXKGSA-N 2 0 360.542 3.525 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543931 941065688 /nfs/dbraw/zinc/06/56/88/941065688.db2.gz UOOJACRIVKOPFB-HUUCEWRRSA-N 2 0 360.452 3.567 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(SC)cc1OC ZINC000647543934 941065862 /nfs/dbraw/zinc/06/58/62/941065862.db2.gz UPGCKVODZRMQFY-HOTGVXAUSA-N 2 0 364.555 3.637 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544063 941066057 /nfs/dbraw/zinc/06/60/57/941066057.db2.gz VYOCZKCJTQPFEO-HUUCEWRRSA-N 2 0 354.441 3.508 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccn2)cc1 ZINC000647550928 941073856 /nfs/dbraw/zinc/07/38/56/941073856.db2.gz OSQKMOZBXRWJRM-GUDVDZBRSA-N 2 0 367.493 3.750 20 0 FHADRP C[C@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000187812252 941117083 /nfs/dbraw/zinc/11/70/83/941117083.db2.gz NQZRAGUJEKSLKO-MRXNPFEDSA-N 2 0 373.928 3.525 20 0 FHADRP Clc1cccc2c1SCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523100 941124614 /nfs/dbraw/zinc/12/46/14/941124614.db2.gz VLQWCFBCYHPPPD-JTTJXQCZSA-N 2 0 365.974 3.683 20 0 FHADRP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000163584770 941135208 /nfs/dbraw/zinc/13/52/08/941135208.db2.gz JUKIEYJQEVMSNJ-UHFFFAOYSA-N 2 0 361.961 3.768 20 0 FHADRP CCC(CC)C(=O)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000166026877 941211693 /nfs/dbraw/zinc/21/16/93/941211693.db2.gz SNYSKQNPLVZDPW-UHFFFAOYSA-N 2 0 363.590 3.800 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000311300384 941226096 /nfs/dbraw/zinc/22/60/96/941226096.db2.gz HINLEXOHJFBEHT-FUHWJXTLSA-N 2 0 365.562 3.629 20 0 FHADRP CC(C)C[C@H]([NH3+])c1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000414611979 941398256 /nfs/dbraw/zinc/39/82/56/941398256.db2.gz CLURPRHGMIGOOU-LVCYWYKZSA-N 2 0 354.498 3.669 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000110649943 941422636 /nfs/dbraw/zinc/42/26/36/941422636.db2.gz PTCWFHYYJYXHEH-NSHDSACASA-N 2 0 361.711 3.541 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000415017249 941543042 /nfs/dbraw/zinc/54/30/42/941543042.db2.gz RSOLOVGONAXPTA-CQSZACIVSA-N 2 0 354.420 3.557 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000415018659 941544722 /nfs/dbraw/zinc/54/47/22/941544722.db2.gz UXBAXCMWBVWHIW-ZDUSSCGKSA-N 2 0 353.919 3.983 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000415031995 941555295 /nfs/dbraw/zinc/55/52/95/941555295.db2.gz HQBBQIASHCRXLQ-SKDRFNHKSA-N 2 0 351.210 3.685 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000415033778 941557616 /nfs/dbraw/zinc/55/76/16/941557616.db2.gz JIPCLFAKZXRZRS-RDJZCZTQSA-N 2 0 352.507 3.818 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035066 941558635 /nfs/dbraw/zinc/55/86/35/941558635.db2.gz KKYWSPINNXHCGP-RISCZKNCSA-N 2 0 366.328 3.790 20 0 FHADRP c1cncc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415052220 941567472 /nfs/dbraw/zinc/56/74/72/941567472.db2.gz MUPONOOSRBZBIS-UNMCSNQZSA-N 2 0 351.494 3.625 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415057803 941570567 /nfs/dbraw/zinc/57/05/67/941570567.db2.gz UJEYPOVOJWYYDQ-OPAMFIHVSA-N 2 0 372.484 3.830 20 0 FHADRP Cc1nn2c(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000415059019 941571336 /nfs/dbraw/zinc/57/13/36/941571336.db2.gz UJZMFIUJJPGAEE-INIZCTEOSA-N 2 0 357.527 3.792 20 0 FHADRP Cc1nn2c(C[NH2+][C@H](CCC[NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000415059023 941571582 /nfs/dbraw/zinc/57/15/82/941571582.db2.gz UJZMFIUJJPGAEE-MRXNPFEDSA-N 2 0 357.527 3.792 20 0 FHADRP C[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000415054875 941574733 /nfs/dbraw/zinc/57/47/33/941574733.db2.gz NYICXUFOVPSOCT-VNCLNFNDSA-N 2 0 369.475 3.615 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057106 941576660 /nfs/dbraw/zinc/57/66/60/941576660.db2.gz TYUCSSMVVXVHJU-RXVVDRJESA-N 2 0 352.526 3.960 20 0 FHADRP Fc1ccccc1-c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415057213 941576765 /nfs/dbraw/zinc/57/67/65/941576765.db2.gz RLIPLXOAWHRDER-UHFFFAOYSA-N 2 0 373.541 3.860 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057107 941576854 /nfs/dbraw/zinc/57/68/54/941576854.db2.gz TYUCSSMVVXVHJU-WIYYLYMNSA-N 2 0 352.526 3.960 20 0 FHADRP COc1cccc(C([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c2cccc(OC)c2)c1 ZINC000415074694 941586228 /nfs/dbraw/zinc/58/62/28/941586228.db2.gz ABFRAYKCOIFEGT-IRXDYDNUSA-N 2 0 354.494 3.771 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415075898 941586999 /nfs/dbraw/zinc/58/69/99/941586999.db2.gz APHGXOABLMWEMN-FDFHNCONSA-N 2 0 372.553 3.644 20 0 FHADRP COc1cccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415082396 941592577 /nfs/dbraw/zinc/59/25/77/941592577.db2.gz LRCUWLSTIWZIPI-OAQYLSRUSA-N 2 0 358.457 3.522 20 0 FHADRP Clc1ccc(CN2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1Cl ZINC000415082855 941593588 /nfs/dbraw/zinc/59/35/88/941593588.db2.gz MMWPVRCJNKVTDZ-HNNXBMFYSA-N 2 0 356.341 3.690 20 0 FHADRP Clc1ccc(C2(C[NH2+]CC3CC[NH2+]CC3)CCOCC2)c(Cl)c1 ZINC000415083856 941594411 /nfs/dbraw/zinc/59/44/11/941594411.db2.gz FWVQQLDCKRUORM-UHFFFAOYSA-N 2 0 357.325 3.631 20 0 FHADRP Brc1cccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000313745858 941594979 /nfs/dbraw/zinc/59/49/79/941594979.db2.gz WISMCWGTTNOTOX-UHFFFAOYSA-N 2 0 360.299 3.645 20 0 FHADRP C[C@H]1C[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000415085956 941595874 /nfs/dbraw/zinc/59/58/74/941595874.db2.gz UAWBGDLYMZWLHV-WDEREUQCSA-N 2 0 363.246 3.528 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415119574 941614352 /nfs/dbraw/zinc/61/43/52/941614352.db2.gz FRRMDMQTQOLWBM-MSOLQXFVSA-N 2 0 356.432 3.732 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122820 941619070 /nfs/dbraw/zinc/61/90/70/941619070.db2.gz ISBPKYXSLJGHMX-VQIMIIECSA-N 2 0 354.494 3.788 20 0 FHADRP CCCCCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415124771 941620627 /nfs/dbraw/zinc/62/06/27/941620627.db2.gz NHHHVMSNCZVIJT-IRLDBZIGSA-N 2 0 360.542 3.974 20 0 FHADRP Cc1ccc2cc(C[NH2+]CC3(N)CC[NH+](Cc4ccccc4)CC3)ccc2n1 ZINC000415134612 941620935 /nfs/dbraw/zinc/62/09/35/941620935.db2.gz OXVUSTOGVFEVLX-UHFFFAOYSA-N 2 0 374.532 3.626 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c2ccccc12 ZINC000415128969 941622906 /nfs/dbraw/zinc/62/29/06/941622906.db2.gz SXYSLRNMKQHKTD-AVRDEDQJSA-N 2 0 354.494 3.567 20 0 FHADRP CCc1nnc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000892904865 941670136 /nfs/dbraw/zinc/67/01/36/941670136.db2.gz FIKIHTIOWQJLLY-UHFFFAOYSA-N 2 0 364.946 3.756 20 0 FHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc21 ZINC000549236904 941690067 /nfs/dbraw/zinc/69/00/67/941690067.db2.gz HRIDIFJBUIYJCV-VQTJNVASSA-N 2 0 358.526 3.880 20 0 FHADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(-c2cnn(C)c2)c1 ZINC000549246300 941735667 /nfs/dbraw/zinc/73/56/67/941735667.db2.gz UMNKWZBFAUVAEZ-UHFFFAOYSA-N 2 0 366.484 3.886 20 0 FHADRP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000549250266 941753016 /nfs/dbraw/zinc/75/30/16/941753016.db2.gz BAKJNRBYOVDFON-LJQANCHMSA-N 2 0 354.542 3.997 20 0 FHADRP C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513195459 941770810 /nfs/dbraw/zinc/77/08/10/941770810.db2.gz BVQPWLXZODHSHO-PIGHNIFASA-N 2 0 374.492 3.997 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204951 941779797 /nfs/dbraw/zinc/77/97/97/941779797.db2.gz YDLKCMDTEWKSBF-SIKLNZKXSA-N 2 0 365.606 3.510 20 0 FHADRP FC(F)(F)c1ccc(C[C@]2([NH2+]CCC[NH+]3CCCCC3)CCOC2)cc1 ZINC000513215703 941785569 /nfs/dbraw/zinc/78/55/69/941785569.db2.gz PYPKVRZFITXRTE-LJQANCHMSA-N 2 0 370.459 3.873 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000509915989 941804239 /nfs/dbraw/zinc/80/42/39/941804239.db2.gz JROYKYURPDRXGN-UHFFFAOYSA-N 2 0 371.569 3.865 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000513245721 941813146 /nfs/dbraw/zinc/81/31/46/941813146.db2.gz KAWJUPCDJLJZCG-UHFFFAOYSA-N 2 0 371.569 3.913 20 0 FHADRP O=C(CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000644530734 941827213 /nfs/dbraw/zinc/82/72/13/941827213.db2.gz LRQWOJASXLKWKM-IBGZPJMESA-N 2 0 369.484 3.656 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)CC1 ZINC000093132875 941843379 /nfs/dbraw/zinc/84/33/79/941843379.db2.gz WGTPKPOZKKZYDE-SFHVURJKSA-N 2 0 373.541 3.766 20 0 FHADRP Cc1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000433770761 941877175 /nfs/dbraw/zinc/87/71/75/941877175.db2.gz JAPUCYVKCGQVGR-IFXJQAMLSA-N 2 0 359.901 3.662 20 0 FHADRP Cc1cc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000433770763 941877597 /nfs/dbraw/zinc/87/75/97/941877597.db2.gz JAPUCYVKCGQVGR-LIRRHRJNSA-N 2 0 359.901 3.662 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000119641865 941892422 /nfs/dbraw/zinc/89/24/22/941892422.db2.gz JXDGGSGGWZFCSC-UHFFFAOYSA-N 2 0 355.526 3.762 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000467196528 941911844 /nfs/dbraw/zinc/91/18/44/941911844.db2.gz KWHCBROALXJKQI-NRFANRHFSA-N 2 0 366.590 3.939 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)CC1 ZINC000093133181 941942970 /nfs/dbraw/zinc/94/29/70/941942970.db2.gz JEUICAVAFFZZBV-KRWDZBQOSA-N 2 0 373.928 3.812 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000513469151 941945888 /nfs/dbraw/zinc/94/58/88/941945888.db2.gz NHEJLLSSWJAISG-WMZHIEFXSA-N 2 0 351.538 3.891 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659862941 941954088 /nfs/dbraw/zinc/95/40/88/941954088.db2.gz GDSMTEWHIOGCNR-RZUBCFFCSA-N 2 0 355.570 3.597 20 0 FHADRP CCOc1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510281 941971887 /nfs/dbraw/zinc/97/18/87/941971887.db2.gz AWVLQYFUFFCFAP-AZUAARDMSA-N 2 0 353.510 3.871 20 0 FHADRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)[C@H](C)C2)s1 ZINC000377793495 941996024 /nfs/dbraw/zinc/99/60/24/941996024.db2.gz SJYCKNPHZBDNMK-XIKOKIGWSA-N 2 0 351.466 3.730 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543934 942004564 /nfs/dbraw/zinc/00/45/64/942004564.db2.gz BCIIBOSDGFFBEP-UYAOXDASSA-N 2 0 362.521 3.964 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415782963 942049576 /nfs/dbraw/zinc/04/95/76/942049576.db2.gz FLWREAULMSQWKA-NHCUHLMSSA-N 2 0 366.509 3.837 20 0 FHADRP OC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294324 942062416 /nfs/dbraw/zinc/06/24/16/942062416.db2.gz BYZKRHZGXUXXGK-GOTSBHOMSA-N 2 0 364.533 3.939 20 0 FHADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1OC(F)F ZINC000513679012 942078776 /nfs/dbraw/zinc/07/87/76/942078776.db2.gz TXCFAGLHVWACCV-ARFHVFGLSA-N 2 0 354.441 3.649 20 0 FHADRP Cn1nc(CCC[N@H+](C)CCCC2CC[NH2+]CC2)cc1-c1ccc(F)cc1 ZINC000647881197 942125119 /nfs/dbraw/zinc/12/51/19/942125119.db2.gz RQZMLHOPSWQFQK-UHFFFAOYSA-N 2 0 372.532 3.870 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000415933014 942158399 /nfs/dbraw/zinc/15/83/99/942158399.db2.gz PCFULFBGHRTTMU-QAPCUYQASA-N 2 0 358.486 3.640 20 0 FHADRP C[C@@H]1C[C@H](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994303 942159259 /nfs/dbraw/zinc/15/92/59/942159259.db2.gz MPVXPSSHTRENKV-HJNYFJLDSA-N 2 0 371.569 3.668 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000415926922 942164137 /nfs/dbraw/zinc/16/41/37/942164137.db2.gz BYPPPNPGOAULBB-ROUUACIJSA-N 2 0 360.546 3.676 20 0 FHADRP C[C@H](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000415952297 942191620 /nfs/dbraw/zinc/19/16/20/942191620.db2.gz KMPLOOUABKPCFI-CYBMUJFWSA-N 2 0 372.435 3.550 20 0 FHADRP C[NH+](C)CCN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCCC1 ZINC000415954584 942195973 /nfs/dbraw/zinc/19/59/73/942195973.db2.gz KSNCIXFWHBVSHL-UHFFFAOYSA-N 2 0 372.435 3.502 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000415962222 942201180 /nfs/dbraw/zinc/20/11/80/942201180.db2.gz WWOSZLIPAPVHMI-UHFFFAOYSA-N 2 0 372.488 3.531 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415962744 942201962 /nfs/dbraw/zinc/20/19/62/942201962.db2.gz UQTGHCGJUAJQMY-BLLLJJGKSA-N 2 0 372.435 3.501 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000415959688 942208564 /nfs/dbraw/zinc/20/85/64/942208564.db2.gz TUZNNFWENGUEJP-FQEVSTJZSA-N 2 0 366.509 3.582 20 0 FHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974110 942210372 /nfs/dbraw/zinc/21/03/72/942210372.db2.gz RKRJPZVLJQPPQO-INIZCTEOSA-N 2 0 372.435 3.550 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000415967683 942213416 /nfs/dbraw/zinc/21/34/16/942213416.db2.gz BTHMIKKWZHUVKB-MJGOQNOKSA-N 2 0 358.530 3.524 20 0 FHADRP C[NH+](C)CC[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)(C)C ZINC000415968992 942213863 /nfs/dbraw/zinc/21/38/63/942213863.db2.gz JNNRNYLCMAOHTJ-HNNXBMFYSA-N 2 0 374.451 3.652 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977445 942220140 /nfs/dbraw/zinc/22/01/40/942220140.db2.gz YHOGFQDYLGCPHB-GOSISDBHSA-N 2 0 366.509 3.534 20 0 FHADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000415978169 942220812 /nfs/dbraw/zinc/22/08/12/942220812.db2.gz XGEFLFFQPHZFQC-CHWSQXEVSA-N 2 0 372.435 3.549 20 0 FHADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415983076 942222491 /nfs/dbraw/zinc/22/24/91/942222491.db2.gz YXCCBDBKUJYLJJ-UTKZUKDTSA-N 2 0 366.509 3.662 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415982312 942225947 /nfs/dbraw/zinc/22/59/47/942225947.db2.gz KUGIOCGRCYFUFT-ROUUACIJSA-N 2 0 366.509 3.533 20 0 FHADRP c1cc(C[NH+]2CCC(OCC3CCCC3)CC2)ccc1CN1CCOCC1 ZINC000420918203 942267721 /nfs/dbraw/zinc/26/77/21/942267721.db2.gz VIYGHLXCBMZOEK-UHFFFAOYSA-N 2 0 372.553 3.690 20 0 FHADRP CCOc1ccc(OCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501043295 942272215 /nfs/dbraw/zinc/27/22/15/942272215.db2.gz BWMDTWHBPRECDX-UHFFFAOYSA-N 2 0 369.509 3.708 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000502272436 942324551 /nfs/dbraw/zinc/32/45/51/942324551.db2.gz HLRSXJKMXFFXRY-OAQYLSRUSA-N 2 0 360.542 3.846 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1OC ZINC000502277743 942327618 /nfs/dbraw/zinc/32/76/18/942327618.db2.gz CSNHPKOQLIRTKV-INIZCTEOSA-N 2 0 374.500 3.934 20 0 FHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000419678092 942347162 /nfs/dbraw/zinc/34/71/62/942347162.db2.gz PALQKHUGFBAHHE-TZQWOGLNSA-N 2 0 356.554 3.926 20 0 FHADRP C[NH+](C)CC[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000180560199 942383135 /nfs/dbraw/zinc/38/31/35/942383135.db2.gz ZPZOQCFVOCKUFF-OFLPRAFFSA-N 2 0 355.567 3.778 20 0 FHADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000416150700 942407370 /nfs/dbraw/zinc/40/73/70/942407370.db2.gz LONWVPFNCRFOSS-RBBKRZOGSA-N 2 0 371.569 3.794 20 0 FHADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404205 942434396 /nfs/dbraw/zinc/43/43/96/942434396.db2.gz ZPNPXBPWQRWREY-IBGZPJMESA-N 2 0 352.526 3.559 20 0 FHADRP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713228 942447249 /nfs/dbraw/zinc/44/72/49/942447249.db2.gz MMNOSDOEEFSGIU-CEXWTWQISA-N 2 0 370.459 3.846 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000414826058 942458795 /nfs/dbraw/zinc/45/87/95/942458795.db2.gz IBWXBOHVESCSDE-KRWDZBQOSA-N 2 0 356.466 3.585 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H]2CC[NH2+]C2)o1 ZINC000414828134 942466479 /nfs/dbraw/zinc/46/64/79/942466479.db2.gz ILBYUECMCPHDRK-QGZVFWFLSA-N 2 0 350.466 3.530 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4c(cc(C)cc4C)[nH]3)CC2)CC1 ZINC000421373022 942525112 /nfs/dbraw/zinc/52/51/12/942525112.db2.gz LYEXZPREHUINDY-UHFFFAOYSA-N 2 0 368.569 3.777 20 0 FHADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000421376063 942526869 /nfs/dbraw/zinc/52/68/69/942526869.db2.gz QZDLHQQSZLRICN-UHFFFAOYSA-N 2 0 369.509 3.632 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000421375202 942527162 /nfs/dbraw/zinc/52/71/62/942527162.db2.gz PZKYETNWOCLXHQ-ADKAHSJRSA-N 2 0 351.332 3.769 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819512 942538004 /nfs/dbraw/zinc/53/80/04/942538004.db2.gz YEWWFFONSAJETP-MRXNPFEDSA-N 2 0 368.468 3.783 20 0 FHADRP Cc1ccc(C)c(OCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513821174 942538755 /nfs/dbraw/zinc/53/87/55/942538755.db2.gz DHEBJJXLSLHPIW-UHFFFAOYSA-N 2 0 360.542 3.507 20 0 FHADRP CC(C)[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000502564097 942545404 /nfs/dbraw/zinc/54/54/04/942545404.db2.gz TYJZMAPSQXLNML-IRLDBZIGSA-N 2 0 371.500 3.532 20 0 FHADRP Brc1ccc(-c2ncc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)cc1 ZINC000414842361 942576591 /nfs/dbraw/zinc/57/65/91/942576591.db2.gz ZBHYVQDOTCHJNL-GFCCVEGCSA-N 2 0 366.328 3.662 20 0 FHADRP c1ccc(C(c2ccccc2)[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000513904264 942592099 /nfs/dbraw/zinc/59/20/99/942592099.db2.gz SXOHQMNJZAZCLT-UHFFFAOYSA-N 2 0 350.506 3.820 20 0 FHADRP C[NH+](C)Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000607383563 942596767 /nfs/dbraw/zinc/59/67/67/942596767.db2.gz XFOCACDECLPNNX-UHFFFAOYSA-N 2 0 357.542 3.667 20 0 FHADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414522314 942604993 /nfs/dbraw/zinc/60/49/93/942604993.db2.gz GQKWLRTUIWZJJG-OALUTQOASA-N 2 0 362.583 3.523 20 0 FHADRP O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420299456 942610071 /nfs/dbraw/zinc/61/00/71/942610071.db2.gz ISSAYNYJFQBATK-CYBMUJFWSA-N 2 0 370.324 3.644 20 0 FHADRP CCc1ccc(CC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000420302272 942610760 /nfs/dbraw/zinc/61/07/60/942610760.db2.gz BQLFQDAQAOOPHK-IBGZPJMESA-N 2 0 355.551 3.892 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341986 942624732 /nfs/dbraw/zinc/62/47/32/942624732.db2.gz PDDWUEOLQAUESH-USXIJHARSA-N 2 0 358.461 3.567 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341984 942625110 /nfs/dbraw/zinc/62/51/10/942625110.db2.gz PDDWUEOLQAUESH-BHYGNILZSA-N 2 0 358.461 3.567 20 0 FHADRP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327052 942629545 /nfs/dbraw/zinc/62/95/45/942629545.db2.gz CRJGWCDWGYLYDK-DZFGPLHGSA-N 2 0 363.505 3.931 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000420376022 942645523 /nfs/dbraw/zinc/64/55/23/942645523.db2.gz JLBVWOGEWVIZMJ-MSOLQXFVSA-N 2 0 354.947 3.650 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1F ZINC000420379982 942647506 /nfs/dbraw/zinc/64/75/06/942647506.db2.gz BXYSNNKTUUADKT-HKUYNNGSSA-N 2 0 372.488 3.581 20 0 FHADRP Cn1nc(CCC[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000502683051 942657193 /nfs/dbraw/zinc/65/71/93/942657193.db2.gz LSIPGLVBJFOVHZ-HXUWFJFHSA-N 2 0 358.505 3.575 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)cc1)C(C)C ZINC000434420711 942663206 /nfs/dbraw/zinc/66/32/06/942663206.db2.gz RXMXAYOQTSRDLO-OAQYLSRUSA-N 2 0 357.542 3.664 20 0 FHADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)C1CCCCC1 ZINC000501786577 942672341 /nfs/dbraw/zinc/67/23/41/942672341.db2.gz SIYRIYKOJCZOIC-GOSISDBHSA-N 2 0 351.579 3.610 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(C)c(C)o3)cc2)CC1 ZINC000502705932 942673091 /nfs/dbraw/zinc/67/30/91/942673091.db2.gz CUBSNTMVYGJGPI-SFHVURJKSA-N 2 0 355.526 3.885 20 0 FHADRP COCC[N@H+](C)CCCC1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000501787886 942673586 /nfs/dbraw/zinc/67/35/86/942673586.db2.gz BKCUETVTTJUQMG-UHFFFAOYSA-N 2 0 362.562 3.569 20 0 FHADRP COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000378399271 942718872 /nfs/dbraw/zinc/71/88/72/942718872.db2.gz FHMDIDSALQVZLY-OXQOHEQNSA-N 2 0 370.493 3.810 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCCCCC2=O)CC1 ZINC000513754357 942734144 /nfs/dbraw/zinc/73/41/44/942734144.db2.gz KHZBMCDBCFQSAW-UHFFFAOYSA-N 2 0 371.569 3.812 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000514089130 942740531 /nfs/dbraw/zinc/74/05/31/942740531.db2.gz ORYXMBWSQVIEPK-OKZBNKHCSA-N 2 0 356.432 3.728 20 0 FHADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502795004 942748399 /nfs/dbraw/zinc/74/83/99/942748399.db2.gz JNKMWXBOEMRKOT-OALUTQOASA-N 2 0 374.573 3.680 20 0 FHADRP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114777 942754796 /nfs/dbraw/zinc/75/47/96/942754796.db2.gz KEADSDNCAOXCFQ-FXAWDEMLSA-N 2 0 351.494 3.698 20 0 FHADRP C[N@H+](CCCO[C@@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000514130500 942763107 /nfs/dbraw/zinc/76/31/07/942763107.db2.gz LGAOQZVTANIYGL-OAQYLSRUSA-N 2 0 361.530 3.553 20 0 FHADRP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000514163218 942783935 /nfs/dbraw/zinc/78/39/35/942783935.db2.gz VBXRQKVCKPKQOB-OAQYLSRUSA-N 2 0 374.573 3.633 20 0 FHADRP CCC(CC)(CC)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414549540 942794298 /nfs/dbraw/zinc/79/42/98/942794298.db2.gz AWKFSSDXPMUQTO-UHFFFAOYSA-N 2 0 359.558 3.690 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502852709 942797232 /nfs/dbraw/zinc/79/72/32/942797232.db2.gz KHXKDMQOHMTSGT-OAQYLSRUSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182883351 942801162 /nfs/dbraw/zinc/80/11/62/942801162.db2.gz WPJGKBHMRLWVFX-KBXCAEBGSA-N 2 0 369.525 3.604 20 0 FHADRP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@H]2CCCO2)cc1)C[C@H]1CCCO1 ZINC000514198614 942808906 /nfs/dbraw/zinc/80/89/06/942808906.db2.gz DUIDPJBUFSXPHO-FGZHOGPDSA-N 2 0 360.542 3.688 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414848822 942818036 /nfs/dbraw/zinc/81/80/36/942818036.db2.gz WOICHLMPEIAAJM-ZDUSSCGKSA-N 2 0 373.419 3.554 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccncc3Cl)cc2)CC1 ZINC000421821833 942832198 /nfs/dbraw/zinc/83/21/98/942832198.db2.gz UKUVPVUDSMXHLJ-KRWDZBQOSA-N 2 0 372.944 3.723 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1Cl ZINC000421834487 942838731 /nfs/dbraw/zinc/83/87/31/942838731.db2.gz OVLKGPASJFAQKR-HNNXBMFYSA-N 2 0 359.901 3.543 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000430110458 942922195 /nfs/dbraw/zinc/92/21/95/942922195.db2.gz YRLXEDRVFAYFEP-UXHICEINSA-N 2 0 363.496 3.696 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000503037486 942932333 /nfs/dbraw/zinc/93/23/33/942932333.db2.gz HBMITRZHUBXEDC-RBUKOAKNSA-N 2 0 374.573 3.537 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnccc2C)CC1 ZINC000271791098 943051258 /nfs/dbraw/zinc/05/12/58/943051258.db2.gz KCTRBYLTSCAIDQ-QGZVFWFLSA-N 2 0 356.489 3.522 20 0 FHADRP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505573433 943057685 /nfs/dbraw/zinc/05/76/85/943057685.db2.gz BTGHUHRLRLJTBV-HTAPYJJXSA-N 2 0 374.488 3.668 20 0 FHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655588 943111347 /nfs/dbraw/zinc/11/13/47/943111347.db2.gz DIBXEDFIUQTNRA-AZUAARDMSA-N 2 0 360.505 3.768 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000272633732 943190239 /nfs/dbraw/zinc/19/02/39/943190239.db2.gz AYUMHZHRORRZSB-UHFFFAOYSA-N 2 0 358.555 3.744 20 0 FHADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000422636178 943216000 /nfs/dbraw/zinc/21/60/00/943216000.db2.gz MOCKVJNSPDNZFR-WSTZPKSXSA-N 2 0 365.521 3.987 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1)C1CC1 ZINC000511590617 943234952 /nfs/dbraw/zinc/23/49/52/943234952.db2.gz FNECTTRBIKBROD-UHFFFAOYSA-N 2 0 357.542 3.665 20 0 FHADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000047968229 943236922 /nfs/dbraw/zinc/23/69/22/943236922.db2.gz XYFNHAVTTGLAHO-SFHVURJKSA-N 2 0 356.432 3.547 20 0 FHADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422708400 943242030 /nfs/dbraw/zinc/24/20/30/943242030.db2.gz BYTSYGQFOZAWOI-DENIHFKCSA-N 2 0 352.478 3.819 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC(F)(F)F)c2ccccc2)CC[NH2+]CC1 ZINC000422708533 943242286 /nfs/dbraw/zinc/24/22/86/943242286.db2.gz JBBZBPBVMNHQBE-GOEBONIOSA-N 2 0 372.431 3.591 20 0 FHADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422691487 943246537 /nfs/dbraw/zinc/24/65/37/943246537.db2.gz IKOHDPNWNCJPOG-QHAWAJNXSA-N 2 0 367.493 3.893 20 0 FHADRP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccncc1 ZINC000422693828 943247389 /nfs/dbraw/zinc/24/73/89/943247389.db2.gz MRIYSXOICLXFGC-AZCLRUCKSA-N 2 0 367.493 3.603 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000422732727 943250185 /nfs/dbraw/zinc/25/01/85/943250185.db2.gz QFQHKTDKPKPRNR-STQMWFEESA-N 2 0 358.935 3.764 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422733919 943251009 /nfs/dbraw/zinc/25/10/09/943251009.db2.gz RZMNXNJGCJZBMX-JTQLQIEISA-N 2 0 352.251 3.601 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(Br)s1 ZINC000422723108 943258720 /nfs/dbraw/zinc/25/87/20/943258720.db2.gz ZPFLOUMVEGVQDJ-SWLSCSKDSA-N 2 0 353.329 3.601 20 0 FHADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757785 943262729 /nfs/dbraw/zinc/26/27/29/943262729.db2.gz IYZXRTXOKMVNOL-FXECBMLZSA-N 2 0 369.475 3.818 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762098 943265594 /nfs/dbraw/zinc/26/55/94/943265594.db2.gz NKBGYYXPEOBWRE-YJBOKZPZSA-N 2 0 370.459 3.861 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416982943 943266538 /nfs/dbraw/zinc/26/65/38/943266538.db2.gz WPFDQINWMFAVAV-GHTZIAJQSA-N 2 0 374.573 3.576 20 0 FHADRP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422743993 943268961 /nfs/dbraw/zinc/26/89/61/943268961.db2.gz JMRPBDRSCKZTTF-CZTZKLFOSA-N 2 0 351.494 3.933 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776044 943278494 /nfs/dbraw/zinc/27/84/94/943278494.db2.gz BZBIZHJOZSCLME-QZNHQXDQSA-N 2 0 364.489 3.918 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776086 943279132 /nfs/dbraw/zinc/27/91/32/943279132.db2.gz CEKFSGAISUHETL-STQMWFEESA-N 2 0 373.324 3.965 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422784859 943281522 /nfs/dbraw/zinc/28/15/22/943281522.db2.gz MNORYCUEOZPVFC-YEWWUXTCSA-N 2 0 362.420 3.599 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCCO2)cc1 ZINC000422783190 943281674 /nfs/dbraw/zinc/28/16/74/943281674.db2.gz MVMOHNMXKGNGEE-LGKPFJOYSA-N 2 0 364.489 3.752 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784302 943282316 /nfs/dbraw/zinc/28/23/16/943282316.db2.gz NYRHYXLYQXQBHQ-HYVJGQCMSA-N 2 0 366.505 3.862 20 0 FHADRP FC(F)Oc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422763305 943284734 /nfs/dbraw/zinc/28/47/34/943284734.db2.gz NFGYVQLIQQJXBR-FXAWDEMLSA-N 2 0 360.404 3.634 20 0 FHADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766153 943285513 /nfs/dbraw/zinc/28/55/13/943285513.db2.gz LLZTXADZYIPKIH-OHEPNIRZSA-N 2 0 368.477 3.610 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795079 943285739 /nfs/dbraw/zinc/28/57/39/943285739.db2.gz ZPTKTPBREHUYED-HMXCVIKNSA-N 2 0 372.896 3.873 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797029 943286991 /nfs/dbraw/zinc/28/69/91/943286991.db2.gz KXXUDGAWKWCASB-GXRSIYKFSA-N 2 0 359.558 3.588 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797026 943287321 /nfs/dbraw/zinc/28/73/21/943287321.db2.gz KXXUDGAWKWCASB-CIAFKFPVSA-N 2 0 359.558 3.588 20 0 FHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790174 943293290 /nfs/dbraw/zinc/29/32/90/943293290.db2.gz PFNUEBHMCDRMSB-HZPDHXFCSA-N 2 0 352.457 3.894 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CC(C)C ZINC000422832697 943299833 /nfs/dbraw/zinc/29/98/33/943299833.db2.gz VIXSASJHYQGAGW-RCZSKKKRSA-N 2 0 359.558 3.588 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422841013 943301722 /nfs/dbraw/zinc/30/17/22/943301722.db2.gz VASMYBYUSFDOFK-GGAORHGYSA-N 3 0 371.569 3.590 20 0 FHADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422815404 943302680 /nfs/dbraw/zinc/30/26/80/943302680.db2.gz XQYIHCDAESLUOJ-KZNAEPCWSA-N 2 0 356.432 3.776 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)s2)cc1 ZINC000422818730 943303610 /nfs/dbraw/zinc/30/36/10/943303610.db2.gz HAZXREQCJOJVDT-VAMGGRTRSA-N 2 0 372.534 3.670 20 0 FHADRP c1cc(OC2CCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422850126 943304886 /nfs/dbraw/zinc/30/48/86/943304886.db2.gz MVHGNLNNLFGMCW-FDFHNCONSA-N 2 0 358.526 3.645 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422860637 943309491 /nfs/dbraw/zinc/30/94/91/943309491.db2.gz ILYQJGXVRQWCIT-YESZJQIVSA-N 2 0 356.432 3.946 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422879322 943314215 /nfs/dbraw/zinc/31/42/15/943314215.db2.gz VARWHBOVTXGRKW-MXEMCNAFSA-N 2 0 358.526 3.563 20 0 FHADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878862 943314305 /nfs/dbraw/zinc/31/43/05/943314305.db2.gz KYPDNHSSVZFBHZ-ZBFHGGJFSA-N 2 0 356.457 3.740 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000422872711 943321816 /nfs/dbraw/zinc/32/18/16/943321816.db2.gz IJMWVSZFJWQGHX-CEXWTWQISA-N 2 0 350.934 3.655 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422873803 943322639 /nfs/dbraw/zinc/32/26/39/943322639.db2.gz BCLSOFLZZKXEAO-ZWKOTPCHSA-N 3 0 366.553 3.931 20 0 FHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422875076 943323418 /nfs/dbraw/zinc/32/34/18/943323418.db2.gz BPONCLIGFDESIN-VAMGGRTRSA-N 2 0 362.945 3.899 20 0 FHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000422903301 943325130 /nfs/dbraw/zinc/32/51/30/943325130.db2.gz FJBVHACCRJIUMQ-XPWALMASSA-N 2 0 350.506 3.909 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)CCC[NH3+])c(C(F)(F)F)c2)n1 ZINC000422901977 943325331 /nfs/dbraw/zinc/32/53/31/943325331.db2.gz MBFHSXFRJLFKPK-GFCCVEGCSA-N 2 0 354.420 3.725 20 0 FHADRP CC[C@H]([NH2+]CC1(c2cc(Cl)ccc2OC)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422903081 943325622 /nfs/dbraw/zinc/32/56/22/943325622.db2.gz OBCSXQHZTVRBGG-ROUUACIJSA-N 2 0 366.933 3.517 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422905143 943325764 /nfs/dbraw/zinc/32/57/64/943325764.db2.gz YQJUHOCOIPOPKA-UGKGYDQZSA-N 2 0 352.453 3.703 20 0 FHADRP CC[C@@H]([NH2+]CC1(c2cc(Cl)ccc2OC)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422903080 943325836 /nfs/dbraw/zinc/32/58/36/943325836.db2.gz OBCSXQHZTVRBGG-MSOLQXFVSA-N 2 0 366.933 3.517 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906625 943327143 /nfs/dbraw/zinc/32/71/43/943327143.db2.gz VPPFTAIITCXJRF-NWDGAFQWSA-N 2 0 354.420 3.723 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cnccc1N ZINC000422910519 943328484 /nfs/dbraw/zinc/32/84/84/943328484.db2.gz QWQGDOMPJYHUPO-IBGZPJMESA-N 2 0 366.553 3.880 20 0 FHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909491 943328522 /nfs/dbraw/zinc/32/85/22/943328522.db2.gz OESLTMOPWKHWBD-RFWXGWTQSA-N 2 0 371.569 3.733 20 0 FHADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915412 943329410 /nfs/dbraw/zinc/32/94/10/943329410.db2.gz YCPDWDQIYGWDLV-ARFHVFGLSA-N 2 0 362.468 3.874 20 0 FHADRP CC[NH+](CC)CCOc1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422893312 943330034 /nfs/dbraw/zinc/33/00/34/943330034.db2.gz PZRBYFFTBREPPR-YADHBBJMSA-N 2 0 353.510 3.642 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893538 943330905 /nfs/dbraw/zinc/33/09/05/943330905.db2.gz ADOTVVOFXDWIQI-RTWAWAEBSA-N 2 0 366.505 3.786 20 0 FHADRP COc1ccc(C2(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CCOCC2)cc1 ZINC000422895767 943331963 /nfs/dbraw/zinc/33/19/63/943331963.db2.gz GNTRVPPPDXWOFS-UYAOXDASSA-N 2 0 360.542 3.644 20 0 FHADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922757 943332408 /nfs/dbraw/zinc/33/24/08/943332408.db2.gz UGUOLKZMIRAIDE-TYPHKJRUSA-N 2 0 372.896 3.873 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1Br ZINC000422928806 943334510 /nfs/dbraw/zinc/33/45/10/943334510.db2.gz MSMBPVTZFLSSSX-OLZOCXBDSA-N 2 0 362.315 3.893 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422934546 943337100 /nfs/dbraw/zinc/33/71/00/943337100.db2.gz JTLUTPKXQVKTBA-SCLBCKFNSA-N 2 0 365.290 3.679 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422940104 943339027 /nfs/dbraw/zinc/33/90/27/943339027.db2.gz IQSXKTGTVXDAAE-ZDUSSCGKSA-N 2 0 360.889 3.572 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422939907 943339083 /nfs/dbraw/zinc/33/90/83/943339083.db2.gz GJWOXOYMCKBLCA-NZQKXSOJSA-N 2 0 366.505 3.818 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422941566 943340218 /nfs/dbraw/zinc/34/02/18/943340218.db2.gz JLGQDILXIQFMKM-GFCCVEGCSA-N 2 0 353.388 3.597 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422941569 943340339 /nfs/dbraw/zinc/34/03/39/943340339.db2.gz JLGQDILXIQFMKM-LBPRGKRZSA-N 2 0 353.388 3.597 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422919581 943341458 /nfs/dbraw/zinc/34/14/58/943341458.db2.gz KCCWSMBUSHNKCC-SIKLNZKXSA-N 2 0 356.510 3.571 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944130 943342126 /nfs/dbraw/zinc/34/21/26/943342126.db2.gz RRPWJTHQHJXDJN-YMPZKCBVSA-N 2 0 364.489 3.992 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944128 943342380 /nfs/dbraw/zinc/34/23/80/943342380.db2.gz RRPWJTHQHJXDJN-MZYLBHOOSA-N 2 0 364.489 3.992 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422949363 943346034 /nfs/dbraw/zinc/34/60/34/943346034.db2.gz TWHZQQBIDYCCOZ-QGTPRVQTSA-N 2 0 366.347 3.525 20 0 FHADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000414708034 943346326 /nfs/dbraw/zinc/34/63/26/943346326.db2.gz IEZZEBAOJJSAPO-VGOFRKELSA-N 2 0 372.557 3.900 20 0 FHADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422950921 943346643 /nfs/dbraw/zinc/34/66/43/943346643.db2.gz XBIHFIURYAGCLQ-LSDHHAIUSA-N 2 0 354.498 3.684 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000422953071 943348051 /nfs/dbraw/zinc/34/80/51/943348051.db2.gz CXHQUVJCKKHDCW-CROMWVBPSA-N 2 0 367.537 3.666 20 0 FHADRP C[NH2+]C[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414708192 943348657 /nfs/dbraw/zinc/34/86/57/943348657.db2.gz IQXGGPBTIAIBBM-QGZVFWFLSA-N 2 0 358.530 3.524 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000422957745 943350096 /nfs/dbraw/zinc/35/00/96/943350096.db2.gz VLFLILOMLMBVFB-MSOLQXFVSA-N 2 0 350.491 3.872 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872432 943352229 /nfs/dbraw/zinc/35/22/29/943352229.db2.gz ZYMWTSJFTZDQCM-FPOVZHCZSA-N 2 0 371.569 3.517 20 0 FHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503745489 943352861 /nfs/dbraw/zinc/35/28/61/943352861.db2.gz ZWZSMVMZDYSXRX-AZUAARDMSA-N 2 0 374.573 3.680 20 0 FHADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OCC(F)(F)F ZINC000435374228 943355718 /nfs/dbraw/zinc/35/57/18/943355718.db2.gz WYCXMOZGTJVXQS-INIZCTEOSA-N 2 0 372.431 3.600 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000422977340 943356661 /nfs/dbraw/zinc/35/66/61/943356661.db2.gz JRUMIJLJPTXEDR-HOTGVXAUSA-N 2 0 356.514 3.908 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccccc1 ZINC000422978717 943357001 /nfs/dbraw/zinc/35/70/01/943357001.db2.gz KHLFCWOAZUYYPK-GIWBLDEGSA-N 2 0 365.521 3.969 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422980918 943357749 /nfs/dbraw/zinc/35/77/49/943357749.db2.gz MSKCCCAFSKXUJI-RHSMWYFYSA-N 2 0 362.905 3.833 20 0 FHADRP COc1ccc([C@H]([NH2+]C2CCC(C[NH3+])CC2)c2ccccc2OC)cc1 ZINC000423000981 943361098 /nfs/dbraw/zinc/36/10/98/943361098.db2.gz HFWMXYKNFRHYMR-QRFVXNFXSA-N 2 0 354.494 3.900 20 0 FHADRP CCC(CC)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000425357437 943364041 /nfs/dbraw/zinc/36/40/41/943364041.db2.gz RWYQHQOJWZWGHH-UHFFFAOYSA-N 2 0 361.530 3.788 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023132 943366135 /nfs/dbraw/zinc/36/61/35/943366135.db2.gz JAXWRBHORLFNMP-YYFZDKIDSA-N 2 0 361.892 3.606 20 0 FHADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423022360 943367106 /nfs/dbraw/zinc/36/71/06/943367106.db2.gz FCAIMLJUOONTBX-IRLDBZIGSA-N 2 0 351.494 3.724 20 0 FHADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021527 943367713 /nfs/dbraw/zinc/36/77/13/943367713.db2.gz FQMDLQUBULFPSO-OHDICMOHSA-N 2 0 353.913 3.579 20 0 FHADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021530 943367888 /nfs/dbraw/zinc/36/78/88/943367888.db2.gz FQMDLQUBULFPSO-SFUIVIKGSA-N 2 0 353.913 3.579 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000435380343 943369114 /nfs/dbraw/zinc/36/91/14/943369114.db2.gz NSJODFOTVSYCID-SJORKVTESA-N 2 0 350.466 3.610 20 0 FHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028597 943370751 /nfs/dbraw/zinc/37/07/51/943370751.db2.gz GWHNBBMXYDNSAV-ROUUACIJSA-N 2 0 352.413 3.543 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[C@@H]([NH3+])c4ccccc43)c2)CC1 ZINC000423031713 943371796 /nfs/dbraw/zinc/37/17/96/943371796.db2.gz VGLWEZWKTTWBJY-YADHBBJMSA-N 2 0 350.510 3.774 20 0 FHADRP CC(C)c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713236 943373868 /nfs/dbraw/zinc/37/38/68/943373868.db2.gz UDRPPLHLYBJJSF-NQIIRXRSSA-N 2 0 357.542 3.534 20 0 FHADRP CC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435387231 943374547 /nfs/dbraw/zinc/37/45/47/943374547.db2.gz YMDHVWAFUDFMKB-HNNXBMFYSA-N 2 0 360.420 3.600 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056851 943376653 /nfs/dbraw/zinc/37/66/53/943376653.db2.gz YURQOPUGMOIUMZ-AVRDEDQJSA-N 2 0 354.542 3.656 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057189 943376691 /nfs/dbraw/zinc/37/66/91/943376691.db2.gz ZLKZAPZRFXBFMX-XOKHGSTOSA-N 2 0 354.897 3.503 20 0 FHADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423057026 943376910 /nfs/dbraw/zinc/37/69/10/943376910.db2.gz GNZQWSQTZBEGHV-NFBKMPQASA-N 2 0 365.521 3.877 20 0 FHADRP COCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423058234 943377509 /nfs/dbraw/zinc/37/75/09/943377509.db2.gz BUNCLOYVQJKOMH-DENIHFKCSA-N 2 0 358.526 3.819 20 0 FHADRP CSCc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060648 943378106 /nfs/dbraw/zinc/37/81/06/943378106.db2.gz OUUDENHBUPMXFG-FPOVZHCZSA-N 2 0 354.519 3.895 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1-c1ccccc1 ZINC000423065611 943379911 /nfs/dbraw/zinc/37/99/11/943379911.db2.gz VBLNUNVCPKCSCT-DNVJHFABSA-N 2 0 350.506 3.909 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000423066987 943380630 /nfs/dbraw/zinc/38/06/30/943380630.db2.gz YKVVERQXFXXRRL-HTAPYJJXSA-N 2 0 352.526 3.554 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423070338 943381459 /nfs/dbraw/zinc/38/14/59/943381459.db2.gz GADXYQKUQCICMX-JJRVBVJISA-N 2 0 354.897 3.633 20 0 FHADRP [NH3+]CC1CCC([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423072132 943381800 /nfs/dbraw/zinc/38/18/00/943381800.db2.gz PEYRWVKAGWKAHZ-PXCJXSSVSA-N 2 0 370.324 3.596 20 0 FHADRP Fc1cc(Br)cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000423052640 943384270 /nfs/dbraw/zinc/38/42/70/943384270.db2.gz QFSRZIYGNPAZNA-WFVVYAPDSA-N 2 0 353.279 3.912 20 0 FHADRP C[C@H]([NH2+][C@@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000423054297 943384958 /nfs/dbraw/zinc/38/49/58/943384958.db2.gz UGYWZPLYHBZXQJ-FDQGKXFDSA-N 2 0 351.332 3.748 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077877 943385771 /nfs/dbraw/zinc/38/57/71/943385771.db2.gz NCSVPWSLOCLITE-ZYSHUDEJSA-N 2 0 364.480 3.523 20 0 FHADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423079063 943386280 /nfs/dbraw/zinc/38/62/80/943386280.db2.gz PWFMPCFUKZVYNW-IYSOMAHNSA-N 2 0 364.489 3.610 20 0 FHADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080676 943386675 /nfs/dbraw/zinc/38/66/75/943386675.db2.gz ZUWCCMOQZDDYQK-LNRXMEIDSA-N 2 0 373.610 3.504 20 0 FHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000423096498 943392739 /nfs/dbraw/zinc/39/27/39/943392739.db2.gz PBHAPCBNZICEDH-ZWKOTPCHSA-N 2 0 350.384 3.905 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100957 943394433 /nfs/dbraw/zinc/39/44/33/943394433.db2.gz NDDPLCFLDLSDGQ-FJWRHQQOSA-N 2 0 369.336 3.986 20 0 FHADRP CCOc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435431042 943395516 /nfs/dbraw/zinc/39/55/16/943395516.db2.gz BKSSBKFNWYTABX-HNNXBMFYSA-N 2 0 360.420 3.600 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H](O)c1c(F)cccc1F ZINC000237131311 943396626 /nfs/dbraw/zinc/39/66/26/943396626.db2.gz ZIWFOEOOHZWPQP-LJQANCHMSA-N 2 0 362.464 3.746 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119733 943397200 /nfs/dbraw/zinc/39/72/00/943397200.db2.gz DMUOYWOEMLQZBS-DOMZBBRYSA-N 2 0 350.304 3.580 20 0 FHADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119860 943397213 /nfs/dbraw/zinc/39/72/13/943397213.db2.gz FPKWMNJHQCLXPE-RZFNWQHOSA-N 2 0 366.505 3.827 20 0 FHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124320 943398070 /nfs/dbraw/zinc/39/80/70/943398070.db2.gz OHPOYGUENCPBRI-GJZGRUSLSA-N 2 0 350.304 3.723 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000423125060 943398467 /nfs/dbraw/zinc/39/84/67/943398467.db2.gz HHEBHYNCYLSWDH-ITNCUTESSA-N 2 0 370.518 3.596 20 0 FHADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124780 943398524 /nfs/dbraw/zinc/39/85/24/943398524.db2.gz PCXCFSNLICQGFX-ANZJIFDASA-N 2 0 364.489 3.752 20 0 FHADRP C[C@H](CCc1ccccc1)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420370 943400625 /nfs/dbraw/zinc/40/06/25/943400625.db2.gz BUNGCGSYCMFKOC-TZIWHRDSSA-N 2 0 366.553 3.633 20 0 FHADRP COC(=O)c1cc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)oc1C ZINC000435421501 943401218 /nfs/dbraw/zinc/40/12/18/943401218.db2.gz JPDGZTXCAPQECI-GOSISDBHSA-N 2 0 374.506 3.580 20 0 FHADRP C[C@@H](CC1CCOCC1)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426615 943405801 /nfs/dbraw/zinc/40/58/01/943405801.db2.gz JAXWXYHMFJPMNL-FUHWJXTLSA-N 2 0 363.571 3.540 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423112749 943405859 /nfs/dbraw/zinc/40/58/59/943405859.db2.gz KHJOKQRSRYQDDM-NNMXDRDESA-N 2 0 368.452 3.667 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Br)cc3cccnc31)CC[NH2+]CC2 ZINC000514941890 943407885 /nfs/dbraw/zinc/40/78/85/943407885.db2.gz KBOHFRQQPMCUJN-CQSZACIVSA-N 2 0 374.326 3.961 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2O1 ZINC000423153424 943410826 /nfs/dbraw/zinc/41/08/26/943410826.db2.gz GMCHDTCDPQCLBY-UUIWEUTOSA-N 2 0 350.462 3.744 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423135166 943414739 /nfs/dbraw/zinc/41/47/39/943414739.db2.gz FHQAIDYLRZFSQX-NKKJXINNSA-N 2 0 365.565 3.837 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423137378 943415032 /nfs/dbraw/zinc/41/50/32/943415032.db2.gz WJBRBTVXLKSFOH-OCCSQVGLSA-N 2 0 370.946 3.690 20 0 FHADRP Cc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435437404 943415657 /nfs/dbraw/zinc/41/56/57/943415657.db2.gz KKVSYZLDTQSMBY-NRFANRHFSA-N 2 0 353.510 3.851 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423138990 943416377 /nfs/dbraw/zinc/41/63/77/943416377.db2.gz UTQGMCFXWJKDNX-SLFFLAALSA-N 2 0 374.598 3.954 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)c3ccccc23)CC[NH2+]CC1 ZINC000423171403 943425231 /nfs/dbraw/zinc/42/52/31/943425231.db2.gz OHZXZWMTTQSGRI-QGZVFWFLSA-N 2 0 354.494 3.559 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423179299 943428370 /nfs/dbraw/zinc/42/83/70/943428370.db2.gz LTLIMJFTYRQBHN-NSHDSACASA-N 2 0 350.721 3.593 20 0 FHADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264571 943455602 /nfs/dbraw/zinc/45/56/02/943455602.db2.gz ABOCIVGOFRZCJD-VPWXQRGCSA-N 2 0 364.555 3.571 20 0 FHADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(Br)o2)cc1 ZINC000423247055 943458907 /nfs/dbraw/zinc/45/89/07/943458907.db2.gz KPKSCYFQBXIHEH-SJCJKPOMSA-N 2 0 367.262 3.860 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256499 943461422 /nfs/dbraw/zinc/46/14/22/943461422.db2.gz FIEXNJXFFWZFOU-XJKSGUPXSA-N 2 0 353.304 3.642 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000423291568 943465655 /nfs/dbraw/zinc/46/56/55/943465655.db2.gz IWAIWRQBDIHPBS-JHVJFLLYSA-N 2 0 373.928 3.521 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000423310773 943471983 /nfs/dbraw/zinc/47/19/83/943471983.db2.gz OHRQXPDSDKDMMA-QGZVFWFLSA-N 2 0 351.494 3.622 20 0 FHADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C[C@H]([NH3+])C2CC2)nc1 ZINC000423315933 943473833 /nfs/dbraw/zinc/47/38/33/943473833.db2.gz JHJYAWSJWITLHF-RTWAWAEBSA-N 2 0 357.929 3.778 20 0 FHADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C[C@H]([NH3+])C2CC2)nc1 ZINC000423315936 943474066 /nfs/dbraw/zinc/47/40/66/943474066.db2.gz JHJYAWSJWITLHF-SFTDATJTSA-N 2 0 357.929 3.778 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423371176 943485792 /nfs/dbraw/zinc/48/57/92/943485792.db2.gz USOLPNCFDUKVDU-PKOBYXMFSA-N 2 0 364.493 3.706 20 0 FHADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000423354647 943488475 /nfs/dbraw/zinc/48/84/75/943488475.db2.gz NTCYVMPDJSGPKD-LAUBAEHRSA-N 2 0 359.558 3.687 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc(OC)cc2)cc1 ZINC000423368326 943493733 /nfs/dbraw/zinc/49/37/33/943493733.db2.gz RVKPBXHMYWQWLQ-DENIHFKCSA-N 2 0 354.494 3.719 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384078 943497569 /nfs/dbraw/zinc/49/75/69/943497569.db2.gz PWJPSNJNORVFJL-BVGQSLNGSA-N 2 0 367.331 3.647 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000423390222 943499428 /nfs/dbraw/zinc/49/94/28/943499428.db2.gz JWGQOODHAOCYLV-XYPHTWIQSA-N 2 0 355.320 3.504 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423376715 943503925 /nfs/dbraw/zinc/50/39/25/943503925.db2.gz YMHMAEYUZPXYTD-NXHRZFHOSA-N 2 0 350.478 3.566 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423422570 943505710 /nfs/dbraw/zinc/50/57/10/943505710.db2.gz BKNZVQFTZCVBGB-RYGJVYDSSA-N 2 0 358.530 3.599 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2ccc(OCc3ccccc3)cc2)CC[NH2+]CC1 ZINC000423404354 943508078 /nfs/dbraw/zinc/50/80/78/943508078.db2.gz YEGDVCJYDLBSBP-LJQANCHMSA-N 2 0 368.521 3.932 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423411509 943510431 /nfs/dbraw/zinc/51/04/31/943510431.db2.gz URTXLSGPLWEPRU-PKOBYXMFSA-N 2 0 350.934 3.972 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423435053 943518692 /nfs/dbraw/zinc/51/86/92/943518692.db2.gz ONTMECYREDFRKM-JFIYKMOQSA-N 2 0 352.494 3.942 20 0 FHADRP Brc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423438246 943519909 /nfs/dbraw/zinc/51/99/09/943519909.db2.gz QZPOVBSMLZZXQC-QXAKKESOSA-N 2 0 363.343 3.748 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423468987 943524108 /nfs/dbraw/zinc/52/41/08/943524108.db2.gz KCYSBFIJQHKMRT-MZMPZRCHSA-N 2 0 351.332 3.877 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423453355 943528071 /nfs/dbraw/zinc/52/80/71/943528071.db2.gz KMSSYKPSZDHYPL-MEDUHNTESA-N 2 0 355.251 3.988 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347270 943535107 /nfs/dbraw/zinc/53/51/07/943535107.db2.gz VQNIQDMLTOCEJS-NASSWSRMSA-N 2 0 370.562 3.987 20 0 FHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423495561 943537072 /nfs/dbraw/zinc/53/70/72/943537072.db2.gz UTYJPEMWVIIDJK-AXFHLTTASA-N 2 0 350.356 3.667 20 0 FHADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423529903 943538646 /nfs/dbraw/zinc/53/86/46/943538646.db2.gz QMLJJYCCVAHONT-BQZIBJORSA-N 2 0 362.558 3.632 20 0 FHADRP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414749489 943538692 /nfs/dbraw/zinc/53/86/92/943538692.db2.gz KDYWHVODLZYBFS-HXUWFJFHSA-N 2 0 354.494 3.848 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(C)c1 ZINC000423533778 943539963 /nfs/dbraw/zinc/53/99/63/943539963.db2.gz YMIVKRNHFSEFAP-QGBFRPGZSA-N 2 0 369.553 3.764 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)C1 ZINC000423533143 943540624 /nfs/dbraw/zinc/54/06/24/943540624.db2.gz WWJOVKVKBGRTPK-BJWHIEROSA-N 2 0 359.602 3.773 20 0 FHADRP COc1ccccc1[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423510636 943540664 /nfs/dbraw/zinc/54/06/64/943540664.db2.gz MVAOAASIWPEGHQ-YABDQXBESA-N 2 0 371.569 3.733 20 0 FHADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423524277 943546599 /nfs/dbraw/zinc/54/65/99/943546599.db2.gz WXXNQYUWUHUROT-FAFZWHIHSA-N 2 0 367.484 3.545 20 0 FHADRP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423537397 943551011 /nfs/dbraw/zinc/55/10/11/943551011.db2.gz CUTHGZAZLOTJBE-JYRKZWEQSA-N 2 0 355.913 3.997 20 0 FHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423537712 943551063 /nfs/dbraw/zinc/55/10/63/943551063.db2.gz KRSNYZQKFMKONN-VQIMIIECSA-N 2 0 362.489 3.734 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000423551799 943555045 /nfs/dbraw/zinc/55/50/45/943555045.db2.gz UGHHGVNDHBKHKB-BAYUQKDNSA-N 2 0 354.469 3.901 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000423551891 943555077 /nfs/dbraw/zinc/55/50/77/943555077.db2.gz URHQQSSVQCWAIC-CAVOSLQRSA-N 2 0 367.356 3.964 20 0 FHADRP NC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423579132 943562865 /nfs/dbraw/zinc/56/28/65/943562865.db2.gz VSMAKDWTOCYLFR-JOCHJYFZSA-N 2 0 367.512 3.786 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000423579361 943563106 /nfs/dbraw/zinc/56/31/06/943563106.db2.gz WAKSGZCMSGUJKB-KRWDZBQOSA-N 2 0 357.929 3.984 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1C[NH+]1CCCCC1 ZINC000187978937 943585040 /nfs/dbraw/zinc/58/50/40/943585040.db2.gz NPHJFENQHHJLAQ-UEXGIBASSA-N 2 0 360.542 3.883 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423904806 943643746 /nfs/dbraw/zinc/64/37/46/943643746.db2.gz ORBRQWSYDIFYSP-CMKODMSKSA-N 2 0 365.521 3.737 20 0 FHADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000584827564 943716904 /nfs/dbraw/zinc/71/69/04/943716904.db2.gz NXONSNWUUHNEFQ-QUCCMNQESA-N 2 0 371.550 3.837 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773975 943729365 /nfs/dbraw/zinc/72/93/65/943729365.db2.gz FAOCPYWZMOYLMY-HOTGVXAUSA-N 2 0 352.906 3.569 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424134851 943747103 /nfs/dbraw/zinc/74/71/03/943747103.db2.gz ODNUPRXKECTJDI-ICSRJNTNSA-N 2 0 351.579 3.835 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000424266541 943813402 /nfs/dbraw/zinc/81/34/02/943813402.db2.gz WXAKDSMVGPNPPG-PPULBPTMSA-N 2 0 372.553 3.589 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Br)c3cccnc13)CC[NH2+]CC2 ZINC000424292985 943823451 /nfs/dbraw/zinc/82/34/51/943823451.db2.gz PCWSXZHETCLEQA-CQSZACIVSA-N 2 0 374.326 3.961 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000424274423 943830549 /nfs/dbraw/zinc/83/05/49/943830549.db2.gz YWDZLLXUMGFJKF-JOIKAWEESA-N 2 0 358.526 3.596 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781179 943831525 /nfs/dbraw/zinc/83/15/25/943831525.db2.gz MQRZVGJNUFLWHM-HZPDHXFCSA-N 2 0 354.441 3.508 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@H](C[NH2+]C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417698604 943835568 /nfs/dbraw/zinc/83/55/68/943835568.db2.gz GSHMOZCLKLMEKI-RBUKOAKNSA-N 2 0 374.573 3.537 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785576 943880812 /nfs/dbraw/zinc/88/08/12/943880812.db2.gz SVGGZFPHGMAOOV-UXHICEINSA-N 2 0 351.494 3.579 20 0 FHADRP COC(=O)[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431996 943908335 /nfs/dbraw/zinc/90/83/35/943908335.db2.gz JKJSRQFFIZSCHT-YFVAEKQCSA-N 2 0 358.526 3.576 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424429438 943924125 /nfs/dbraw/zinc/92/41/25/943924125.db2.gz XAKMPORTEJEMJU-MSOLQXFVSA-N 2 0 366.509 3.580 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000424432969 943927299 /nfs/dbraw/zinc/92/72/99/943927299.db2.gz HWSMBSVCKBWEGD-GOSISDBHSA-N 2 0 372.557 3.962 20 0 FHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033938 943930026 /nfs/dbraw/zinc/93/00/26/943930026.db2.gz PTQMOJMGARDEAV-INIZCTEOSA-N 2 0 352.544 3.542 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789234 943930447 /nfs/dbraw/zinc/93/04/47/943930447.db2.gz YDRJZFNWJKDFDE-OALUTQOASA-N 2 0 352.526 3.817 20 0 FHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000893327428 943994479 /nfs/dbraw/zinc/99/44/79/943994479.db2.gz JGLPKQNOSOSLMP-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP CCOc1cccc2cc([C@@H](C)Nc3ccc(N4CC[NH2+]CC4)cn3)oc21 ZINC000517123114 944028173 /nfs/dbraw/zinc/02/81/73/944028173.db2.gz SCLRWHHWKRPISO-OAHLLOKOSA-N 2 0 366.465 3.809 20 0 FHADRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647937263 944030836 /nfs/dbraw/zinc/03/08/36/944030836.db2.gz URCUEGNCGSKJDQ-DYESRHJHSA-N 2 0 367.493 3.867 20 0 FHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000505136575 944065951 /nfs/dbraw/zinc/06/59/51/944065951.db2.gz SKQZMFZIXGIEEI-NHCUHLMSSA-N 2 0 359.558 3.524 20 0 FHADRP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894812 944092773 /nfs/dbraw/zinc/09/27/73/944092773.db2.gz HLUQSSMVVFUCMF-CZTZKLFOSA-N 2 0 369.509 3.583 20 0 FHADRP OC1(C[NH2+]Cc2cccc(C(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397696285 944097788 /nfs/dbraw/zinc/09/77/88/944097788.db2.gz SDBVDZYMHOODHK-UHFFFAOYSA-N 2 0 360.448 3.741 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000500126466 944141531 /nfs/dbraw/zinc/14/15/31/944141531.db2.gz AHGUGCGAKQHZIQ-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436400515 944276758 /nfs/dbraw/zinc/27/67/58/944276758.db2.gz KPAIGGXAILTGPK-UEVCKROQSA-N 2 0 350.506 3.679 20 0 FHADRP CCCC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000101659291 944324332 /nfs/dbraw/zinc/32/43/32/944324332.db2.gz WZBFHZIMWVULPF-UHFFFAOYSA-N 2 0 359.558 3.911 20 0 FHADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921403 944324917 /nfs/dbraw/zinc/32/49/17/944324917.db2.gz FOANVRZBWJANDK-NWDGAFQWSA-N 2 0 351.210 3.827 20 0 FHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000515909540 944325394 /nfs/dbraw/zinc/32/53/94/944325394.db2.gz XWGIOVPWNPYDHX-LJQANCHMSA-N 2 0 358.457 3.552 20 0 FHADRP Clc1ccccc1N1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000436471435 944351474 /nfs/dbraw/zinc/35/14/74/944351474.db2.gz RZVIYYGGMRTJGF-SFHVURJKSA-N 2 0 370.928 3.962 20 0 FHADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000550180376 944360055 /nfs/dbraw/zinc/36/00/55/944360055.db2.gz BLGIUZJJAAEXQT-UWJYYQICSA-N 2 0 362.477 3.632 20 0 FHADRP CCc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000517537317 944383435 /nfs/dbraw/zinc/38/34/35/944383435.db2.gz OADCPBBVTJWGGR-NRFANRHFSA-N 2 0 357.567 3.779 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000426303195 944417132 /nfs/dbraw/zinc/41/71/32/944417132.db2.gz WSYWYZJQTOPYDX-IEBWSBKVSA-N 2 0 371.500 3.696 20 0 FHADRP FC(F)(F)c1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000500290343 944432299 /nfs/dbraw/zinc/43/22/99/944432299.db2.gz SKSZTTINXFHFOU-UHFFFAOYSA-N 2 0 356.432 3.892 20 0 FHADRP COc1cc2c(cc1OC)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167978136 944435613 /nfs/dbraw/zinc/43/56/13/944435613.db2.gz KMQPWWJJCMSKQL-UDEWTMQYSA-N 2 0 370.537 3.556 20 0 FHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167978652 944444674 /nfs/dbraw/zinc/44/46/74/944444674.db2.gz QGLURVBIWIVETN-LEKVTHMOSA-N 3 0 368.569 3.559 20 0 FHADRP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000390552978 944446506 /nfs/dbraw/zinc/44/65/06/944446506.db2.gz DVXOITURFOVLPB-NRFANRHFSA-N 2 0 365.565 3.804 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000426323221 944456461 /nfs/dbraw/zinc/45/64/61/944456461.db2.gz BUPAVVBZTDXJLB-MJGOQNOKSA-N 2 0 371.500 3.696 20 0 FHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000311255395 944458943 /nfs/dbraw/zinc/45/89/43/944458943.db2.gz DAZVIOSFUCFKHJ-QRVBRYPASA-N 2 0 367.578 3.876 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418357548 944463182 /nfs/dbraw/zinc/46/31/82/944463182.db2.gz QWQFBVZTCDYANJ-LEWJYISDSA-N 2 0 368.525 3.589 20 0 FHADRP Fc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167964230 944470557 /nfs/dbraw/zinc/47/05/57/944470557.db2.gz NWMKUKZCVYDOOS-IHWFROFDSA-N 2 0 372.528 3.869 20 0 FHADRP COc1ccc2c(c1)SC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167981992 944492623 /nfs/dbraw/zinc/49/26/23/944492623.db2.gz RWAGHHZCWAURDU-MSRNWOCLSA-N 2 0 358.551 3.707 20 0 FHADRP COc1cccc2c1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CS2 ZINC001167982053 944493619 /nfs/dbraw/zinc/49/36/19/944493619.db2.gz UUFFRXFCDYUMTJ-XFYFCPPXSA-N 2 0 358.551 3.707 20 0 FHADRP O=C([C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1)N1CCCCC1 ZINC000517709643 944514051 /nfs/dbraw/zinc/51/40/51/944514051.db2.gz ORXZXRAPSPSADF-QFIPXVFZSA-N 2 0 371.569 3.986 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414995411 944537273 /nfs/dbraw/zinc/53/72/73/944537273.db2.gz FOZVRQKXNXTCFH-HKUYNNGSSA-N 2 0 360.933 3.809 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414995476 944538143 /nfs/dbraw/zinc/53/81/43/944538143.db2.gz FSQWIYGHPRJPDA-GWCFXTLKSA-N 2 0 363.246 3.658 20 0 FHADRP c1ccc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964330 944542509 /nfs/dbraw/zinc/54/25/09/944542509.db2.gz PCRYJVQTHCPMMC-GTCWDNOESA-N 2 0 353.554 3.646 20 0 FHADRP Cc1cc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000516175894 944559445 /nfs/dbraw/zinc/55/94/45/944559445.db2.gz XDJDTFUZXQKYMN-YESZJQIVSA-N 2 0 368.949 3.584 20 0 FHADRP COc1cc(Br)ccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000550263136 944621642 /nfs/dbraw/zinc/62/16/42/944621642.db2.gz HSJADSGIWSBXEG-UHFFFAOYSA-N 2 0 355.320 3.813 20 0 FHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000518720001 944645389 /nfs/dbraw/zinc/64/53/89/944645389.db2.gz OYGLNFSIFKRWKK-NRFANRHFSA-N 2 0 374.573 3.592 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727227 944657000 /nfs/dbraw/zinc/65/70/00/944657000.db2.gz AQRIBAXHUIQWSN-DLBZAZTESA-N 2 0 363.552 3.590 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000112341118 944687496 /nfs/dbraw/zinc/68/74/96/944687496.db2.gz IPIFKSLWLKAUFH-OAHLLOKOSA-N 2 0 367.331 3.554 20 0 FHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414933306 944722890 /nfs/dbraw/zinc/72/28/90/944722890.db2.gz DPOKILMKVGZBIS-MAUKXSAKSA-N 2 0 352.507 3.688 20 0 FHADRP Cc1nc2ccc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2s1 ZINC000426412535 944726690 /nfs/dbraw/zinc/72/66/90/944726690.db2.gz PPXOJNKGQZQQNP-HZPDHXFCSA-N 2 0 373.566 3.926 20 0 FHADRP c1ccc(OC2CCCC2)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000506913102 944740426 /nfs/dbraw/zinc/74/04/26/944740426.db2.gz WRNOTTYKOYWAIK-UHFFFAOYSA-N 2 0 358.526 3.552 20 0 FHADRP CCOc1c(C[NH+]2CCC(C[NH+](CC)CC)CC2)c(C)nn1CC(C)C ZINC000506929903 944767443 /nfs/dbraw/zinc/76/74/43/944767443.db2.gz UPXMQIZWYMDSIG-UHFFFAOYSA-N 2 0 364.578 3.800 20 0 FHADRP CCCC[C@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)N(CC)CC)CC2 ZINC001280170187 944790167 /nfs/dbraw/zinc/79/01/67/944790167.db2.gz SULOGZKOOZWTOU-FQEVSTJZSA-N 2 0 365.606 3.859 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445027 944824901 /nfs/dbraw/zinc/82/49/01/944824901.db2.gz KUGRDMFTRVIQLO-PMACEKPBSA-N 2 0 363.590 3.612 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836222 944855278 /nfs/dbraw/zinc/85/52/78/944855278.db2.gz UTUYVLSCCGYBJQ-FPOVZHCZSA-N 2 0 371.569 3.525 20 0 FHADRP C[N@H+](CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000511669892 944895901 /nfs/dbraw/zinc/89/59/01/944895901.db2.gz YVIZOCNJHAOJEA-UHFFFAOYSA-N 2 0 371.569 3.669 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000511695080 944908843 /nfs/dbraw/zinc/90/88/43/944908843.db2.gz GKKCTABHRKVBJB-RTBURBONSA-N 2 0 359.558 3.769 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414943134 944935906 /nfs/dbraw/zinc/93/59/06/944935906.db2.gz NKTRVABFSDWOPE-GCJKJVERSA-N 2 0 360.505 3.935 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CSC)c2)[C@@H](C)C1 ZINC000437070122 945003792 /nfs/dbraw/zinc/00/37/92/945003792.db2.gz ALVIHMUPKQSCOD-PXNSSMCTSA-N 2 0 350.572 3.776 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000518086038 945005075 /nfs/dbraw/zinc/00/50/75/945005075.db2.gz SGDDFXKVJZNDMR-KDURUIRLSA-N 2 0 374.573 3.591 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000437101224 945020047 /nfs/dbraw/zinc/02/00/47/945020047.db2.gz YNQRWEVSVREIQI-MOPGFXCFSA-N 2 0 367.537 3.586 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)c1 ZINC000426150274 945026276 /nfs/dbraw/zinc/02/62/76/945026276.db2.gz SQANXJJFGPCGGQ-KRWDZBQOSA-N 2 0 356.510 3.963 20 0 FHADRP c1ccc(C(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000507217564 945050406 /nfs/dbraw/zinc/05/04/06/945050406.db2.gz XLEKNPDLEPIOKF-UHFFFAOYSA-N 2 0 364.533 3.863 20 0 FHADRP CC[NH+](CC)Cc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)ccc1OC ZINC001167986614 945412676 /nfs/dbraw/zinc/41/26/76/945412676.db2.gz BVRWPHNRUMHSMI-UHFFFAOYSA-N 2 0 367.493 3.688 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000519466561 945444060 /nfs/dbraw/zinc/44/40/60/945444060.db2.gz MAUWFPGABPYBMS-UHFFFAOYSA-N 2 0 373.463 3.870 20 0 FHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000519477364 945461704 /nfs/dbraw/zinc/46/17/04/945461704.db2.gz RXIZSSKZOBPRCO-UHFFFAOYSA-N 2 0 370.493 3.550 20 0 FHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000280960125 945479765 /nfs/dbraw/zinc/47/97/65/945479765.db2.gz USDDARRQGNIEGU-MDASCCDHSA-N 2 0 370.459 3.604 20 0 FHADRP COc1ccccc1/C=C/C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507713934 945488092 /nfs/dbraw/zinc/48/80/92/945488092.db2.gz MRUUVNKKIPXEAE-VMPITWQZSA-N 2 0 358.526 3.533 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000246837600 945566682 /nfs/dbraw/zinc/56/66/82/945566682.db2.gz ATVNBQKSZVSZMH-IMRHEYAYSA-N 2 0 365.521 3.968 20 0 FHADRP c1nnn(-c2ccccc2)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000651670104 945581291 /nfs/dbraw/zinc/58/12/91/945581291.db2.gz WCAGVIAJWKUIAU-UHFFFAOYSA-N 2 0 361.493 3.543 20 0 FHADRP COC1CC[NH+](C2(CNc3cc[nH+]c4ccc(C)cc34)CCCC2)CC1 ZINC000546180357 945653548 /nfs/dbraw/zinc/65/35/48/945653548.db2.gz BYYUVXPIRKZNFE-UHFFFAOYSA-N 2 0 353.510 3.801 20 0 FHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519694026 945667104 /nfs/dbraw/zinc/66/71/04/945667104.db2.gz UWICRLHGRMVRAX-QZTJIDSGSA-N 2 0 359.558 3.835 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612725 945707374 /nfs/dbraw/zinc/70/73/74/945707374.db2.gz NSSRFXWKGADHDC-GOEBONIOSA-N 2 0 366.431 3.819 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@@H](C)C1 ZINC000544373827 945750381 /nfs/dbraw/zinc/75/03/81/945750381.db2.gz UCLCMSPHLHGMPA-GUYCJALGSA-N 2 0 364.331 3.793 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000111043920 945808890 /nfs/dbraw/zinc/80/88/90/945808890.db2.gz FYZJQJMBKOJGJB-RTBURBONSA-N 2 0 359.539 3.550 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111101521 945828543 /nfs/dbraw/zinc/82/85/43/945828543.db2.gz LQENSMUMPIXTLP-OAQYLSRUSA-N 2 0 359.558 3.698 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CCC2 ZINC000192635117 945837162 /nfs/dbraw/zinc/83/71/62/945837162.db2.gz WIAICTCJPMJMND-SFHVURJKSA-N 2 0 370.493 3.994 20 0 FHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](CC)c1ccccc1 ZINC000519906489 945870973 /nfs/dbraw/zinc/87/09/73/945870973.db2.gz FODQASJCOZKAEE-NRFANRHFSA-N 2 0 357.542 3.593 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000415977353 945941006 /nfs/dbraw/zinc/94/10/06/945941006.db2.gz XOBQPQBJKBWDPE-IBGZPJMESA-N 2 0 358.530 3.526 20 0 FHADRP C[C@H]1CC(N2CC[NH+](C3CCCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051017 945969288 /nfs/dbraw/zinc/96/92/88/945969288.db2.gz FGQFLCOOOPBXQL-PMACEKPBSA-N 2 0 355.570 3.988 20 0 FHADRP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000651809724 945997699 /nfs/dbraw/zinc/99/76/99/945997699.db2.gz FRSDVPMRFMQXSL-FQEVSTJZSA-N 2 0 352.526 3.653 20 0 FHADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000549544459 946007591 /nfs/dbraw/zinc/00/75/91/946007591.db2.gz GZYZHNOWIHIONJ-UHFFFAOYSA-N 2 0 372.601 3.617 20 0 FHADRP Cc1cc(Cl)nc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000281977957 946022654 /nfs/dbraw/zinc/02/26/54/946022654.db2.gz KMPXADGRUSPCBS-UHFFFAOYSA-N 2 0 372.944 3.864 20 0 FHADRP CC1(C)C[NH+](C/C=C/C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)[C@@H]2CCC[C@H]2O1 ZINC000440946272 946042003 /nfs/dbraw/zinc/04/20/03/946042003.db2.gz UHJBJDPLMONNIG-FGAQLQNGSA-N 2 0 362.558 3.606 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000301982144 946065318 /nfs/dbraw/zinc/06/53/18/946065318.db2.gz AFRZDCUPQZKNJE-INIZCTEOSA-N 2 0 353.510 3.795 20 0 FHADRP Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301985918 946065980 /nfs/dbraw/zinc/06/59/80/946065980.db2.gz LZLFSVVECKRSJK-HDICACEKSA-N 2 0 353.510 3.869 20 0 FHADRP Cc1nc(C2CC[NH+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)no1 ZINC001168053291 946207772 /nfs/dbraw/zinc/20/77/72/946207772.db2.gz NCWDXQXUSTWQKB-IAGOWNOFSA-N 2 0 368.525 3.999 20 0 FHADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000520211508 946275662 /nfs/dbraw/zinc/27/56/62/946275662.db2.gz UHKQMMGHNUDJEH-UHFFFAOYSA-N 2 0 355.501 3.826 20 0 FHADRP CCn1nc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000473117145 946297563 /nfs/dbraw/zinc/29/75/63/946297563.db2.gz AHRNKOUFJRMRCP-UHFFFAOYSA-N 2 0 363.509 3.800 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000549553114 946325334 /nfs/dbraw/zinc/32/53/34/946325334.db2.gz RAKMLVIRGLTYLJ-BVSLBCMMSA-N 2 0 371.569 3.639 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc2ccccc21 ZINC000441250396 946345234 /nfs/dbraw/zinc/34/52/34/946345234.db2.gz QMFOWGWYRATSPK-UNWVZKJWSA-N 2 0 368.521 3.792 20 0 FHADRP C[C@@H]1CC(N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067327 946356677 /nfs/dbraw/zinc/35/66/77/946356677.db2.gz TYYBJOURNCFNIU-VKGYTVAMSA-N 2 0 373.560 3.936 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652148999 946386180 /nfs/dbraw/zinc/38/61/80/946386180.db2.gz OAZCMSSXWVYYHR-GOSISDBHSA-N 2 0 364.530 3.875 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652149000 946386570 /nfs/dbraw/zinc/38/65/70/946386570.db2.gz OAZCMSSXWVYYHR-SFHVURJKSA-N 2 0 364.530 3.875 20 0 FHADRP c1cncc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CCCCC2)c1 ZINC000652153410 946392928 /nfs/dbraw/zinc/39/29/28/946392928.db2.gz IQXLFGLEDLZEEJ-XMSQKQJNSA-N 2 0 357.542 3.794 20 0 FHADRP Cc1ccc2[nH]c(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cc2c1C ZINC000473130811 946409426 /nfs/dbraw/zinc/40/94/26/946409426.db2.gz DMHSQTUYEXSLIB-UHFFFAOYSA-N 2 0 368.569 3.775 20 0 FHADRP C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488941 946432019 /nfs/dbraw/zinc/43/20/19/946432019.db2.gz VTUOAZOIJYNXCT-XLAORIBOSA-N 2 0 365.562 3.532 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1(C)C ZINC000441328525 946456939 /nfs/dbraw/zinc/45/69/39/946456939.db2.gz IBUHONQWIVUZPP-UHFFFAOYSA-N 2 0 355.501 3.608 20 0 FHADRP C[NH+](C)CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000520366508 946467255 /nfs/dbraw/zinc/46/72/55/946467255.db2.gz RGYYKYQEVKRIHW-UHFFFAOYSA-N 2 0 371.569 3.622 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432229948 946488036 /nfs/dbraw/zinc/48/80/36/946488036.db2.gz WIVMMMJIWABFNS-UHFFFAOYSA-N 2 0 350.359 3.562 20 0 FHADRP CCOC(=O)NC1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056674 946493799 /nfs/dbraw/zinc/49/37/99/946493799.db2.gz HQWCKEHWOMFSKU-RMFSNUHRSA-N 2 0 373.541 3.639 20 0 FHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000520365033 946501177 /nfs/dbraw/zinc/50/11/77/946501177.db2.gz HCWSVQPXZXNGRY-SFHVURJKSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396832 946559882 /nfs/dbraw/zinc/55/98/82/946559882.db2.gz OTIKHZARLMNCMA-AEFFLSMTSA-N 2 0 372.475 3.711 20 0 FHADRP CCOc1cc(CNC2CC([NH+]3CCCCC3)C2)ccc1OC(F)F ZINC000475549152 946619456 /nfs/dbraw/zinc/61/94/56/946619456.db2.gz DMVIJKIEEQNCAW-UHFFFAOYSA-N 2 0 354.441 3.793 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561372 946662061 /nfs/dbraw/zinc/66/20/61/946662061.db2.gz YFBQAYNGVXRIDZ-XNOWSJKESA-N 3 0 367.581 3.894 20 0 FHADRP C[C@@H]1CC([NH+]2CCC(N3CCCC3=O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059363 946691953 /nfs/dbraw/zinc/69/19/53/946691953.db2.gz TWHKKJACLWEQPE-RTBURBONSA-N 2 0 369.553 3.515 20 0 FHADRP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)C(C)C ZINC000112658362 946712816 /nfs/dbraw/zinc/71/28/16/946712816.db2.gz IKWHQHVTDISWKI-QGZVFWFLSA-N 2 0 363.571 3.540 20 0 FHADRP Cc1cccc(C)c1OCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000112731258 946733683 /nfs/dbraw/zinc/73/36/83/946733683.db2.gz LOXIFZNDZAGUGX-SZPZYZBQSA-N 2 0 373.585 3.563 20 0 FHADRP COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059904 946744049 /nfs/dbraw/zinc/74/40/49/946744049.db2.gz HKPMYTMAYHXNSY-NRVIEEGESA-N 2 0 358.526 3.559 20 0 FHADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475287417 946825300 /nfs/dbraw/zinc/82/53/00/946825300.db2.gz OJADNISDQUYALF-ICSRJNTNSA-N 2 0 362.521 3.996 20 0 FHADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337194 946836460 /nfs/dbraw/zinc/83/64/60/946836460.db2.gz RGUMRUAFUOOSMB-UHFFFAOYSA-N 2 0 360.505 3.787 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000652346075 946872057 /nfs/dbraw/zinc/87/20/57/946872057.db2.gz SUXGUVDNEICHSH-IRFCIJBXSA-N 2 0 358.526 3.533 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347417 946885852 /nfs/dbraw/zinc/88/58/52/946885852.db2.gz AMTCRRLDEIGSLV-MIZPHKNDSA-N 2 0 368.521 3.827 20 0 FHADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001167994861 946890812 /nfs/dbraw/zinc/89/08/12/946890812.db2.gz QCEKVYALXXUQHH-RTBURBONSA-N 2 0 356.445 3.644 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000652355498 946916550 /nfs/dbraw/zinc/91/65/50/946916550.db2.gz ZKNDNEVGIZOJGZ-LAUBAEHRSA-N 2 0 351.494 3.888 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2cccc3ccccc32)C1 ZINC000652362341 946930583 /nfs/dbraw/zinc/93/05/83/946930583.db2.gz FBIMYXBIPVRNKI-KAGYGMCKSA-N 2 0 354.494 3.579 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417973424 946961217 /nfs/dbraw/zinc/96/12/17/946961217.db2.gz CKXMJXQAGWVKQA-ZRBLBEILSA-N 2 0 350.506 3.537 20 0 FHADRP O=C1OC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c2ccccc21 ZINC001167995694 946998715 /nfs/dbraw/zinc/99/87/15/946998715.db2.gz OHHGCTARHKPJAD-DFNIBXOVSA-N 2 0 366.505 3.554 20 0 FHADRP CC[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987688 947133803 /nfs/dbraw/zinc/13/38/03/947133803.db2.gz MAZOTSFICWMWLD-GGAORHGYSA-N 2 0 357.586 3.918 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1OCC ZINC000301442541 947345269 /nfs/dbraw/zinc/34/52/69/947345269.db2.gz WJDAALZKQWMJGO-CVEARBPZSA-N 2 0 355.482 3.705 20 0 FHADRP Clc1ccc(C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279146297 947346815 /nfs/dbraw/zinc/34/68/15/947346815.db2.gz RGFYJWASRYTBHO-UHFFFAOYSA-N 2 0 358.917 3.525 20 0 FHADRP O[C@H]1CC[N@@H+](C2CC[NH+](CCCCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000662146867 947370535 /nfs/dbraw/zinc/37/05/35/947370535.db2.gz CCQFBHSWZMHWNC-KRWDZBQOSA-N 2 0 371.352 3.847 20 0 FHADRP Fc1cccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)c1 ZINC000662253332 947674517 /nfs/dbraw/zinc/67/45/17/947674517.db2.gz JCWUIDBQJCTCOF-NRFANRHFSA-N 2 0 354.469 3.653 20 0 FHADRP COc1cccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]2CCCO2)c1 ZINC000662252557 947674562 /nfs/dbraw/zinc/67/45/62/947674562.db2.gz AJWMTXGFNYLJGI-QFIPXVFZSA-N 2 0 366.505 3.522 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290228 947712320 /nfs/dbraw/zinc/71/23/20/947712320.db2.gz BKJFFRAGZWMLIZ-DOTOQJQBSA-N 2 0 363.933 3.687 20 0 FHADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291261 947713570 /nfs/dbraw/zinc/71/35/70/947713570.db2.gz QWEBNLYCFFBXIB-WMZOPIPTSA-N 2 0 354.498 3.818 20 0 FHADRP CC[NH+](CC)CCSCC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000428401402 947746518 /nfs/dbraw/zinc/74/65/18/947746518.db2.gz QHIJGFAEVMWIFI-UHFFFAOYSA-N 2 0 363.571 3.604 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000662412007 947783676 /nfs/dbraw/zinc/78/36/76/947783676.db2.gz ZPTGDZJBPXCEKQ-IFMALSPDSA-N 2 0 365.521 3.618 20 0 FHADRP Fc1cccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000663344098 947807627 /nfs/dbraw/zinc/80/76/27/947807627.db2.gz OCNNEDAYAPAOFU-AWEZNQCLSA-N 2 0 355.295 3.800 20 0 FHADRP CCC(CC)(CNC(=O)c1cccc2c1C[NH2+]C2)[NH2+][C@@H](C)c1ccccc1 ZINC000662453691 947824225 /nfs/dbraw/zinc/82/42/25/947824225.db2.gz DFIZBTXJMQVLRI-KRWDZBQOSA-N 2 0 365.521 3.929 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000662467806 947832798 /nfs/dbraw/zinc/83/27/98/947832798.db2.gz GTTAFJLOLKQITI-GIVPXCGWSA-N 2 0 359.558 3.509 20 0 FHADRP Cc1ccc2cc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000189811415 947841873 /nfs/dbraw/zinc/84/18/73/947841873.db2.gz VQTDLNHFXQOSCB-KDURUIRLSA-N 2 0 367.537 3.864 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000165288215 947874847 /nfs/dbraw/zinc/87/48/47/947874847.db2.gz CNIGUUSBWVFFAW-GHTZIAJQSA-N 2 0 365.521 3.860 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([S@@](C)=O)cc1 ZINC000165321578 947890126 /nfs/dbraw/zinc/89/01/26/947890126.db2.gz CIKNKKMBIKVCEM-GCOVDLRRSA-N 2 0 370.562 3.639 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662590690 947917994 /nfs/dbraw/zinc/91/79/94/947917994.db2.gz SLIGYDKIKORAJY-JOCHJYFZSA-N 2 0 371.569 3.770 20 0 FHADRP CC1CC[NH+](Cc2ccc(NC(=O)c3cccc4c3CC[NH2+]C4)cc2)CC1 ZINC000662676236 947973313 /nfs/dbraw/zinc/97/33/13/947973313.db2.gz TUVRBZUOVSGRNO-UHFFFAOYSA-N 2 0 363.505 3.817 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675353 947974996 /nfs/dbraw/zinc/97/49/96/947974996.db2.gz LXTQXOMZSMUNGI-KBXCAEBGSA-N 2 0 369.431 3.542 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000662675356 947976474 /nfs/dbraw/zinc/97/64/74/947976474.db2.gz LXTQXOMZSMUNGI-RDTXWAMCSA-N 2 0 369.431 3.542 20 0 FHADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cccc2c1CC[NH2+]C2 ZINC000662691447 947987536 /nfs/dbraw/zinc/98/75/36/947987536.db2.gz IBINGQWUYQTEKC-UHFFFAOYSA-N 2 0 363.505 3.613 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466594 948058720 /nfs/dbraw/zinc/05/87/20/948058720.db2.gz VXYKBFLVVRGSQU-JLLPCOHGSA-N 2 0 367.581 3.894 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1ccccc1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001167821182 948075800 /nfs/dbraw/zinc/07/58/00/948075800.db2.gz CGZZURFPUUFBMQ-KSEOMHKRSA-N 2 0 359.558 3.525 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001167822231 948087162 /nfs/dbraw/zinc/08/71/62/948087162.db2.gz HUNFPQIOMBCXEL-ICSRJNTNSA-N 2 0 352.563 3.547 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823763 948102880 /nfs/dbraw/zinc/10/28/80/948102880.db2.gz AABUVKFDSNKVBZ-KBPBESRZSA-N 2 0 362.440 3.778 20 0 FHADRP CCC(C)(C)C1CCC([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CC1 ZINC000663505491 948123846 /nfs/dbraw/zinc/12/38/46/948123846.db2.gz JAPNESOUDLVFHF-UHFFFAOYSA-N 2 0 351.579 3.562 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825575 948124010 /nfs/dbraw/zinc/12/40/10/948124010.db2.gz RPXCNEDBQBAGSI-ACIOBRDBSA-N 3 0 357.586 3.869 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001167826580 948131516 /nfs/dbraw/zinc/13/15/16/948131516.db2.gz QPXKYSKVWAHSDN-LJQANCHMSA-N 2 0 373.541 3.988 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+]2C[C@@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001167826741 948136160 /nfs/dbraw/zinc/13/61/60/948136160.db2.gz QXEQXGBMKHCLQP-XJUOHMSHSA-N 2 0 373.585 3.643 20 0 FHADRP CC[C@H]1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)CCN1C(=O)OC(C)(C)C ZINC001167827288 948141702 /nfs/dbraw/zinc/14/17/02/948141702.db2.gz VQQYSPOOPSQDEF-MSOLQXFVSA-N 2 0 355.567 3.828 20 0 FHADRP C[NH+]1CCC(C[NH2+]C/C=C/c2ccc(F)c(F)c2)(N2CCCCC2)CC1 ZINC000512005223 948165292 /nfs/dbraw/zinc/16/52/92/948165292.db2.gz GHLWEKSAITYJKY-AATRIKPKSA-N 2 0 363.496 3.518 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)cc1 ZINC000512025298 948217629 /nfs/dbraw/zinc/21/76/29/948217629.db2.gz LZANHNXHPULJPT-HXUWFJFHSA-N 2 0 359.558 3.769 20 0 FHADRP c1ncn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1C[NH2+]Cc1ccccc1 ZINC001168003259 948289418 /nfs/dbraw/zinc/28/94/18/948289418.db2.gz MILOLXDWZFEOND-WCRBZPEASA-N 2 0 350.510 3.751 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001167837777 948311377 /nfs/dbraw/zinc/31/13/77/948311377.db2.gz MOCDMMBVQZTVFH-XWSJACJDSA-N 2 0 352.563 3.939 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC[C@@H](COC(C)=O)C2)CC1 ZINC001167839882 948320388 /nfs/dbraw/zinc/32/03/88/948320388.db2.gz CJOLTKVRVSSQKU-UYAOXDASSA-N 2 0 352.563 3.942 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001167840117 948325976 /nfs/dbraw/zinc/32/59/76/948325976.db2.gz DVWSUIWTRUWGOR-SFHVURJKSA-N 2 0 369.557 3.699 20 0 FHADRP CCOC(=O)c1coc(C2CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC2)n1 ZINC001167841001 948346564 /nfs/dbraw/zinc/34/65/64/948346564.db2.gz JEJBBBZTZZRLNO-MRXNPFEDSA-N 2 0 365.518 3.541 20 0 FHADRP O[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166851008 948355010 /nfs/dbraw/zinc/35/50/10/948355010.db2.gz JCQKMWRTTVWRIJ-XPNTWCBSSA-N 2 0 366.505 3.515 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001167842865 948396185 /nfs/dbraw/zinc/39/61/85/948396185.db2.gz ZJFFWYOJNXJHKA-KRWDZBQOSA-N 2 0 365.949 3.608 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005987 948548969 /nfs/dbraw/zinc/54/89/69/948548969.db2.gz LXYCOMUPURKJJA-IZZQQSIFSA-N 2 0 361.530 3.542 20 0 FHADRP c1ccc(CC2CC[NH+](CCCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247155752 948554317 /nfs/dbraw/zinc/55/43/17/948554317.db2.gz XMHCUKQOHFUEBE-RPWUZVMVSA-N 3 0 369.597 3.938 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185026321 948724557 /nfs/dbraw/zinc/72/45/57/948724557.db2.gz KNYNFUWCGBHEFX-QGZVFWFLSA-N 2 0 371.529 3.552 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008164 948737986 /nfs/dbraw/zinc/73/79/86/948737986.db2.gz WEDHYPRGCZKPIT-RMFSNUHRSA-N 2 0 366.505 3.989 20 0 FHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2OC2CCCC2)C[C@H](C)O1 ZINC000062252792 567943086 /nfs/dbraw/zinc/94/30/86/567943086.db2.gz MVVOZOBXQTWIQE-OALUTQOASA-N 2 0 360.542 3.987 20 0 FHADRP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000602277236 567962540 /nfs/dbraw/zinc/96/25/40/567962540.db2.gz FZKZBOMIXOQEMM-LJQANCHMSA-N 2 0 353.510 3.513 20 0 FHADRP COc1ccc(COCCN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711630 568137900 /nfs/dbraw/zinc/13/79/00/568137900.db2.gz DNZUUIOWOULHJD-CTNGQTDRSA-N 2 0 360.542 3.798 20 0 FHADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(OCc4cccc(F)c4)cc3)C2)C1 ZINC000644843042 568186089 /nfs/dbraw/zinc/18/60/89/568186089.db2.gz HMFLPKLLFJVWGQ-JOCHJYFZSA-N 2 0 354.469 3.932 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000604418124 568276241 /nfs/dbraw/zinc/27/62/41/568276241.db2.gz HVYGZBDZZBGYSD-YJBOKZPZSA-N 2 0 374.447 3.812 20 0 FHADRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000365267051 568387390 /nfs/dbraw/zinc/38/73/90/568387390.db2.gz MSOUWQLVCTYQEA-UHFFFAOYSA-N 2 0 363.465 3.821 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@H]2CCc3ccccc3C2)cc1 ZINC000605008823 568515990 /nfs/dbraw/zinc/51/59/90/568515990.db2.gz XHSJFDFDPUDBOI-FQEVSTJZSA-N 2 0 352.522 3.912 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]21 ZINC001165026584 721802148 /nfs/dbraw/zinc/80/21/48/721802148.db2.gz RHLZPJDUZKBEGD-OZOXKJRCSA-N 2 0 361.493 3.695 20 0 FHADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001165025643 721826246 /nfs/dbraw/zinc/82/62/46/721826246.db2.gz NFDBMBIJAGCCTF-JBACZVJFSA-N 2 0 350.510 3.830 20 0 FHADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001164937017 721913297 /nfs/dbraw/zinc/91/32/97/721913297.db2.gz FQNLVIGMXNMTSN-HDICACEKSA-N 2 0 354.523 3.597 20 0 FHADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2[nH+]ccc4[nH]ccc42)C3)c1 ZINC001164995489 722192797 /nfs/dbraw/zinc/19/27/97/722192797.db2.gz VFFWJPZCVYGLKA-OAQYLSRUSA-N 2 0 350.441 3.947 20 0 FHADRP CC(C)(C)OC(=O)C1(Nc2cccc(C3=[NH+]CCC3)c2)CCC([NH3+])CC1 ZINC001167643899 936340678 /nfs/dbraw/zinc/34/06/78/936340678.db2.gz PDGSYHFIQQQFFB-UHFFFAOYSA-N 2 0 357.498 3.663 20 0 FHADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772242 945069460 /nfs/dbraw/zinc/06/94/60/945069460.db2.gz UJZOIQUFTMNKBF-PZJWPPBQSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000153840882 937120438 /nfs/dbraw/zinc/12/04/38/937120438.db2.gz CJLFSICLUZYJMT-FBKNVZDASA-N 2 0 372.553 3.633 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000318714133 937148920 /nfs/dbraw/zinc/14/89/20/937148920.db2.gz SLMBJIDZHCOYDY-UHFFFAOYSA-N 2 0 362.315 3.819 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCC3)cc1 ZINC000643542598 927303997 /nfs/dbraw/zinc/30/39/97/927303997.db2.gz FNDZZULBGYZETM-FRFSOERESA-N 2 0 357.523 3.913 20 0 FHADRP O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150771016 937159490 /nfs/dbraw/zinc/15/94/90/937159490.db2.gz OCGMSFUTBHUBLX-HXUWFJFHSA-N 2 0 363.505 3.857 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000118773596 927431090 /nfs/dbraw/zinc/43/10/90/927431090.db2.gz SRMWQIXFZPTZGD-QGZVFWFLSA-N 2 0 371.525 3.736 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000123882845 937190723 /nfs/dbraw/zinc/19/07/23/937190723.db2.gz GUSMXVRREKJTBO-HNNXBMFYSA-N 2 0 374.916 3.694 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000119206667 928079582 /nfs/dbraw/zinc/07/95/82/928079582.db2.gz ZWDOJWNSZKNCLL-RXVVDRJESA-N 2 0 359.558 3.542 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])Nc3ccccc3)CC2)c1 ZINC000066242919 928190860 /nfs/dbraw/zinc/19/08/60/928190860.db2.gz KPGJIJKMKJTHRP-UHFFFAOYSA-N 2 0 365.525 3.534 20 0 FHADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000583233315 937263874 /nfs/dbraw/zinc/26/38/74/937263874.db2.gz CSHSABHBJLDHRG-HXUWFJFHSA-N 2 0 355.530 3.611 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154467396 928845276 /nfs/dbraw/zinc/84/52/76/928845276.db2.gz MTDAIOYTPITXGE-IBGZPJMESA-N 2 0 365.949 3.561 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154495130 928860594 /nfs/dbraw/zinc/86/05/94/928860594.db2.gz UZKFYRZZBUDINL-ROUUACIJSA-N 2 0 374.598 3.796 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180108833 929377248 /nfs/dbraw/zinc/37/72/48/929377248.db2.gz UHQPXRROXZMAAX-UHFFFAOYSA-N 2 0 373.491 3.671 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180135412 929391821 /nfs/dbraw/zinc/39/18/21/929391821.db2.gz AWNOLVIIXWZXGA-SVMVAKDDSA-N 2 0 372.532 3.996 20 0 FHADRP COCCC[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180232051 929425582 /nfs/dbraw/zinc/42/55/82/929425582.db2.gz UMTDDJWANUOQQG-UHFFFAOYSA-N 2 0 352.522 3.909 20 0 FHADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000180464649 929518181 /nfs/dbraw/zinc/51/81/81/929518181.db2.gz LRFAELFRNGLOQJ-UTKZUKDTSA-N 2 0 357.929 3.655 20 0 FHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000180497279 929531734 /nfs/dbraw/zinc/53/17/34/929531734.db2.gz HZFOBCXBHLBCSD-LAUBAEHRSA-N 2 0 357.929 3.655 20 0 FHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154954985 929552836 /nfs/dbraw/zinc/55/28/36/929552836.db2.gz LTIGXASTHFVQDC-MOPGFXCFSA-N 2 0 367.537 3.649 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2Cc4ccccc4C2)C3)cc1 ZINC000683690409 929803047 /nfs/dbraw/zinc/80/30/47/929803047.db2.gz JWIDTRDSWPWNTD-BKFWDETESA-N 2 0 361.533 3.787 20 0 FHADRP FC(F)CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000683690685 929805901 /nfs/dbraw/zinc/80/59/01/929805901.db2.gz NXLRAFRFXFYERL-ACDBMABISA-N 2 0 363.496 3.501 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CC3 ZINC000123214682 929916759 /nfs/dbraw/zinc/91/67/59/929916759.db2.gz RDNSGEZKXRVZTF-DLBZAZTESA-N 2 0 355.526 3.744 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1 ZINC000647288152 937377777 /nfs/dbraw/zinc/37/77/77/937377777.db2.gz ORTAKPWIRAZTDT-HSZRJFAPSA-N 2 0 367.537 3.915 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000123664157 930063046 /nfs/dbraw/zinc/06/30/46/930063046.db2.gz SAJVCTREZLJADU-KRWDZBQOSA-N 2 0 351.494 3.726 20 0 FHADRP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000156060684 937390929 /nfs/dbraw/zinc/39/09/29/937390929.db2.gz HPDOWCZQBSNSPI-UHFFFAOYSA-N 2 0 370.463 3.533 20 0 FHADRP Cc1ccc(NC(=O)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2)cc1 ZINC000656127314 930303633 /nfs/dbraw/zinc/30/36/33/930303633.db2.gz XXAAZUZEEVTVDG-WMQCIHAUSA-N 2 0 351.494 3.605 20 0 FHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125181704 930584169 /nfs/dbraw/zinc/58/41/69/930584169.db2.gz DBGBEQNCBPBNDT-FGSXEWAUSA-N 2 0 362.521 3.903 20 0 FHADRP C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000683927664 930636787 /nfs/dbraw/zinc/63/67/87/930636787.db2.gz RUWWCLHAKYUVEP-INIZCTEOSA-N 2 0 366.484 3.910 20 0 FHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000580565668 930862531 /nfs/dbraw/zinc/86/25/31/930862531.db2.gz LSYFLRZLLBRTTH-UKRRQHHQSA-N 2 0 354.432 3.536 20 0 FHADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000580573962 930867554 /nfs/dbraw/zinc/86/75/54/930867554.db2.gz UXGYUSWBIWCXAH-OAQYLSRUSA-N 2 0 352.478 3.687 20 0 FHADRP [NH3+]CCC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000580654074 930968697 /nfs/dbraw/zinc/96/86/97/930968697.db2.gz PDPUOTXKPRNJAF-HXUWFJFHSA-N 2 0 355.457 3.566 20 0 FHADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000580695724 931024413 /nfs/dbraw/zinc/02/44/13/931024413.db2.gz SVDLWQXOIDZMJT-CALCHBBNSA-N 2 0 365.612 3.736 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)o1 ZINC000684089678 931240414 /nfs/dbraw/zinc/24/04/14/931240414.db2.gz PRGWUCJBCHGGOF-SFHVURJKSA-N 2 0 371.481 3.759 20 0 FHADRP CC1(C[N@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CCOCC1 ZINC001279474657 931315554 /nfs/dbraw/zinc/31/55/54/931315554.db2.gz QSPIIFRAINHPKW-CALCHBBNSA-N 2 0 362.480 3.789 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000580933106 931365932 /nfs/dbraw/zinc/36/59/32/931365932.db2.gz USHBFKNWXYVYIF-INIZCTEOSA-N 2 0 363.512 3.892 20 0 FHADRP C[NH+](C)Cc1cc(-c2noc([C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)ccc1F ZINC000580944822 931386351 /nfs/dbraw/zinc/38/63/51/931386351.db2.gz KMSQGZFDZPGJCT-IBGZPJMESA-N 2 0 364.440 3.606 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(SC(F)F)cc1 ZINC000160749713 931528187 /nfs/dbraw/zinc/52/81/87/931528187.db2.gz WXLUSMVSXUWLKX-GDBMZVCRSA-N 2 0 358.498 3.889 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCCc3ccncc3)C2)cc1 ZINC000656403643 931592317 /nfs/dbraw/zinc/59/23/17/931592317.db2.gz BUAXKVMBZUCQNZ-ZJZGAYNASA-N 2 0 361.533 3.857 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1OC(F)F ZINC000581131645 931597861 /nfs/dbraw/zinc/59/78/61/931597861.db2.gz OEDAWGMCGNOVPW-VHSXEESVSA-N 2 0 351.235 3.574 20 0 FHADRP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000581192809 931652683 /nfs/dbraw/zinc/65/26/83/931652683.db2.gz ZKRYWHDVXYMIEL-IFMALSPDSA-N 2 0 363.505 3.688 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000581192814 931653040 /nfs/dbraw/zinc/65/30/40/931653040.db2.gz ZKRYWHDVXYMIEL-UNMCSNQZSA-N 2 0 363.505 3.688 20 0 FHADRP COc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000065976596 931673281 /nfs/dbraw/zinc/67/32/81/931673281.db2.gz MWPZOVMRXDBOPR-UHFFFAOYSA-N 2 0 372.509 3.842 20 0 FHADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)c1 ZINC000581207098 931675085 /nfs/dbraw/zinc/67/50/85/931675085.db2.gz YNOFYAACSRBXRM-NJDAHSKKSA-N 2 0 367.493 3.845 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548155923 931692772 /nfs/dbraw/zinc/69/27/72/931692772.db2.gz JWKKYRVWVHBIEF-GHTZIAJQSA-N 2 0 353.510 3.869 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548155925 931692994 /nfs/dbraw/zinc/69/29/94/931692994.db2.gz JWKKYRVWVHBIEF-RXVVDRJESA-N 2 0 353.510 3.869 20 0 FHADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000548156414 931717694 /nfs/dbraw/zinc/71/76/94/931717694.db2.gz GGQSNXHMBJQWOP-WMZOPIPTSA-N 2 0 357.464 3.686 20 0 FHADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1)C1CCC1 ZINC000581304555 931807952 /nfs/dbraw/zinc/80/79/52/931807952.db2.gz LNZHMQNJYLVNCL-NJDAHSKKSA-N 2 0 355.526 3.826 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569247 931905845 /nfs/dbraw/zinc/90/58/45/931905845.db2.gz HFTASEGPTCIBKM-MSOLQXFVSA-N 2 0 367.493 3.867 20 0 FHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000430572170 931912490 /nfs/dbraw/zinc/91/24/90/931912490.db2.gz NLTPRGVVBVTUHK-MRXNPFEDSA-N 2 0 350.304 3.803 20 0 FHADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000656683227 932323752 /nfs/dbraw/zinc/32/37/52/932323752.db2.gz KEVATYYVSBPBEU-FQEVSTJZSA-N 2 0 357.448 3.849 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccs2)c1)C1CCOCC1 ZINC000076399895 932377115 /nfs/dbraw/zinc/37/71/15/932377115.db2.gz KGIAFFLLBUCZDF-UHFFFAOYSA-N 2 0 360.523 3.528 20 0 FHADRP Cc1ncc([C@H](C)[NH2+]CCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000090401542 932403275 /nfs/dbraw/zinc/40/32/75/932403275.db2.gz WNVASUPLCLOVSC-KRWDZBQOSA-N 2 0 358.555 3.623 20 0 FHADRP COc1ncncc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000647170613 932410886 /nfs/dbraw/zinc/41/08/86/932410886.db2.gz HMDBRXZVWAGIEZ-UHFFFAOYSA-N 2 0 362.477 3.504 20 0 FHADRP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785994 932418613 /nfs/dbraw/zinc/41/86/13/932418613.db2.gz PGVZHYIGTDTWMK-GOSISDBHSA-N 2 0 371.550 3.934 20 0 FHADRP c1ccc(COc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2)nc1 ZINC000656786685 932422315 /nfs/dbraw/zinc/42/23/15/932422315.db2.gz PARZQEJCSYIFKT-OAQYLSRUSA-N 2 0 365.521 3.872 20 0 FHADRP FC1(F)CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000647172152 932465163 /nfs/dbraw/zinc/46/51/63/932465163.db2.gz KNDFKNMLRBIDBB-UHFFFAOYSA-N 2 0 351.485 3.756 20 0 FHADRP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684394290 932528353 /nfs/dbraw/zinc/52/83/53/932528353.db2.gz GWPLRPWCSOTRBH-ILWGZMRPSA-N 2 0 352.526 3.854 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000581716667 932551323 /nfs/dbraw/zinc/55/13/23/932551323.db2.gz MVLKNALAGUZGRC-HXUWFJFHSA-N 2 0 360.542 3.799 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000581882759 932830932 /nfs/dbraw/zinc/83/09/32/932830932.db2.gz NEWCPOJZZCLEIH-ZACQAIPSSA-N 2 0 367.493 3.568 20 0 FHADRP Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408336 932881100 /nfs/dbraw/zinc/88/11/00/932881100.db2.gz SZHFBRHCBBUEGH-UONOGXRCSA-N 2 0 362.518 3.754 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000157662937 933005390 /nfs/dbraw/zinc/00/53/90/933005390.db2.gz LSWJIGFHYGURCT-QGZVFWFLSA-N 2 0 365.512 3.880 20 0 FHADRP CCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000261764837 933028539 /nfs/dbraw/zinc/02/85/39/933028539.db2.gz QFULYPMTGHYALE-UHFFFAOYSA-N 2 0 358.313 3.786 20 0 FHADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000581941738 933090270 /nfs/dbraw/zinc/09/02/70/933090270.db2.gz BKVUDVBSMZTHPW-YZGWKJHDSA-N 2 0 359.558 3.522 20 0 FHADRP Cc1nc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000581960834 933120980 /nfs/dbraw/zinc/12/09/80/933120980.db2.gz SCGDXJNXZCMCNO-INIZCTEOSA-N 2 0 359.539 3.819 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388763 933292469 /nfs/dbraw/zinc/29/24/69/933292469.db2.gz TUMXTJPSFCXYSV-PMACEKPBSA-N 2 0 363.590 3.754 20 0 FHADRP CCOc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OCC(F)(F)F ZINC000430910021 933394513 /nfs/dbraw/zinc/39/45/13/933394513.db2.gz DGGIOIKAHYNOMU-UHFFFAOYSA-N 2 0 372.431 3.602 20 0 FHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000510684654 933421386 /nfs/dbraw/zinc/42/13/86/933421386.db2.gz JBKOEHZWCZXTER-VQIMIIECSA-N 2 0 372.475 3.709 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430945954 933461555 /nfs/dbraw/zinc/46/15/55/933461555.db2.gz YUFFHIHIINAVPP-IAGOWNOFSA-N 2 0 351.494 3.740 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430964282 933509120 /nfs/dbraw/zinc/50/91/20/933509120.db2.gz YLQZNCHBXNEYEY-OXJNMPFZSA-N 2 0 362.477 3.885 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747794 933639405 /nfs/dbraw/zinc/63/94/05/933639405.db2.gz FRGKDZLHBNOEKX-XXBNENTESA-N 2 0 369.528 3.839 20 0 FHADRP c1ccc(C(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c2ccccc2)cc1 ZINC000431036821 933725445 /nfs/dbraw/zinc/72/54/45/933725445.db2.gz KNDRCMRKEYZUGZ-UHFFFAOYSA-N 2 0 350.506 3.868 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000510834065 933829129 /nfs/dbraw/zinc/82/91/29/933829129.db2.gz AFVURWMHHWEKSD-IBGZPJMESA-N 2 0 371.569 3.913 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000548449886 933893293 /nfs/dbraw/zinc/89/32/93/933893293.db2.gz QITAXPYUXQDHLI-ZWKOTPCHSA-N 2 0 359.558 3.701 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000548449485 933895687 /nfs/dbraw/zinc/89/56/87/933895687.db2.gz JMENDGFONIYMKI-QZTJIDSGSA-N 2 0 359.558 3.844 20 0 FHADRP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000380427421 934136652 /nfs/dbraw/zinc/13/66/52/934136652.db2.gz JJERJVOOZQIRIG-APWZRJJASA-N 2 0 370.468 3.613 20 0 FHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000510953463 934219108 /nfs/dbraw/zinc/21/91/08/934219108.db2.gz VDPLUSTZSUGRIO-MRXNPFEDSA-N 2 0 371.491 3.642 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960856 934227801 /nfs/dbraw/zinc/22/78/01/934227801.db2.gz KSCCOCAEHPGKLK-KBXCAEBGSA-N 2 0 367.331 3.527 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccnc4ccccc34)CC2)C[C@H](C)O1 ZINC000535827852 934528329 /nfs/dbraw/zinc/52/83/29/934528329.db2.gz CEJQCTKAHQORGF-HDICACEKSA-N 2 0 353.510 3.556 20 0 FHADRP C[NH+](CCc1ccncc1)Cc1cccc(C[N@H+](C)CCc2ccncc2)c1 ZINC000181482883 934709828 /nfs/dbraw/zinc/70/98/28/934709828.db2.gz AIQPQYOXYJWGQB-UHFFFAOYSA-N 2 0 374.532 3.826 20 0 FHADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000236765627 934773930 /nfs/dbraw/zinc/77/39/30/934773930.db2.gz OCEWNSCCULLNBL-QFIPXVFZSA-N 2 0 365.521 3.549 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OCC(F)(F)F ZINC000101591877 934843581 /nfs/dbraw/zinc/84/35/81/934843581.db2.gz MODNSPSXQAFNJF-OAHLLOKOSA-N 2 0 372.431 3.600 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000236876494 934921157 /nfs/dbraw/zinc/92/11/57/934921157.db2.gz PMBJZXUKJWMOAZ-UWJYYQICSA-N 2 0 369.509 3.682 20 0 FHADRP CC[NH+]1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000511027389 934956290 /nfs/dbraw/zinc/95/62/90/934956290.db2.gz DNAMGQABTBCKDR-UHFFFAOYSA-N 2 0 365.521 3.533 20 0 FHADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(C[NH3+])cc3)ccc21 ZINC000236899132 934991906 /nfs/dbraw/zinc/99/19/06/934991906.db2.gz YKUNDGKBZVCDJO-UHFFFAOYSA-N 2 0 364.493 3.694 20 0 FHADRP CC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511038149 935012170 /nfs/dbraw/zinc/01/21/70/935012170.db2.gz NVEIQEHCCALSNQ-BJKOFHAPSA-N 2 0 363.549 3.729 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657313577 935142170 /nfs/dbraw/zinc/14/21/70/935142170.db2.gz KHMPNQKXIJPQPS-QZTJIDSGSA-N 2 0 352.526 3.597 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523967 935170165 /nfs/dbraw/zinc/17/01/65/935170165.db2.gz FGJGNWFXNFUVTR-CQSZACIVSA-N 2 0 371.447 3.696 20 0 FHADRP C[C@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000472143200 935175143 /nfs/dbraw/zinc/17/51/43/935175143.db2.gz YMOPZHYMUAARED-PMACEKPBSA-N 2 0 359.602 3.778 20 0 FHADRP C[C@H](CCO)C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000438825353 945082335 /nfs/dbraw/zinc/08/23/35/945082335.db2.gz IAUCOBOGPRIHNC-WIYYLYMNSA-N 2 0 350.522 3.987 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1)C1CC1 ZINC000511063864 935200444 /nfs/dbraw/zinc/20/04/44/935200444.db2.gz LWTFTKDBVQRXBD-LJQANCHMSA-N 2 0 371.550 3.765 20 0 FHADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657332693 935248942 /nfs/dbraw/zinc/24/89/42/935248942.db2.gz OJQNAXLRDCBDIZ-UHFFFAOYSA-N 2 0 364.537 3.781 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000657337813 935266482 /nfs/dbraw/zinc/26/64/82/935266482.db2.gz BUNJRICTVLYFCQ-UHFFFAOYSA-N 2 0 352.526 3.963 20 0 FHADRP Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)cc21 ZINC000657350622 935315287 /nfs/dbraw/zinc/31/52/87/935315287.db2.gz VDIOAKULFFVIKA-UHFFFAOYSA-N 2 0 363.505 3.723 20 0 FHADRP c1c(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)nn2c1CCC2 ZINC000657358184 935341132 /nfs/dbraw/zinc/34/11/32/935341132.db2.gz HAONHOQHERIHFJ-UHFFFAOYSA-N 2 0 366.553 3.654 20 0 FHADRP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554330 935389595 /nfs/dbraw/zinc/38/95/95/935389595.db2.gz NVBZDUAEWFQHSM-GOTSBHOMSA-N 2 0 356.554 3.916 20 0 FHADRP Clc1ccccc1N1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657374645 935455236 /nfs/dbraw/zinc/45/52/36/935455236.db2.gz OYYYWRMLGVAGIS-MRXNPFEDSA-N 2 0 367.884 3.679 20 0 FHADRP CCC[N@H+](C)C[C@@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167559162 935466696 /nfs/dbraw/zinc/46/66/96/935466696.db2.gz YLYSWIDFFQIXFS-DEOSSOPVSA-N 2 0 371.613 3.995 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)CC2)CC1 ZINC000657415741 935635691 /nfs/dbraw/zinc/63/56/91/935635691.db2.gz MPSHECVYGILUTO-BBHUYCHWSA-N 2 0 372.553 3.987 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000110916477 935653029 /nfs/dbraw/zinc/65/30/29/935653029.db2.gz CMPDRIUCILJNKN-UHFFFAOYSA-N 2 0 366.465 3.674 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430243 935702109 /nfs/dbraw/zinc/70/21/09/935702109.db2.gz PCIQZDQZHCRENP-LQBOVUBWSA-N 2 0 358.526 3.597 20 0 FHADRP Cc1cc(F)ccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000509567537 945120326 /nfs/dbraw/zinc/12/03/26/945120326.db2.gz DWHNBIHTCPLWSE-JOCHJYFZSA-N 2 0 355.501 3.603 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@@H]1C ZINC001167586397 935849098 /nfs/dbraw/zinc/84/90/98/935849098.db2.gz MINCXZMSQLQKRO-ITQYTPKQSA-N 2 0 370.459 3.973 20 0 FHADRP CCOc1ccc(C[C@@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657487612 935865580 /nfs/dbraw/zinc/86/55/80/935865580.db2.gz LJPUABUKQSRYFM-QGZVFWFLSA-N 2 0 350.466 3.634 20 0 FHADRP Clc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc2c1OCCCO2 ZINC000582619187 935877827 /nfs/dbraw/zinc/87/78/27/935877827.db2.gz OAJPVBRYKRQZSL-UHFFFAOYSA-N 2 0 352.906 3.857 20 0 FHADRP CC1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC[NH2+]CC1 ZINC000414899585 945131715 /nfs/dbraw/zinc/13/17/15/945131715.db2.gz HHOLCVGXLZIKJW-UHFFFAOYSA-N 2 0 359.901 3.793 20 0 FHADRP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3cccc(Br)c23)CC1 ZINC000582695507 935951514 /nfs/dbraw/zinc/95/15/14/935951514.db2.gz SNGLXEWMWYUTRL-UHFFFAOYSA-N 2 0 364.331 3.937 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)cc2)C1 ZINC000657594550 936074301 /nfs/dbraw/zinc/07/43/01/936074301.db2.gz BJPCIJKNEWWHPF-YTFSRNRJSA-N 2 0 350.506 3.679 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3Cl)cc2)C1 ZINC000657595315 936075320 /nfs/dbraw/zinc/07/53/20/936075320.db2.gz OOIAYAVUHXFLOT-QGZVFWFLSA-N 2 0 365.304 3.850 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cc2)C1 ZINC000657595385 936075457 /nfs/dbraw/zinc/07/54/57/936075457.db2.gz HTTIWJZIVWUOCJ-INIZCTEOSA-N 2 0 370.440 3.623 20 0 FHADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237479011 936076807 /nfs/dbraw/zinc/07/68/07/936076807.db2.gz ZUIHWGKJCOLXOU-LAUBAEHRSA-N 2 0 351.494 3.600 20 0 FHADRP CCCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000657597626 936081108 /nfs/dbraw/zinc/08/11/08/936081108.db2.gz VWBADVKEVFEAPD-QFIPXVFZSA-N 2 0 368.521 3.640 20 0 FHADRP C[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237491268 936089110 /nfs/dbraw/zinc/08/91/10/936089110.db2.gz VWQMVXUEFANYCW-SIKLNZKXSA-N 2 0 371.569 3.705 20 0 FHADRP Brc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612276 936092105 /nfs/dbraw/zinc/09/21/05/936092105.db2.gz LMGBDMCHPNVGMN-UHFFFAOYSA-N 2 0 374.326 3.846 20 0 FHADRP CC(C)Cc1ncc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657613185 936093780 /nfs/dbraw/zinc/09/37/80/936093780.db2.gz HPNJOYXBQHVABK-UHFFFAOYSA-N 2 0 358.555 3.738 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000090936819 936279120 /nfs/dbraw/zinc/27/91/20/936279120.db2.gz DUCZSMWEYNLCJQ-JNAXZKDPSA-N 2 0 367.940 3.792 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cncs2)CC1 ZINC000127238652 938260333 /nfs/dbraw/zinc/26/03/33/938260333.db2.gz QUZIGPFPVRINLF-LSDHHAIUSA-N 2 0 362.518 3.836 20 0 FHADRP COCC[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536034177 938261733 /nfs/dbraw/zinc/26/17/33/938261733.db2.gz BJEOGMJFEAZLOS-CNNODRBYSA-N 2 0 360.542 3.585 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000650705980 938284536 /nfs/dbraw/zinc/28/45/36/938284536.db2.gz BKESZVPBYVNSMC-KNKQGSTJSA-N 2 0 358.526 3.726 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000650706182 938285199 /nfs/dbraw/zinc/28/51/99/938285199.db2.gz FSRAYBFBFWSVAJ-ZHALLVOQSA-N 2 0 357.523 3.528 20 0 FHADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707851 938287580 /nfs/dbraw/zinc/28/75/80/938287580.db2.gz OEHWSBWNNURDAN-JDFRZJQESA-N 2 0 373.324 3.720 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707976 938287750 /nfs/dbraw/zinc/28/77/50/938287750.db2.gz RAORBGYOMHNWHY-XYPHTWIQSA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708151 938287930 /nfs/dbraw/zinc/28/79/30/938287930.db2.gz UJUIIMUFPDVXQZ-LZWOXQAQSA-N 2 0 363.552 3.590 20 0 FHADRP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000650713240 938299913 /nfs/dbraw/zinc/29/99/13/938299913.db2.gz LNHANNWMWSDPKL-UHFFFAOYSA-N 2 0 358.457 3.632 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292055 938300583 /nfs/dbraw/zinc/30/05/83/938300583.db2.gz KQYQISUJFQVTAQ-IEBWSBKVSA-N 2 0 357.498 3.835 20 0 FHADRP C[C@H](C[NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(Br)c1 ZINC000650717646 938304554 /nfs/dbraw/zinc/30/45/54/938304554.db2.gz IELSBCSEBSWDCV-GFCCVEGCSA-N 2 0 351.263 3.940 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000650719420 938307793 /nfs/dbraw/zinc/30/77/93/938307793.db2.gz PNRZQENWJJANCZ-UHFFFAOYSA-N 2 0 368.399 3.646 20 0 FHADRP CC(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722409 938309621 /nfs/dbraw/zinc/30/96/21/938309621.db2.gz RYXIFIILWLYYQE-KSEOMHKRSA-N 2 0 360.542 3.972 20 0 FHADRP Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724035 938311160 /nfs/dbraw/zinc/31/11/60/938311160.db2.gz XKNFJBIDGRZTTH-KZNAEPCWSA-N 2 0 367.331 3.618 20 0 FHADRP Cc1ccc(-c2cccc(C[N@H+](C)CCCN3CC[NH+](C)CC3)c2)cc1 ZINC000583592041 938311230 /nfs/dbraw/zinc/31/12/30/938311230.db2.gz PPNUSIGANIDMCJ-UHFFFAOYSA-N 2 0 351.538 3.731 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C(F)(F)F ZINC000650725282 938313583 /nfs/dbraw/zinc/31/35/83/938313583.db2.gz XLHNRRUSLYGPMC-JQHSSLGASA-N 2 0 356.432 3.875 20 0 FHADRP c1ccc(C[NH+]2C[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774168 938317470 /nfs/dbraw/zinc/31/74/70/938317470.db2.gz XLPDKZXOVZQQTJ-BHDDXSALSA-N 2 0 353.554 3.505 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)c(C[NH+](C)C)c1 ZINC000583620364 938325653 /nfs/dbraw/zinc/32/56/53/938325653.db2.gz GSUZWCVMGHOVSL-IBGZPJMESA-N 2 0 362.477 3.940 20 0 FHADRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000583626316 938328119 /nfs/dbraw/zinc/32/81/19/938328119.db2.gz MGFKGZQCMXEMGN-UHFFFAOYSA-N 2 0 371.447 3.746 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000728571809 938332772 /nfs/dbraw/zinc/33/27/72/938332772.db2.gz LINGVSXQIHAASO-SFHVURJKSA-N 2 0 358.448 3.791 20 0 FHADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657778520 938337760 /nfs/dbraw/zinc/33/77/60/938337760.db2.gz QPEGMBAIMNILMP-KURKYZTESA-N 2 0 351.332 3.987 20 0 FHADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000650754473 938408221 /nfs/dbraw/zinc/40/82/21/938408221.db2.gz JVJLMJUFZQIECW-QZNHQXDQSA-N 2 0 367.512 3.675 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)c(F)c1 ZINC000650756309 938415029 /nfs/dbraw/zinc/41/50/29/938415029.db2.gz ZDDHLDDASFAYLF-WOJBJXKFSA-N 2 0 362.876 3.818 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000650758849 938429527 /nfs/dbraw/zinc/42/95/27/938429527.db2.gz ZAJLMTUNBSZJDN-ZDUSSCGKSA-N 2 0 350.409 3.867 20 0 FHADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)N2 ZINC000650759953 938432602 /nfs/dbraw/zinc/43/26/02/938432602.db2.gz UPUREZGQHMZLAG-JMUQELJHSA-N 2 0 363.505 3.649 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)[C@H](C)C1 ZINC000151164419 938436841 /nfs/dbraw/zinc/43/68/41/938436841.db2.gz GHNMEUVFAHDUCN-APWZRJJASA-N 2 0 350.934 3.708 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCS2 ZINC000650764325 938451060 /nfs/dbraw/zinc/45/10/60/938451060.db2.gz WERWERYHYCKZBV-OAHLLOKOSA-N 2 0 355.345 3.965 20 0 FHADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000583920766 938487364 /nfs/dbraw/zinc/48/73/64/938487364.db2.gz GGSZBFPLQOUSAF-WJMWBRGCSA-N 2 0 369.578 3.818 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)c2ccccc2CC[NH3+])CCCC1)c1ccccc1 ZINC000583941696 938491739 /nfs/dbraw/zinc/49/17/39/938491739.db2.gz COZWKRQXHCOSBL-GOSISDBHSA-N 2 0 365.521 3.581 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000583985616 938519203 /nfs/dbraw/zinc/51/92/03/938519203.db2.gz ILXGKWQRDBTMEK-ACRUOGEOSA-N 2 0 351.494 3.623 20 0 FHADRP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584118209 938604821 /nfs/dbraw/zinc/60/48/21/938604821.db2.gz MPMOZPLNNQRKPR-LJQANCHMSA-N 2 0 352.453 3.566 20 0 FHADRP FC(F)Oc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506011457 945194354 /nfs/dbraw/zinc/19/43/54/945194354.db2.gz BILQSXWNQQPCKR-UHFFFAOYSA-N 2 0 368.468 3.612 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000657838683 938673682 /nfs/dbraw/zinc/67/36/82/938673682.db2.gz XGNZFFLOXSBUPO-HSZRJFAPSA-N 2 0 374.569 3.840 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000151793957 938681352 /nfs/dbraw/zinc/68/13/52/938681352.db2.gz ORYCKQDWHZYXRM-JOCHJYFZSA-N 2 0 374.475 3.543 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1OCc1ccccc1 ZINC000151812988 938686479 /nfs/dbraw/zinc/68/64/79/938686479.db2.gz XXATYVOWDKAPDV-IBGZPJMESA-N 2 0 368.521 3.621 20 0 FHADRP COc1ccccc1C1([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000647329488 938689464 /nfs/dbraw/zinc/68/94/64/938689464.db2.gz QFQOSNKFLCHRDX-QGZVFWFLSA-N 2 0 354.494 3.976 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)C1 ZINC000657839299 938691607 /nfs/dbraw/zinc/69/16/07/938691607.db2.gz RAMCCJOFKNQLHL-UEXGIBASSA-N 2 0 352.526 3.986 20 0 FHADRP COCCC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCC1 ZINC000151822990 938691751 /nfs/dbraw/zinc/69/17/51/938691751.db2.gz UULISDWVHPLWRK-UHFFFAOYSA-N 2 0 373.585 3.904 20 0 FHADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2cc(OC)ccc2c1 ZINC000151831188 938692510 /nfs/dbraw/zinc/69/25/10/938692510.db2.gz JKKNLSYZSGWCTC-JOCHJYFZSA-N 2 0 356.510 3.593 20 0 FHADRP CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000708503661 938692837 /nfs/dbraw/zinc/69/28/37/938692837.db2.gz KAHQNOBANSBBMF-WIYYLYMNSA-N 2 0 368.521 3.952 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCSCC2)cc1OC ZINC000657847548 938715023 /nfs/dbraw/zinc/71/50/23/938715023.db2.gz XZLUDVMOTCJKDZ-GOSISDBHSA-N 2 0 366.571 3.791 20 0 FHADRP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151866937 938798129 /nfs/dbraw/zinc/79/81/29/938798129.db2.gz RITKKGXRTHMCFW-FQEVSTJZSA-N 2 0 352.950 3.591 20 0 FHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151874182 938808277 /nfs/dbraw/zinc/80/82/77/938808277.db2.gz RBNZRXZBOJNMKW-QGZVFWFLSA-N 2 0 356.963 3.505 20 0 FHADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000083169900 938815979 /nfs/dbraw/zinc/81/59/79/938815979.db2.gz NYJGCVJTNOBSOC-UHFFFAOYSA-N 2 0 371.447 3.839 20 0 FHADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc(C)c1F ZINC000090038628 938868126 /nfs/dbraw/zinc/86/81/26/938868126.db2.gz VKWWYCAUSPWEMN-QGZVFWFLSA-N 2 0 371.500 3.585 20 0 FHADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090708796 938881920 /nfs/dbraw/zinc/88/19/20/938881920.db2.gz JJJDXXCTNGHUTH-MJGOQNOKSA-N 2 0 370.566 3.612 20 0 FHADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc(C)c1O ZINC000507407955 945213389 /nfs/dbraw/zinc/21/33/89/945213389.db2.gz UIBHEWJEQYIYLA-OALUTQOASA-N 2 0 368.521 3.908 20 0 FHADRP c1cncc(C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2CC2)c1 ZINC000685466718 938989078 /nfs/dbraw/zinc/98/90/78/938989078.db2.gz HBXSNKYOXTXYMW-UHFFFAOYSA-N 2 0 351.494 3.721 20 0 FHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657893385 938991796 /nfs/dbraw/zinc/99/17/96/938991796.db2.gz RCQTYAJVZISAHU-INIZCTEOSA-N 2 0 366.500 3.620 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976507 939014850 /nfs/dbraw/zinc/01/48/50/939014850.db2.gz OEEUYTUPZUUAAI-VQIMIIECSA-N 2 0 371.491 3.642 20 0 FHADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000658054747 939020848 /nfs/dbraw/zinc/02/08/48/939020848.db2.gz GNQAUZRIUMYOTL-MAUKXSAKSA-N 2 0 365.949 3.539 20 0 FHADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCCCC2 ZINC000658067615 939021587 /nfs/dbraw/zinc/02/15/87/939021587.db2.gz OFDUPNIKFLCWIZ-NHCUHLMSSA-N 2 0 364.574 3.595 20 0 FHADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000658109813 939028862 /nfs/dbraw/zinc/02/88/62/939028862.db2.gz YDBKZRWKGBJSLP-IRXDYDNUSA-N 2 0 360.571 3.733 20 0 FHADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000658136505 939031073 /nfs/dbraw/zinc/03/10/73/939031073.db2.gz DHIHTAPXIFMGEA-DENIHFKCSA-N 2 0 350.506 3.765 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141446 939035128 /nfs/dbraw/zinc/03/51/28/939035128.db2.gz XDBNFHSIPFIOIH-IRLDBZIGSA-N 2 0 368.521 3.811 20 0 FHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000658142147 939035570 /nfs/dbraw/zinc/03/55/70/939035570.db2.gz VCFULSFEYPPMAE-BEFAXECRSA-N 2 0 374.525 3.965 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142222 939036229 /nfs/dbraw/zinc/03/62/29/939036229.db2.gz DNQOUMDXGSQJNA-UYAOXDASSA-N 2 0 354.519 3.580 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506021056 945222064 /nfs/dbraw/zinc/22/20/64/945222064.db2.gz ARSRTSFQJUZIMS-UHFFFAOYSA-N 2 0 360.542 3.798 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137840 939040765 /nfs/dbraw/zinc/04/07/65/939040765.db2.gz IMUZXFQVSQXJDK-UYAOXDASSA-N 2 0 372.509 3.719 20 0 FHADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140278 939043988 /nfs/dbraw/zinc/04/39/88/939043988.db2.gz PKHCIWWVGCGPOB-XMSQKQJNSA-N 2 0 368.521 3.893 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140709 939044115 /nfs/dbraw/zinc/04/41/15/939044115.db2.gz QUNFCNGLBRSEDE-KOSHJBKYSA-N 2 0 364.533 3.983 20 0 FHADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165759 939053306 /nfs/dbraw/zinc/05/33/06/939053306.db2.gz LPBPTSBKNODSRW-GOSISDBHSA-N 2 0 353.510 3.961 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000658166117 939054406 /nfs/dbraw/zinc/05/44/06/939054406.db2.gz MQLWXWJHYCIICH-KRWDZBQOSA-N 2 0 366.509 3.603 20 0 FHADRP c1cncc([C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CCC2)c1 ZINC000658167335 939055096 /nfs/dbraw/zinc/05/50/96/939055096.db2.gz RQPCOWJKXOZSDT-QFIPXVFZSA-N 2 0 350.510 3.820 20 0 FHADRP CNC(=O)CC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCCCC1 ZINC000658303577 939095388 /nfs/dbraw/zinc/09/53/88/939095388.db2.gz BRTWIYNJVJZDTC-AZUAARDMSA-N 2 0 363.590 3.706 20 0 FHADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316998 939110037 /nfs/dbraw/zinc/11/00/37/939110037.db2.gz HZJNPHGFUYDNCP-YADHBBJMSA-N 2 0 366.553 3.800 20 0 FHADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338598 939117082 /nfs/dbraw/zinc/11/70/82/939117082.db2.gz FQIWGUBGVYPRPK-XNZCMHNBSA-N 2 0 364.533 3.936 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658353359 939124288 /nfs/dbraw/zinc/12/42/88/939124288.db2.gz MFSKALOIAPZCPO-HXUWFJFHSA-N 3 0 369.597 3.794 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ncc(Br)cc1F ZINC000658357947 939125275 /nfs/dbraw/zinc/12/52/75/939125275.db2.gz WJZQQGFGRFBDTL-LBPRGKRZSA-N 2 0 370.310 3.756 20 0 FHADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356802 939125345 /nfs/dbraw/zinc/12/53/45/939125345.db2.gz PNDVLBLFKFAVEV-HXUWFJFHSA-N 2 0 360.542 3.737 20 0 FHADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366511 939133845 /nfs/dbraw/zinc/13/38/45/939133845.db2.gz RNDRSPWZRHFIQR-GGAORHGYSA-N 2 0 365.521 3.817 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000507428090 945229867 /nfs/dbraw/zinc/22/98/67/945229867.db2.gz JEXRDAPWTRIEHE-CQSZACIVSA-N 2 0 361.921 3.612 20 0 FHADRP C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(Cn4ccnc4)cn3)CC2)C1 ZINC000519231043 945236771 /nfs/dbraw/zinc/23/67/71/945236771.db2.gz ZDSMJOQLGLTMNO-FXAWDEMLSA-N 2 0 353.514 3.781 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(C)CC[NH2+]CC2)o1 ZINC000414901416 945240195 /nfs/dbraw/zinc/24/01/95/945240195.db2.gz JSGUYWFYVRFAMQ-UHFFFAOYSA-N 2 0 364.493 3.920 20 0 FHADRP c1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000414970217 945246604 /nfs/dbraw/zinc/24/66/04/945246604.db2.gz KEESQQQQIBFPDT-HXUWFJFHSA-N 2 0 361.493 3.556 20 0 FHADRP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507472098 945257566 /nfs/dbraw/zinc/25/75/66/945257566.db2.gz QHTAFLSTIOHJJF-IXDOHACOSA-N 2 0 358.473 3.782 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000467161826 939903304 /nfs/dbraw/zinc/90/33/04/939903304.db2.gz XJGMSYJKNLPPFC-UHFFFAOYSA-N 2 0 356.913 3.844 20 0 FHADRP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000310516251 939904946 /nfs/dbraw/zinc/90/49/46/939904946.db2.gz ZPHVGYWPPIMJHS-QZTJIDSGSA-N 2 0 355.567 3.876 20 0 FHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507508670 945288758 /nfs/dbraw/zinc/28/87/58/945288758.db2.gz KAAUVLCYSPJWHO-FGZHOGPDSA-N 2 0 369.553 3.571 20 0 FHADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000570050407 940113584 /nfs/dbraw/zinc/11/35/84/940113584.db2.gz KAOXAUVFJRLSTH-GFCCVEGCSA-N 2 0 368.403 3.877 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000507521553 945299847 /nfs/dbraw/zinc/29/98/47/945299847.db2.gz YYQXOGVEFYFAMV-GOSISDBHSA-N 2 0 353.510 3.969 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507524823 945303073 /nfs/dbraw/zinc/30/30/73/945303073.db2.gz KAHWDBQJICOJPG-AJSBUHFISA-N 2 0 353.554 3.504 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000584499353 940270006 /nfs/dbraw/zinc/27/00/06/940270006.db2.gz HVXSQEKHZLGBKD-PDGJWGCVSA-N 2 0 360.542 3.633 20 0 FHADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991804 945311516 /nfs/dbraw/zinc/31/15/16/945311516.db2.gz XTDCFNMHQCUAFU-FCHUYYIVSA-N 2 0 372.553 3.607 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760564 940478698 /nfs/dbraw/zinc/47/86/98/940478698.db2.gz XLUXEFMJMQLKTA-UGKGYDQZSA-N 2 0 371.569 3.799 20 0 FHADRP C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000613273906 940499271 /nfs/dbraw/zinc/49/92/71/940499271.db2.gz XCVPFXXHCWDUIM-UGKGYDQZSA-N 2 0 360.542 3.846 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000507576114 945327883 /nfs/dbraw/zinc/32/78/83/945327883.db2.gz RDCXWRNCKSUYKL-MRXNPFEDSA-N 2 0 370.335 3.616 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115323 940603001 /nfs/dbraw/zinc/60/30/01/940603001.db2.gz MVAOURFIRIHBOK-CTNGQTDRSA-N 2 0 363.977 3.983 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000414221907 940792924 /nfs/dbraw/zinc/79/29/24/940792924.db2.gz NDCYVZMYKIKHQD-USCONSEESA-N 2 0 354.494 3.590 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3C3CC3)cc2)C1 ZINC000892574475 940816766 /nfs/dbraw/zinc/81/67/66/940816766.db2.gz KIQNAXHLPAKKSW-QGZVFWFLSA-N 2 0 352.526 3.819 20 0 FHADRP OC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000414294406 940908371 /nfs/dbraw/zinc/90/83/71/940908371.db2.gz CEPLUTKEBHXGPC-HXUWFJFHSA-N 2 0 372.459 3.569 20 0 FHADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414298959 940918371 /nfs/dbraw/zinc/91/83/71/940918371.db2.gz HPKOWFKTWDYMQN-JOCHJYFZSA-N 2 0 350.506 3.599 20 0 FHADRP CC(C)c1nc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000414302332 940925764 /nfs/dbraw/zinc/92/57/64/940925764.db2.gz KOXDJJKPYXHUNP-KRWDZBQOSA-N 2 0 373.566 3.944 20 0 FHADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC000414302386 940926181 /nfs/dbraw/zinc/92/61/81/940926181.db2.gz KSEOOYYZNZNRNH-JOCHJYFZSA-N 2 0 368.521 3.763 20 0 FHADRP OC1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307270 940933368 /nfs/dbraw/zinc/93/33/68/940933368.db2.gz OZEMTRNSGHNXSS-PKTZIBPZSA-N 2 0 364.533 3.939 20 0 FHADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310963 940941697 /nfs/dbraw/zinc/94/16/97/940941697.db2.gz UMOAYADVSHWESZ-LJQANCHMSA-N 2 0 370.512 3.764 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423036226 940956348 /nfs/dbraw/zinc/95/63/48/940956348.db2.gz SSRYATJFUJKTPW-NVXWUHKLSA-N 2 0 350.304 3.723 20 0 FHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161779943 940966844 /nfs/dbraw/zinc/96/68/44/940966844.db2.gz QVLDWLXTNTVGDP-UHFFFAOYSA-N 2 0 358.526 3.694 20 0 FHADRP C[C@H](CCC1CCCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322886 940969540 /nfs/dbraw/zinc/96/95/40/940969540.db2.gz HUWHAJPOFDYCPL-GOSISDBHSA-N 2 0 371.569 3.832 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000186843498 941060289 /nfs/dbraw/zinc/06/02/89/941060289.db2.gz RGBCMIYVIRRTSC-UHFFFAOYSA-N 2 0 351.579 3.517 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC(F)F ZINC000647542999 941062873 /nfs/dbraw/zinc/06/28/73/941062873.db2.gz GFFDRRJYCNTUEZ-HZPDHXFCSA-N 2 0 354.441 3.508 20 0 FHADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544402 941064138 /nfs/dbraw/zinc/06/41/38/941064138.db2.gz ZUCOOPIGDXMMIO-HUUCEWRRSA-N 2 0 354.441 3.508 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543823 941065837 /nfs/dbraw/zinc/06/58/37/941065837.db2.gz SNSRQPYJJBRIBM-RTWAWAEBSA-N 2 0 365.521 3.969 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543827 941065877 /nfs/dbraw/zinc/06/58/77/941065877.db2.gz SOKAPLKXPHCHDV-RTWAWAEBSA-N 2 0 365.521 3.872 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544034 941065940 /nfs/dbraw/zinc/06/59/40/941065940.db2.gz VQJGPTKNXIQKJW-UXHICEINSA-N 2 0 352.526 3.701 20 0 FHADRP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888645 941066223 /nfs/dbraw/zinc/06/62/23/941066223.db2.gz DKQLSHKDTWJOOT-UHFFFAOYSA-N 2 0 371.569 3.623 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCC2)c1 ZINC000647549215 941070979 /nfs/dbraw/zinc/07/09/79/941070979.db2.gz NYYGBKOBRKRHJK-RVKKMQEKSA-N 2 0 363.343 3.849 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000480686143 941236220 /nfs/dbraw/zinc/23/62/20/941236220.db2.gz BWJBNLZFHIDZNO-QHCPKHFHSA-N 2 0 367.512 3.740 20 0 FHADRP c1cncc(CN2CCC[C@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673505 941377238 /nfs/dbraw/zinc/37/72/38/941377238.db2.gz RBGKEJAWNVASDD-KNQAVFIVSA-N 2 0 350.510 3.820 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000110649946 941422306 /nfs/dbraw/zinc/42/23/06/941422306.db2.gz PTCWFHYYJYXHEH-LLVKDONJSA-N 2 0 361.711 3.541 20 0 FHADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000892749445 941510587 /nfs/dbraw/zinc/51/05/87/941510587.db2.gz FJUOHDPMQQWKHK-IZAXUBKRSA-N 2 0 365.562 3.534 20 0 FHADRP CO[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000549137510 941514273 /nfs/dbraw/zinc/51/42/73/941514273.db2.gz UKMUWQHNQIWWQT-HXUWFJFHSA-N 2 0 366.933 3.604 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011104 941539721 /nfs/dbraw/zinc/53/97/21/941539721.db2.gz QDMYMSXEEQZOJF-GHTZIAJQSA-N 2 0 372.944 3.679 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415013898 941542344 /nfs/dbraw/zinc/54/23/44/941542344.db2.gz YXOOLQJZWIISDN-FXAWDEMLSA-N 2 0 352.526 3.832 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(Cl)c1 ZINC000415019628 941545131 /nfs/dbraw/zinc/54/51/31/941545131.db2.gz FLDDNHBFCAVKSP-BZUAXINKSA-N 2 0 351.922 3.720 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000415024372 941547465 /nfs/dbraw/zinc/54/74/65/941547465.db2.gz OVZDOYUUJINKBH-NSHDSACASA-N 2 0 354.317 3.790 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000415041001 941560490 /nfs/dbraw/zinc/56/04/90/941560490.db2.gz PIEFNBCNHWBRNE-MWLCHTKSSA-N 2 0 367.209 3.565 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056582 941576280 /nfs/dbraw/zinc/57/62/80/941576280.db2.gz SLRZDLGYGXMIDI-UGKGYDQZSA-N 2 0 351.494 3.625 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415075896 941586858 /nfs/dbraw/zinc/58/68/58/941586858.db2.gz APHGXOABLMWEMN-BHIFYINESA-N 2 0 372.553 3.644 20 0 FHADRP Clc1ccc(C2(C[NH2+]C[C@H]3CCC[NH2+]C3)CCOCC2)c(Cl)c1 ZINC000415075888 941586912 /nfs/dbraw/zinc/58/69/12/941586912.db2.gz AOZUEDOCQXURCY-AWEZNQCLSA-N 2 0 357.325 3.631 20 0 FHADRP Clc1cc(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079446 941588426 /nfs/dbraw/zinc/58/84/26/941588426.db2.gz HXCXQZAXUZHADV-FUHWJXTLSA-N 2 0 358.869 3.694 20 0 FHADRP C[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000415085952 941595737 /nfs/dbraw/zinc/59/57/37/941595737.db2.gz UAWBGDLYMZWLHV-QWRGUYRKSA-N 2 0 363.246 3.528 20 0 FHADRP [NH3+]CC1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000415091238 941600952 /nfs/dbraw/zinc/60/09/52/941600952.db2.gz PZZPGHPAMAJHEZ-UHFFFAOYSA-N 2 0 370.459 3.861 20 0 FHADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000415092457 941601458 /nfs/dbraw/zinc/60/14/58/941601458.db2.gz AQXYOJVCCPGNCD-GGAORHGYSA-N 2 0 364.537 3.734 20 0 FHADRP CC[NH+]1CCN(c2cccc(N[C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000415092458 941601709 /nfs/dbraw/zinc/60/17/09/941601709.db2.gz AQXYOJVCCPGNCD-GMAHTHKFSA-N 2 0 364.537 3.734 20 0 FHADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415097805 941602836 /nfs/dbraw/zinc/60/28/36/941602836.db2.gz DNOUUTCDGLDIBN-KXBFYZLASA-N 2 0 369.475 3.790 20 0 FHADRP Clc1cc(Cl)cc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)c1 ZINC000415112729 941611360 /nfs/dbraw/zinc/61/13/60/941611360.db2.gz DJDCYUBYIGUNAI-UHFFFAOYSA-N 2 0 356.341 3.547 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2c1 ZINC000415119923 941617120 /nfs/dbraw/zinc/61/71/20/941617120.db2.gz FVXGXLLRXYFGCR-RBBKRZOGSA-N 2 0 354.494 3.567 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)ccc2c1 ZINC000415119918 941617176 /nfs/dbraw/zinc/61/71/76/941617176.db2.gz FVXGXLLRXYFGCR-IFMALSPDSA-N 2 0 354.494 3.567 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000415123173 941618764 /nfs/dbraw/zinc/61/87/64/941618764.db2.gz AFEAOKQOORXSKD-UXHICEINSA-N 2 0 351.538 3.762 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122717 941619436 /nfs/dbraw/zinc/61/94/36/941619436.db2.gz KLOSLIIRJPURGL-KKSFZXQISA-N 2 0 358.457 3.804 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134885 941621807 /nfs/dbraw/zinc/62/18/07/941621807.db2.gz WHHOSENWFBLWQV-NVXWUHKLSA-N 2 0 360.523 3.752 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)C1 ZINC000415128620 941622612 /nfs/dbraw/zinc/62/26/12/941622612.db2.gz SOOBBAMDHJEXPS-RHSMWYFYSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127766 941622701 /nfs/dbraw/zinc/62/27/01/941622701.db2.gz RETYMQSTSPJLGY-KXBFYZLASA-N 2 0 354.897 3.630 20 0 FHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000178312945 941628514 /nfs/dbraw/zinc/62/85/14/941628514.db2.gz WSGBEDBBDXWCKI-NQIIRXRSSA-N 2 0 355.551 3.815 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659843148 941711001 /nfs/dbraw/zinc/71/10/01/941711001.db2.gz LKNNMDNSJIJUBU-LJQANCHMSA-N 2 0 361.555 3.543 20 0 FHADRP C[C@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513214910 941785016 /nfs/dbraw/zinc/78/50/16/941785016.db2.gz KUOQARZOLJBDTA-GJZGRUSLSA-N 2 0 362.481 3.831 20 0 FHADRP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231106 941788601 /nfs/dbraw/zinc/78/86/01/941788601.db2.gz BTSXYFXVKUEYKU-CTNGQTDRSA-N 2 0 373.585 3.519 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+]CC(c2ccccc2)c2ccccc2)CCCO1 ZINC000513252660 941818655 /nfs/dbraw/zinc/81/86/55/941818655.db2.gz MTUYMLLNWDFAMH-FQEVSTJZSA-N 2 0 352.522 3.909 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000513332351 941857943 /nfs/dbraw/zinc/85/79/43/941857943.db2.gz ZXCHXBIYFHLSOU-PKOBYXMFSA-N 2 0 364.603 3.911 20 0 FHADRP Clc1cc(Cl)cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000893014013 941881426 /nfs/dbraw/zinc/88/14/26/941881426.db2.gz VCMSIFQREZACNC-HNNXBMFYSA-N 2 0 357.325 3.626 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000513469149 941945669 /nfs/dbraw/zinc/94/56/69/941945669.db2.gz NHEJLLSSWJAISG-AUSIDOKSSA-N 2 0 351.538 3.891 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000665283872 941959769 /nfs/dbraw/zinc/95/97/69/941959769.db2.gz WPLAVLDUJHTDNS-NVXWUHKLSA-N 2 0 355.320 3.560 20 0 FHADRP CCOc1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510283 941972046 /nfs/dbraw/zinc/97/20/46/941972046.db2.gz AWVLQYFUFFCFAP-QUCCMNQESA-N 2 0 353.510 3.871 20 0 FHADRP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000430022607 941990524 /nfs/dbraw/zinc/99/05/24/941990524.db2.gz LSXPWTHRYRXDSC-GOSISDBHSA-N 2 0 356.514 3.625 20 0 FHADRP Cc1ncc(CN2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)[C@@H](C)C2)s1 ZINC000377793494 941995724 /nfs/dbraw/zinc/99/57/24/941995724.db2.gz SJYCKNPHZBDNMK-SGTLLEGYSA-N 2 0 351.466 3.730 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513544193 942004842 /nfs/dbraw/zinc/00/48/42/942004842.db2.gz FFWJLPLTITZWNN-AZUAARDMSA-N 2 0 366.505 3.848 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000415789257 942053352 /nfs/dbraw/zinc/05/33/52/942053352.db2.gz NWCMDWBKADODDH-XOBRGWDASA-N 2 0 352.482 3.577 20 0 FHADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513661846 942070956 /nfs/dbraw/zinc/07/09/56/942070956.db2.gz RERAOVSYPHUGDG-NJDAHSKKSA-N 2 0 371.569 3.572 20 0 FHADRP Cc1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1C ZINC000414352134 942079997 /nfs/dbraw/zinc/07/99/97/942079997.db2.gz SRGCTPRZAKACQZ-UHFFFAOYSA-N 2 0 354.542 3.553 20 0 FHADRP COC(=O)C[C@@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1C ZINC000280130607 942116761 /nfs/dbraw/zinc/11/67/61/942116761.db2.gz DCVRJHARVSSGFV-WWMYMODYSA-N 2 0 373.541 3.607 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000501927495 942117200 /nfs/dbraw/zinc/11/72/00/942117200.db2.gz KFERDPWZEQTJAF-CQSZACIVSA-N 2 0 374.392 3.577 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1C[NH2+]C ZINC000415906670 942135301 /nfs/dbraw/zinc/13/53/01/942135301.db2.gz YNYFZSHVKDPSOC-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000415914203 942136670 /nfs/dbraw/zinc/13/66/70/942136670.db2.gz VFUINFIWNMNELZ-SFHVURJKSA-N 2 0 372.557 3.914 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000415914020 942136963 /nfs/dbraw/zinc/13/69/63/942136963.db2.gz UAQDJDJARASYJW-UHFFFAOYSA-N 2 0 372.557 3.770 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415926487 942161982 /nfs/dbraw/zinc/16/19/82/942161982.db2.gz ZKGIZJQNLGJWIL-WMZOPIPTSA-N 2 0 358.530 3.571 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000415928528 942164766 /nfs/dbraw/zinc/16/47/66/942164766.db2.gz FRKSOQTXDIVIDP-LJQANCHMSA-N 2 0 374.916 3.874 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931337 942166608 /nfs/dbraw/zinc/16/66/08/942166608.db2.gz KTGYNOMTTQRZQE-DYESRHJHSA-N 2 0 366.509 3.581 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000415943299 942173881 /nfs/dbraw/zinc/17/38/81/942173881.db2.gz LJBSGKCKQQQSMV-GOSISDBHSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000415942923 942174594 /nfs/dbraw/zinc/17/45/94/942174594.db2.gz KSLIYGHALMOOGN-OAQYLSRUSA-N 2 0 366.509 3.755 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000415947936 942181076 /nfs/dbraw/zinc/18/10/76/942181076.db2.gz XOIFJZOCWAUVCF-UHFFFAOYSA-N 2 0 368.525 3.960 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000415953347 942193513 /nfs/dbraw/zinc/19/35/13/942193513.db2.gz LEGMTJWOGNRHKK-RTBURBONSA-N 2 0 372.557 3.914 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000415952707 942193553 /nfs/dbraw/zinc/19/35/53/942193553.db2.gz KBXRFZBPVUMGBQ-UHFFFAOYSA-N 2 0 360.546 3.676 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415974141 942210857 /nfs/dbraw/zinc/21/08/57/942210857.db2.gz PYJJPEOHLANJRW-NRFANRHFSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000415974238 942211315 /nfs/dbraw/zinc/21/13/15/942211315.db2.gz QMCCDCMDWLJQSM-UHFFFAOYSA-N 2 0 374.916 3.655 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000415968027 942212895 /nfs/dbraw/zinc/21/28/95/942212895.db2.gz BXJRRPZQFQYSMQ-KRWDZBQOSA-N 2 0 366.509 3.753 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000415980880 942225220 /nfs/dbraw/zinc/22/52/20/942225220.db2.gz AVFCMOQVAJLQIT-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415980967 942225787 /nfs/dbraw/zinc/22/57/87/942225787.db2.gz UFXJVIOMCGRVNO-HXUWFJFHSA-N 2 0 366.509 3.521 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501009567 942255810 /nfs/dbraw/zinc/25/58/10/942255810.db2.gz CZDSLYDZQQJCAJ-INIZCTEOSA-N 2 0 357.464 3.772 20 0 FHADRP C[N@H+](CCOc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023914 942267197 /nfs/dbraw/zinc/26/71/97/942267197.db2.gz AURMBZQTVZRXLU-UHFFFAOYSA-N 2 0 359.901 3.962 20 0 FHADRP O[C@H]1C[C@@H](C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420973347 942286138 /nfs/dbraw/zinc/28/61/38/942286138.db2.gz NBDJHKCSJQUZJV-WWNPGLIZSA-N 2 0 356.554 3.914 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000584559531 942335699 /nfs/dbraw/zinc/33/56/99/942335699.db2.gz VCWDWAWRENFEFD-MLCQCVOFSA-N 2 0 355.570 3.751 20 0 FHADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000378159095 942336185 /nfs/dbraw/zinc/33/61/85/942336185.db2.gz CJLFSICLUZYJMT-PMAMDCHESA-N 2 0 372.553 3.633 20 0 FHADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378190816 942373070 /nfs/dbraw/zinc/37/30/70/942373070.db2.gz MWSLLOVEQKAZQF-CWRNSKLLSA-N 2 0 355.979 3.509 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378192511 942375408 /nfs/dbraw/zinc/37/54/08/942375408.db2.gz ZGHDKOACGGMCKC-YESZJQIVSA-N 2 0 370.006 3.901 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cc1 ZINC000378207878 942388086 /nfs/dbraw/zinc/38/80/86/942388086.db2.gz SQHNQBQMANGBPV-SFHVURJKSA-N 2 0 357.542 3.617 20 0 FHADRP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501285809 942388178 /nfs/dbraw/zinc/38/81/78/942388178.db2.gz RGUMXTXVJRXQTA-HJNYFJLDSA-N 2 0 371.569 3.935 20 0 FHADRP Cc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000549401480 942400631 /nfs/dbraw/zinc/40/06/31/942400631.db2.gz ITDQGTSEKVBNBY-UHFFFAOYSA-N 2 0 354.542 3.949 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501340327 942408440 /nfs/dbraw/zinc/40/84/40/942408440.db2.gz IGXDRZZOPHCJCG-OAQYLSRUSA-N 2 0 359.558 3.650 20 0 FHADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713564 942430461 /nfs/dbraw/zinc/43/04/61/942430461.db2.gz QCTMBTTYFQVFMG-WSWWRLHASA-N 2 0 371.569 3.572 20 0 FHADRP C[NH+](C)[C@H](CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)c1ccccc1 ZINC000416196477 942472142 /nfs/dbraw/zinc/47/21/42/942472142.db2.gz WVGDCURSOBUVHM-JOCHJYFZSA-N 2 0 365.521 3.955 20 0 FHADRP C[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000513713758 942475319 /nfs/dbraw/zinc/47/53/19/942475319.db2.gz SSHSCZGHFGSBNY-UHFFFAOYSA-N 2 0 354.542 3.943 20 0 FHADRP Cc1ccnc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000513713746 942475357 /nfs/dbraw/zinc/47/53/57/942475357.db2.gz SNCOGEUYPYJCPK-HXUWFJFHSA-N 2 0 352.526 3.643 20 0 FHADRP CCOc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414829520 942477169 /nfs/dbraw/zinc/47/71/69/942477169.db2.gz KRYWIOUCUCNHSS-GOSISDBHSA-N 2 0 354.494 3.754 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000501491934 942500615 /nfs/dbraw/zinc/50/06/15/942500615.db2.gz PPLZFAGPQYJRHQ-BBLCHGJFSA-N 2 0 370.459 3.935 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421369524 942520092 /nfs/dbraw/zinc/52/00/92/942520092.db2.gz HXMBEVJYSWUTOK-WLYUNCDWSA-N 2 0 371.447 3.885 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000501519961 942522421 /nfs/dbraw/zinc/52/24/21/942522421.db2.gz WAORQJOQKACVCN-OALUTQOASA-N 2 0 374.573 3.591 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000421372033 942524166 /nfs/dbraw/zinc/52/41/66/942524166.db2.gz LRPWVDWLVKRVFH-FHERZECASA-N 2 0 351.922 3.828 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000513831149 942546641 /nfs/dbraw/zinc/54/66/41/942546641.db2.gz LGIXXCOUAYBLKO-OAQYLSRUSA-N 2 0 357.542 3.523 20 0 FHADRP C[NH+](C)[C@H](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000416248297 942549904 /nfs/dbraw/zinc/54/99/04/942549904.db2.gz QRQNLJXSZMHJFM-NHCUHLMSSA-N 2 0 351.494 3.867 20 0 FHADRP C[C@H]1CCC[C@@](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)([NH+](C)C)C1 ZINC000549416669 942585899 /nfs/dbraw/zinc/58/58/99/942585899.db2.gz ZFANDQRMUOXKJF-PGRDOPGGSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420292592 942608619 /nfs/dbraw/zinc/60/86/19/942608619.db2.gz LTHMIKLSVRLYRF-MGPUTAFESA-N 2 0 355.457 3.565 20 0 FHADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420301807 942611313 /nfs/dbraw/zinc/61/13/13/942611313.db2.gz AZPUBNFRYBIPJA-RXVVDRJESA-N 2 0 351.494 3.736 20 0 FHADRP CCn1ccnc1C[N@H+](CCCCC(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000420311607 942615021 /nfs/dbraw/zinc/61/50/21/942615021.db2.gz NUCBVUYDSZWBQQ-OAHLLOKOSA-N 2 0 358.452 3.580 20 0 FHADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000420311389 942615995 /nfs/dbraw/zinc/61/59/95/942615995.db2.gz VSIQOCDVIHLLMN-WFASDCNBSA-N 2 0 355.345 3.917 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2CN([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@@H]12 ZINC000420312558 942616335 /nfs/dbraw/zinc/61/63/35/942616335.db2.gz SLYNCNFSDCRWQX-ZEFBCVDJSA-N 2 0 359.473 3.761 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420324603 942617438 /nfs/dbraw/zinc/61/74/38/942617438.db2.gz ZXDJJGBLDKLBFP-HNNXBMFYSA-N 2 0 358.507 3.509 20 0 FHADRP C[C@@]1(C[NH3+])CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420315418 942617964 /nfs/dbraw/zinc/61/79/64/942617964.db2.gz MDUSUITVRZEMOU-SFHVURJKSA-N 2 0 360.914 3.887 20 0 FHADRP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420319495 942620214 /nfs/dbraw/zinc/62/02/14/942620214.db2.gz AEYGZMPYGPSBOD-UONOGXRCSA-N 2 0 363.477 3.910 20 0 FHADRP O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420338621 942623036 /nfs/dbraw/zinc/62/30/36/942623036.db2.gz PUXFCDGCWMVLCW-QFIPXVFZSA-N 2 0 363.505 3.903 20 0 FHADRP O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420338620 942623305 /nfs/dbraw/zinc/62/33/05/942623305.db2.gz PUXFCDGCWMVLCW-JOCHJYFZSA-N 2 0 363.505 3.903 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341985 942624808 /nfs/dbraw/zinc/62/48/08/942624808.db2.gz PDDWUEOLQAUESH-UAGQMJEPSA-N 2 0 358.461 3.567 20 0 FHADRP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341179 942624911 /nfs/dbraw/zinc/62/49/11/942624911.db2.gz NYDBYYGKHHQIEL-JXFKEZNVSA-N 2 0 351.494 3.631 20 0 FHADRP COc1cccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000420342110 942624937 /nfs/dbraw/zinc/62/49/37/942624937.db2.gz WLEDHTPMSGVIAF-IBGZPJMESA-N 2 0 357.523 3.783 20 0 FHADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420344678 942626260 /nfs/dbraw/zinc/62/62/60/942626260.db2.gz UOXWIDFNGGYISY-NRFANRHFSA-N 2 0 365.521 3.657 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346222 942627874 /nfs/dbraw/zinc/62/78/74/942627874.db2.gz XTRHGPYSKCOWSK-OXQOHEQNSA-N 2 0 357.542 3.602 20 0 FHADRP CCSc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414524982 942628292 /nfs/dbraw/zinc/62/82/92/942628292.db2.gz LJEBLLNYQVSWFF-UHFFFAOYSA-N 2 0 370.562 3.915 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Oc3ccc(C)cc3)CC2)cc1 ZINC000420328349 942630096 /nfs/dbraw/zinc/63/00/96/942630096.db2.gz ZEYFGVFTDIWCOQ-LJQANCHMSA-N 2 0 354.494 3.589 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420385769 942648841 /nfs/dbraw/zinc/64/88/41/942648841.db2.gz HZVSZQFCVRJTOW-XWIAVFTESA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398455 942655377 /nfs/dbraw/zinc/65/53/77/942655377.db2.gz YSTUPMZEJQQUHK-QAPCUYQASA-N 2 0 373.324 3.591 20 0 FHADRP CCN1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420414595 942656969 /nfs/dbraw/zinc/65/69/69/942656969.db2.gz UMNNSMFGLOEESV-OALUTQOASA-N 2 0 353.913 3.594 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cnn(C2CCCC2)c1 ZINC000502685045 942658791 /nfs/dbraw/zinc/65/87/91/942658791.db2.gz HWRXKQRDJBQKAF-QGZVFWFLSA-N 2 0 356.514 3.789 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000514014203 942671004 /nfs/dbraw/zinc/67/10/04/942671004.db2.gz WDVZERVGEKPYIW-UHFFFAOYSA-N 2 0 374.573 3.592 20 0 FHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000502708589 942674118 /nfs/dbraw/zinc/67/41/18/942674118.db2.gz QREIZWAZJQTQFD-GMAHTHKFSA-N 2 0 373.585 3.692 20 0 FHADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502723883 942696116 /nfs/dbraw/zinc/69/61/16/942696116.db2.gz SGFRUESFLWOYRB-RBBKRZOGSA-N 2 0 360.542 3.702 20 0 FHADRP COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000378404880 942729780 /nfs/dbraw/zinc/72/97/80/942729780.db2.gz QETNLURFFKGQCN-OXJNMPFZSA-N 2 0 370.493 3.810 20 0 FHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000514092857 942742229 /nfs/dbraw/zinc/74/22/29/942742229.db2.gz GLHJZHMBKPUZFE-OTWHNJEPSA-N 2 0 355.530 3.676 20 0 FHADRP [NH3+]C1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCCC1 ZINC000414847393 942760016 /nfs/dbraw/zinc/76/00/16/942760016.db2.gz UWQWYFDBBIYGJJ-UHFFFAOYSA-N 2 0 353.913 3.695 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502815057 942766292 /nfs/dbraw/zinc/76/62/92/942766292.db2.gz NMWQWNCRWSQHAZ-OALUTQOASA-N 2 0 374.573 3.680 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000182769299 942785340 /nfs/dbraw/zinc/78/53/40/942785340.db2.gz BZGWEXZPKRKESK-FQEVSTJZSA-N 2 0 354.485 3.832 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280810826 942786236 /nfs/dbraw/zinc/78/62/36/942786236.db2.gz JDPMYQCDVCJAQM-QHCPKHFHSA-N 2 0 365.521 3.669 20 0 FHADRP CC1(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCCCCC1 ZINC000414549625 942795211 /nfs/dbraw/zinc/79/52/11/942795211.db2.gz BAYRCKIZPMNGDM-UHFFFAOYSA-N 2 0 371.569 3.834 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000502862844 942810795 /nfs/dbraw/zinc/81/07/95/942810795.db2.gz OKCBZRWMSJDXRU-LJQANCHMSA-N 2 0 366.594 3.595 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000514211160 942820426 /nfs/dbraw/zinc/82/04/26/942820426.db2.gz OHJJVEMCHZZVKQ-LSTHTHJFSA-N 2 0 368.949 3.754 20 0 FHADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414849209 942828633 /nfs/dbraw/zinc/82/86/33/942828633.db2.gz XSEHDSSBKUWSML-QGZVFWFLSA-N 2 0 372.484 3.893 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421820578 942831434 /nfs/dbraw/zinc/83/14/34/942831434.db2.gz MWVGHIOPLWVCGC-OAQYLSRUSA-N 2 0 365.537 3.539 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421819189 942845601 /nfs/dbraw/zinc/84/56/01/942845601.db2.gz FQGNBMPFIBSDFZ-KRWDZBQOSA-N 2 0 372.944 3.723 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000421843035 942856153 /nfs/dbraw/zinc/85/61/53/942856153.db2.gz MBIGPZZDUKAPJY-UAOJZALGSA-N 2 0 368.924 3.768 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421877542 942861910 /nfs/dbraw/zinc/86/19/10/942861910.db2.gz LXTSTPHXVHRNCA-AOMIVXANSA-N 2 0 353.510 3.836 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000502960369 942877412 /nfs/dbraw/zinc/87/74/12/942877412.db2.gz NVSKEYHKQAPBPM-QRVBRYPASA-N 2 0 374.573 3.678 20 0 FHADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000378556424 942887478 /nfs/dbraw/zinc/88/74/78/942887478.db2.gz ZZJQPJPZMHTNNF-RTBURBONSA-N 2 0 369.475 3.611 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000273218737 942910390 /nfs/dbraw/zinc/91/03/90/942910390.db2.gz MQMILDXGKDZYPC-MRXNPFEDSA-N 2 0 363.571 3.649 20 0 FHADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075087 942959953 /nfs/dbraw/zinc/95/99/53/942959953.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 2 0 373.589 3.683 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000503220807 943064280 /nfs/dbraw/zinc/06/42/80/943064280.db2.gz IXDUYIZCYVZYEK-UXHICEINSA-N 2 0 365.606 3.761 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000414661152 943139510 /nfs/dbraw/zinc/13/95/10/943139510.db2.gz OBLLOJMUGZCKSN-UHFFFAOYSA-N 2 0 358.530 3.730 20 0 FHADRP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272381946 943146392 /nfs/dbraw/zinc/14/63/92/943146392.db2.gz BZCQXFGIUIVYBF-UWJYYQICSA-N 2 0 351.494 3.645 20 0 FHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664866 943155923 /nfs/dbraw/zinc/15/59/23/943155923.db2.gz UJSOCIREMOLDBY-GJZGRUSLSA-N 2 0 360.933 3.992 20 0 FHADRP Cc1noc(C2CCC([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536237 943173179 /nfs/dbraw/zinc/17/31/79/943173179.db2.gz BEOYDFDXIOMZRD-ZEXAPNKDSA-N 2 0 368.525 3.904 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2)cs1 ZINC000422560669 943182171 /nfs/dbraw/zinc/18/21/71/943182171.db2.gz HKKLLIXZAJAYDC-VKJFTORMSA-N 2 0 359.539 3.836 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2)cs1 ZINC000422560668 943182456 /nfs/dbraw/zinc/18/24/56/943182456.db2.gz HKKLLIXZAJAYDC-RKVPGOIHSA-N 2 0 359.539 3.836 20 0 FHADRP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422696102 943235085 /nfs/dbraw/zinc/23/50/85/943235085.db2.gz QSIUNCUZLBANSK-SJLPKXTDSA-N 2 0 355.482 3.880 20 0 FHADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000047968226 943237110 /nfs/dbraw/zinc/23/71/10/943237110.db2.gz XYFNHAVTTGLAHO-GOSISDBHSA-N 2 0 356.432 3.547 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422690785 943245769 /nfs/dbraw/zinc/24/57/69/943245769.db2.gz GWRVWJOIEQFWKC-QZTJIDSGSA-N 2 0 355.482 3.880 20 0 FHADRP COc1ccc([C@H](NC[C@H](c2cccc(F)c2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422731976 943249933 /nfs/dbraw/zinc/24/99/33/943249933.db2.gz OQSLLHMEWFJAGI-VSKRKVRLSA-N 2 0 371.500 3.520 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422732260 943250104 /nfs/dbraw/zinc/25/01/04/943250104.db2.gz NUCADBAYYAGJMZ-LBPRGKRZSA-N 2 0 353.388 3.641 20 0 FHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734753 943251559 /nfs/dbraw/zinc/25/15/59/943251559.db2.gz TXNNTEPMGWNATK-RDTXWAMCSA-N 2 0 356.341 3.675 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714786 943253954 /nfs/dbraw/zinc/25/39/54/943253954.db2.gz RNFBHBTZNJFATA-PXNSSMCTSA-N 2 0 355.457 3.685 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714473 943254136 /nfs/dbraw/zinc/25/41/36/943254136.db2.gz RBRBGQVWDYDEPT-LPHOPBHVSA-N 2 0 369.475 3.777 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714448 943254273 /nfs/dbraw/zinc/25/42/73/943254273.db2.gz QZNSQQWZVCXFJV-KXBFYZLASA-N 2 0 369.475 3.648 20 0 FHADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422723517 943258967 /nfs/dbraw/zinc/25/89/67/943258967.db2.gz RQRSJOYTJFFIEU-HYVNUMGLSA-N 2 0 352.906 3.758 20 0 FHADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422759107 943262355 /nfs/dbraw/zinc/26/23/55/943262355.db2.gz KGLXFYJGYPTXQA-UGKGYDQZSA-N 2 0 354.469 3.949 20 0 FHADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757790 943262449 /nfs/dbraw/zinc/26/24/49/943262449.db2.gz IYZXRTXOKMVNOL-OYSPMZIOSA-N 2 0 369.475 3.818 20 0 FHADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757781 943262548 /nfs/dbraw/zinc/26/25/48/943262548.db2.gz IYZXRTXOKMVNOL-CBVHJVASSA-N 2 0 369.475 3.818 20 0 FHADRP CC[C@H]1C[C@@H](C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000503581478 943263125 /nfs/dbraw/zinc/26/31/25/943263125.db2.gz OAURJBOMLJXTCT-VXKWHMMOSA-N 2 0 374.569 3.853 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000273041464 943264328 /nfs/dbraw/zinc/26/43/28/943264328.db2.gz IQUMERBJFOJWNT-RTBURBONSA-N 2 0 359.558 3.512 20 0 FHADRP CN(CCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422745257 943269720 /nfs/dbraw/zinc/26/97/20/943269720.db2.gz XLIKNWPWMOTXGB-GMAHTHKFSA-N 2 0 365.521 3.749 20 0 FHADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000422756509 943274843 /nfs/dbraw/zinc/27/48/43/943274843.db2.gz LPBWLVTYVKQTCZ-HSALFYBXSA-N 2 0 360.542 3.927 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769310 943276652 /nfs/dbraw/zinc/27/66/52/943276652.db2.gz OPIYSFMMVDYKAN-VFNWGFHPSA-N 2 0 355.482 3.668 20 0 FHADRP COc1ccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771848 943277515 /nfs/dbraw/zinc/27/75/15/943277515.db2.gz RRFYTILEDBBHFG-SIKLNZKXSA-N 2 0 354.494 3.719 20 0 FHADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000422773430 943278214 /nfs/dbraw/zinc/27/82/14/943278214.db2.gz YQEGAEMJISOTSW-WSWWRLHASA-N 2 0 373.585 3.643 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422777627 943279357 /nfs/dbraw/zinc/27/93/57/943279357.db2.gz FVUVYARBHBNBKN-GOTSBHOMSA-N 3 0 365.521 3.642 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422782211 943280828 /nfs/dbraw/zinc/28/08/28/943280828.db2.gz JPHPMPWZDRKQJV-HNNXBMFYSA-N 2 0 350.409 3.601 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422764460 943284845 /nfs/dbraw/zinc/28/48/45/943284845.db2.gz PQYYGSVPWGFUAL-XUVXKRRUSA-N 2 0 362.945 3.899 20 0 FHADRP c1ccc2c(c1)cccc2CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422765033 943284864 /nfs/dbraw/zinc/28/48/64/943284864.db2.gz PYLKVNXOBHBVGN-YPAWHYETSA-N 2 0 370.562 3.820 20 0 FHADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766155 943285710 /nfs/dbraw/zinc/28/57/10/943285710.db2.gz LLZTXADZYIPKIH-WQFQCULDSA-N 2 0 368.477 3.610 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000422797893 943287882 /nfs/dbraw/zinc/28/78/82/943287882.db2.gz OXVXTSPELZOLJL-QFIXIFRTSA-N 2 0 372.896 3.953 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422804897 943289434 /nfs/dbraw/zinc/28/94/34/943289434.db2.gz IFRIARXAAUSICA-AWEZNQCLSA-N 2 0 373.444 3.672 20 0 FHADRP CCOCc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810009 943290774 /nfs/dbraw/zinc/29/07/74/943290774.db2.gz QSOIRWRCJOSPAF-IFMALSPDSA-N 2 0 352.478 3.569 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810657 943291919 /nfs/dbraw/zinc/29/19/19/943291919.db2.gz UNXLNTRNYDYECB-KGLIPLIRSA-N 2 0 352.482 3.609 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422791669 943293980 /nfs/dbraw/zinc/29/39/80/943293980.db2.gz QMXGCQBQHNSQKP-QGZVFWFLSA-N 3 0 352.526 3.685 20 0 FHADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791457 943294255 /nfs/dbraw/zinc/29/42/55/943294255.db2.gz YNFRPRCTXIATGO-DKZVUGQWSA-N 2 0 352.478 3.992 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422822841 943295530 /nfs/dbraw/zinc/29/55/30/943295530.db2.gz KUNQQDYUEJMVJL-GUDVDZBRSA-N 2 0 358.526 3.636 20 0 FHADRP Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422822304 943296761 /nfs/dbraw/zinc/29/67/61/943296761.db2.gz AODMPWHEOFKLFN-PTUXOGIPSA-N 2 0 351.538 3.680 20 0 FHADRP Clc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422828908 943298006 /nfs/dbraw/zinc/29/80/06/943298006.db2.gz UDVRZDLDCSNPJD-RYQLBKOJSA-N 2 0 357.325 3.673 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832150 943299085 /nfs/dbraw/zinc/29/90/85/943299085.db2.gz URMZCZVZZUHNTM-DYESRHJHSA-N 3 0 357.567 3.508 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837976 943301142 /nfs/dbraw/zinc/30/11/42/943301142.db2.gz NJAMLHAPYUKBNM-MUIFIZLQSA-N 2 0 367.331 3.727 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)Oc1ccccc1Br ZINC000422841276 943301998 /nfs/dbraw/zinc/30/19/98/943301998.db2.gz VLNCNJRJDPHPEI-OAUYIBNBSA-N 2 0 361.283 3.951 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000422818729 943303584 /nfs/dbraw/zinc/30/35/84/943303584.db2.gz HAZXREQCJOJVDT-SLFFLAALSA-N 2 0 372.534 3.670 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422851256 943305852 /nfs/dbraw/zinc/30/58/52/943305852.db2.gz WSEVDCJUVUXIRL-FHLIZLRMSA-N 2 0 353.913 3.594 20 0 FHADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422843982 943312425 /nfs/dbraw/zinc/31/24/25/943312425.db2.gz KLJWSLUZJOZEJR-JTHBVZDNSA-N 2 0 361.489 3.864 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877243 943313609 /nfs/dbraw/zinc/31/36/09/943313609.db2.gz HMEDQUYWKIPEHG-GUYCJALGSA-N 2 0 357.325 3.759 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422875989 943313786 /nfs/dbraw/zinc/31/37/86/943313786.db2.gz FAHNYFKIODQAEN-NVXWUHKLSA-N 2 0 372.944 3.988 20 0 FHADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422891852 943314302 /nfs/dbraw/zinc/31/43/02/943314302.db2.gz LSGMEKITWFOHHD-PWRODBHTSA-N 2 0 356.558 3.718 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422879323 943314443 /nfs/dbraw/zinc/31/44/43/943314443.db2.gz VARWHBOVTXGRKW-XRXFAXGQSA-N 2 0 358.526 3.563 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422880122 943314874 /nfs/dbraw/zinc/31/48/74/943314874.db2.gz NFVUCAHBEVYLNO-RSPOEFSDSA-N 2 0 361.961 3.985 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1Br ZINC000422880359 943315122 /nfs/dbraw/zinc/31/51/22/943315122.db2.gz NZKZSYJPOCWJCU-USXIJHARSA-N 2 0 367.331 3.858 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000422882022 943315893 /nfs/dbraw/zinc/31/58/93/943315893.db2.gz OTTUCERXCLKLMQ-VYDXJSESSA-N 2 0 350.503 3.674 20 0 FHADRP c1ccc(-c2cccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422886452 943317758 /nfs/dbraw/zinc/31/77/58/943317758.db2.gz JBLBRLONQFJVSD-RJGXRXQPSA-N 2 0 350.506 3.643 20 0 FHADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422888178 943318270 /nfs/dbraw/zinc/31/82/70/943318270.db2.gz BXTVFPJNSIXGJF-NASSWSRMSA-N 2 0 357.542 3.615 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422888426 943318642 /nfs/dbraw/zinc/31/86/42/943318642.db2.gz CUCUBAFXWJTBJK-KDOFPFPSSA-N 2 0 352.400 3.676 20 0 FHADRP C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422889987 943319725 /nfs/dbraw/zinc/31/97/25/943319725.db2.gz HECBQSXPRGKIAD-KURKYZTESA-N 2 0 352.526 3.823 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000422872714 943322129 /nfs/dbraw/zinc/32/21/29/943322129.db2.gz IJMWVSZFJWQGHX-IPMKNSEASA-N 2 0 350.934 3.655 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422901300 943324735 /nfs/dbraw/zinc/32/47/35/943324735.db2.gz RWMATJKTZYUFGI-AUSIDOKSSA-N 2 0 351.538 3.508 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422899631 943324738 /nfs/dbraw/zinc/32/47/38/943324738.db2.gz HXNKNZPJWFRCMK-PWRODBHTSA-N 2 0 360.517 3.774 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422901758 943325109 /nfs/dbraw/zinc/32/51/09/943325109.db2.gz CDAKMUOPTXLFQD-REWPJTCUSA-N 2 0 360.505 3.815 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCOCC1 ZINC000422906355 943326645 /nfs/dbraw/zinc/32/66/45/943326645.db2.gz UVHHGDUNDQEWCZ-YJBOKZPZSA-N 2 0 366.933 3.504 20 0 FHADRP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422910968 943328417 /nfs/dbraw/zinc/32/84/17/943328417.db2.gz JRHIHUHOCCCNGC-NFBKMPQASA-N 2 0 364.489 3.963 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1Cl ZINC000422921658 943332138 /nfs/dbraw/zinc/33/21/38/943332138.db2.gz ONXZGKWNCAHWAY-FQELHTAISA-N 2 0 372.896 3.953 20 0 FHADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1)N1CCCCC1 ZINC000422924351 943332509 /nfs/dbraw/zinc/33/25/09/943332509.db2.gz ARDUSHNVYZUEEF-BHDDXSALSA-N 2 0 369.553 3.713 20 0 FHADRP O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422929910 943335387 /nfs/dbraw/zinc/33/53/87/943335387.db2.gz AJZBHNNUPLLLQU-GUDVDZBRSA-N 2 0 363.933 3.959 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422933848 943336344 /nfs/dbraw/zinc/33/63/44/943336344.db2.gz FABGJNKXFWVRCV-VIZZQPHQSA-N 2 0 362.876 3.988 20 0 FHADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CCC[C@H]4[C@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000422935808 943337886 /nfs/dbraw/zinc/33/78/86/943337886.db2.gz DTXJSROVFIIPBY-RCCFBDPRSA-N 2 0 370.566 3.775 20 0 FHADRP C[C@H](CC[N@@H+]1CC[C@H](c2ccncc2)C1)[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000584662848 943339805 /nfs/dbraw/zinc/33/98/05/943339805.db2.gz MWSVKRRENFQTHX-BVYCBKJFSA-N 2 0 350.510 3.534 20 0 FHADRP c1ccc(OCc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422942824 943340780 /nfs/dbraw/zinc/34/07/80/943340780.db2.gz QGIDQCIUYUIECA-RJGXRXQPSA-N 2 0 366.505 3.512 20 0 FHADRP c1ccc(COc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422967509 943343776 /nfs/dbraw/zinc/34/37/76/943343776.db2.gz CCDYIPTUKVARJX-PCCBWWKXSA-N 2 0 351.494 3.671 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422947035 943345529 /nfs/dbraw/zinc/34/55/29/943345529.db2.gz POFDVPGHBBQTTM-VWVQZDBTSA-N 2 0 362.517 3.626 20 0 FHADRP C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414708187 943347012 /nfs/dbraw/zinc/34/70/12/943347012.db2.gz IQXGGPBTIAIBBM-KRWDZBQOSA-N 2 0 358.530 3.524 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000422957746 943349999 /nfs/dbraw/zinc/34/99/99/943349999.db2.gz VLFLILOMLMBVFB-QZTJIDSGSA-N 2 0 350.491 3.872 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422957586 943350126 /nfs/dbraw/zinc/35/01/26/943350126.db2.gz NMRQZZKJWWRYGC-SNVBAGLBSA-N 2 0 352.251 3.601 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422970836 943354625 /nfs/dbraw/zinc/35/46/25/943354625.db2.gz XDEOZRAAEUTOGC-WIYYLYMNSA-N 2 0 360.542 3.783 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422975930 943356032 /nfs/dbraw/zinc/35/60/32/943356032.db2.gz CDHAUFKCOPGPGZ-CRAIPNDOSA-N 2 0 366.933 3.572 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000422978225 943356708 /nfs/dbraw/zinc/35/67/08/943356708.db2.gz YUNSERXFHNMSFP-VWPQPMDRSA-N 2 0 371.525 3.754 20 0 FHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000511604200 943357516 /nfs/dbraw/zinc/35/75/16/943357516.db2.gz DGYBFJPIMZFSCU-PNLCSNJCSA-N 2 0 362.945 3.944 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422980920 943357714 /nfs/dbraw/zinc/35/77/14/943357714.db2.gz MSKCCCAFSKXUJI-YOEHRIQHSA-N 2 0 362.905 3.833 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422996859 943359854 /nfs/dbraw/zinc/35/98/54/943359854.db2.gz ACTBKYXVXBMPMA-IWMITWMQSA-N 2 0 358.457 3.502 20 0 FHADRP C[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000414711764 943365440 /nfs/dbraw/zinc/36/54/40/943365440.db2.gz MXZKTSIIFFTEIV-LPHOPBHVSA-N 2 0 358.530 3.652 20 0 FHADRP C[NH2+]C[C@@H]1CCCN(Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435372756 943365601 /nfs/dbraw/zinc/36/56/01/943365601.db2.gz KTNIWCYKNBUGAI-KRWDZBQOSA-N 2 0 360.933 3.633 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000435377008 943366801 /nfs/dbraw/zinc/36/68/01/943366801.db2.gz XBAITTCJQYLAAT-NVXWUHKLSA-N 2 0 350.466 3.610 20 0 FHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@H]12 ZINC000435379155 943368509 /nfs/dbraw/zinc/36/85/09/943368509.db2.gz LFCJNUUZOLSUQW-ZAAXVRCTSA-N 2 0 369.896 3.761 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](c1ccccc1)N(C)C ZINC000423048711 943368971 /nfs/dbraw/zinc/36/89/71/943368971.db2.gz IKXXIAKGCAMVMZ-ZECSIRQKSA-N 2 0 365.521 3.523 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381302 943369917 /nfs/dbraw/zinc/36/99/17/943369917.db2.gz WANPPBVHMPHMRU-AEFFLSMTSA-N 2 0 366.534 3.829 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423027098 943370067 /nfs/dbraw/zinc/37/00/67/943370067.db2.gz CWZDDBNVKIVICJ-KUHUBIRLSA-N 2 0 370.368 3.936 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423027151 943370381 /nfs/dbraw/zinc/37/03/81/943370381.db2.gz OKQZOJLSNGVZJD-VIFPVBQESA-N 2 0 370.118 3.852 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036964 943373326 /nfs/dbraw/zinc/37/33/26/943373326.db2.gz AYIYOAOXBJVPPP-YYFZDKIDSA-N 2 0 361.892 3.606 20 0 FHADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040650 943375079 /nfs/dbraw/zinc/37/50/79/943375079.db2.gz HSHYQOUXJWDNGN-ARKSPBFVSA-N 2 0 351.897 3.568 20 0 FHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423043971 943375527 /nfs/dbraw/zinc/37/55/27/943375527.db2.gz QHMGCPDXQOZSRP-IPJJNNNSSA-N 2 0 368.452 3.885 20 0 FHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423043973 943375925 /nfs/dbraw/zinc/37/59/25/943375925.db2.gz QHMGCPDXQOZSRP-NNMXDRDESA-N 2 0 368.452 3.885 20 0 FHADRP COCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423058236 943377606 /nfs/dbraw/zinc/37/76/06/943377606.db2.gz BUNCLOYVQJKOMH-SIKLNZKXSA-N 2 0 358.526 3.819 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000423066990 943380555 /nfs/dbraw/zinc/38/05/55/943380555.db2.gz YKVVERQXFXXRRL-VGSWGCGISA-N 2 0 352.526 3.554 20 0 FHADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085193 943388989 /nfs/dbraw/zinc/38/89/89/943388989.db2.gz JZOOLXCUSIARIJ-ADXGEFSYSA-N 2 0 373.507 3.692 20 0 FHADRP CSc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423092092 943391448 /nfs/dbraw/zinc/39/14/48/943391448.db2.gz ANTWJUTZBPWPSM-PZJWPPBQSA-N 2 0 354.519 3.797 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423096527 943392690 /nfs/dbraw/zinc/39/26/90/943392690.db2.gz PDTXJFDCBDJDNA-IEIRFRATSA-N 2 0 369.553 3.629 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097925 943393342 /nfs/dbraw/zinc/39/33/42/943393342.db2.gz RNAWCBIOICIQFD-AYMQEEERSA-N 2 0 355.295 3.941 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423097722 943393444 /nfs/dbraw/zinc/39/34/44/943393444.db2.gz BFGPBBKHJDEHLU-CHWSQXEVSA-N 2 0 357.361 3.910 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423115163 943395717 /nfs/dbraw/zinc/39/57/17/943395717.db2.gz XLPFPTAMGZBVOW-LWYYNNOASA-N 2 0 350.934 3.826 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000423106228 943402169 /nfs/dbraw/zinc/40/21/69/943402169.db2.gz RDTAOJDVHSZTLP-APWZRJJASA-N 2 0 365.949 3.577 20 0 FHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000503885226 943402489 /nfs/dbraw/zinc/40/24/89/943402489.db2.gz KPKDSWMFKBEERW-UURKPOQGSA-N 2 0 350.453 3.647 20 0 FHADRP c1cc(C[N@H+](Cc2ccc3c[nH]nc3c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426644 943405875 /nfs/dbraw/zinc/40/58/75/943405875.db2.gz JHGBJTPXMQOWDC-LJQANCHMSA-N 2 0 352.507 3.769 20 0 FHADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000423146819 943408142 /nfs/dbraw/zinc/40/81/42/943408142.db2.gz BDMOFUMVFMQTQF-MOPGFXCFSA-N 2 0 370.493 3.770 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000503920202 943409418 /nfs/dbraw/zinc/40/94/18/943409418.db2.gz KALYXYASXZLVNW-UHFFFAOYSA-N 2 0 365.315 3.546 20 0 FHADRP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435438961 943417939 /nfs/dbraw/zinc/41/79/39/943417939.db2.gz RZCVPHGPDBQVID-KRWDZBQOSA-N 2 0 360.523 3.910 20 0 FHADRP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435439030 943418065 /nfs/dbraw/zinc/41/80/65/943418065.db2.gz SOYHGUHVIWJLIL-LBPRGKRZSA-N 2 0 363.246 3.624 20 0 FHADRP Cc1cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C[NH+](C)C ZINC000514953440 943418620 /nfs/dbraw/zinc/41/86/20/943418620.db2.gz WNZIMEMDUYAWRB-FQEVSTJZSA-N 2 0 351.494 3.517 20 0 FHADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164789 943423316 /nfs/dbraw/zinc/42/33/16/943423316.db2.gz AGMXXIMBDTXOKI-ZNLUXHQJSA-N 2 0 351.494 3.638 20 0 FHADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C2CC[NH2+]CC2)nc1 ZINC000423177940 943428470 /nfs/dbraw/zinc/42/84/70/943428470.db2.gz FGKMUYLHGSRSCP-NRFANRHFSA-N 2 0 357.929 3.793 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206040 943431022 /nfs/dbraw/zinc/43/10/22/943431022.db2.gz FPZBOMMNWZBOFH-PGRDOPGGSA-N 2 0 354.494 3.577 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423208198 943431282 /nfs/dbraw/zinc/43/12/82/943431282.db2.gz DHRCMRLJKYIDSW-WHXUTIOJSA-N 2 0 350.356 3.810 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423211890 943433527 /nfs/dbraw/zinc/43/35/27/943433527.db2.gz HSCADZOYAISAAZ-IVMQYODDSA-N 2 0 364.493 3.834 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423211889 943433559 /nfs/dbraw/zinc/43/35/59/943433559.db2.gz HSCADZOYAISAAZ-IPJUCJBFSA-N 2 0 364.493 3.834 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423263434 943455395 /nfs/dbraw/zinc/45/53/95/943455395.db2.gz XGLCFLMMWIICGM-CJNGLKHVSA-N 2 0 353.304 3.642 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423243087 943456845 /nfs/dbraw/zinc/45/68/45/943456845.db2.gz GEECDTHWFACFOZ-PGRDOPGGSA-N 2 0 354.494 3.577 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423245418 943457238 /nfs/dbraw/zinc/45/72/38/943457238.db2.gz IVACIUJCELRHKJ-GHMZBOCLSA-N 2 0 350.356 3.540 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423246407 943458021 /nfs/dbraw/zinc/45/80/21/943458021.db2.gz JYFVGILXAZDHRN-QZTJIDSGSA-N 2 0 364.493 3.564 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423250431 943459429 /nfs/dbraw/zinc/45/94/29/943459429.db2.gz VAJOPQYMCZCBHM-NMNUPHIUSA-N 2 0 366.553 3.705 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254559 943460272 /nfs/dbraw/zinc/46/02/72/943460272.db2.gz YMBCCOKQFUENOF-YVEFUNNKSA-N 2 0 362.315 3.897 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000423291567 943465365 /nfs/dbraw/zinc/46/53/65/943465365.db2.gz IWAIWRQBDIHPBS-IWMITWMQSA-N 2 0 373.928 3.521 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000423291903 943465999 /nfs/dbraw/zinc/46/59/99/943465999.db2.gz KLQXFOQFYKAIBX-IAGOWNOFSA-N 2 0 364.493 3.870 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000423310772 943472120 /nfs/dbraw/zinc/47/21/20/943472120.db2.gz OHRQXPDSDKDMMA-KRWDZBQOSA-N 2 0 351.494 3.622 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423292788 943475175 /nfs/dbraw/zinc/47/51/75/943475175.db2.gz OKZWJGOSETTXSV-PBHICJAKSA-N 2 0 356.466 3.952 20 0 FHADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423297616 943476049 /nfs/dbraw/zinc/47/60/49/943476049.db2.gz LAYVMLHTAJORJJ-JQHSSLGASA-N 2 0 352.494 3.942 20 0 FHADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414734826 943477097 /nfs/dbraw/zinc/47/70/97/943477097.db2.gz LFKDZTSYZQRKIU-QGZVFWFLSA-N 2 0 353.514 3.621 20 0 FHADRP CC1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423346103 943478593 /nfs/dbraw/zinc/47/85/93/943478593.db2.gz ZHRLSOSGGXSUFN-OAHLLOKOSA-N 2 0 353.304 3.642 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000423373612 943485584 /nfs/dbraw/zinc/48/55/84/943485584.db2.gz HSZVCNWAMBMSTQ-NHCUHLMSSA-N 2 0 350.462 3.561 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000423380000 943496104 /nfs/dbraw/zinc/49/61/04/943496104.db2.gz MMFJPXBOHYKHOH-IRXDYDNUSA-N 2 0 351.494 3.662 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)[C@H](C)C1 ZINC000417303094 943496536 /nfs/dbraw/zinc/49/65/36/943496536.db2.gz DEQWXVGMYCAWAC-FQBWVUSXSA-N 2 0 350.572 3.967 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@H]32)cc1 ZINC000423391079 943499822 /nfs/dbraw/zinc/49/98/22/943499822.db2.gz PFOUHZZVTNLTMU-TZRRMPRUSA-N 2 0 361.533 3.823 20 0 FHADRP Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC000423391074 943499869 /nfs/dbraw/zinc/49/98/69/943499869.db2.gz PEANDVBPCSSWBE-IBGZPJMESA-N 2 0 357.295 3.699 20 0 FHADRP Fc1cccc(Cl)c1CN1CCC([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000423401384 943499989 /nfs/dbraw/zinc/49/99/89/943499989.db2.gz WBGSJYDRULYADA-UHFFFAOYSA-N 2 0 373.903 3.837 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1I ZINC000423421345 943505260 /nfs/dbraw/zinc/50/52/60/943505260.db2.gz KGUVGEFBNXIYQG-IHRRRGAJSA-N 2 0 372.294 3.707 20 0 FHADRP C[N@@H+]1CCC[C@@H](CNCc2c[nH]cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281446 943508012 /nfs/dbraw/zinc/50/80/12/943508012.db2.gz UUCVOCIODGNVCA-WMLDXEAASA-N 2 0 352.404 3.601 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CC[NH2+]CC1 ZINC000423408559 943509373 /nfs/dbraw/zinc/50/93/73/943509373.db2.gz OWRHGAQFNFHHTL-HNNXBMFYSA-N 2 0 354.922 3.794 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423447267 943513617 /nfs/dbraw/zinc/51/36/17/943513617.db2.gz UEVLHAPHHICLEV-BHYGNILZSA-N 2 0 365.315 3.641 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423461361 943522815 /nfs/dbraw/zinc/52/28/15/943522815.db2.gz CGKOSMOLWFOHKW-XPKDYRNWSA-N 2 0 353.304 3.770 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423480065 943527592 /nfs/dbraw/zinc/52/75/92/943527592.db2.gz MSGFPYMPUDRJPO-GDBMZVCRSA-N 2 0 353.304 3.785 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C(C)C)c(Br)c1 ZINC000423499201 943529569 /nfs/dbraw/zinc/52/95/69/943529569.db2.gz HOLWKJGJFKCDAX-OGHNNQOOSA-N 2 0 355.320 3.872 20 0 FHADRP COc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501020 943529963 /nfs/dbraw/zinc/52/99/63/943529963.db2.gz KUVJJFHMPLIHLC-BEFAXECRSA-N 2 0 355.482 3.784 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000423509650 943532289 /nfs/dbraw/zinc/53/22/89/943532289.db2.gz LRRONOVOQUKSHC-NLNFPOJYSA-N 2 0 356.341 3.860 20 0 FHADRP Cc1c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508490 943532521 /nfs/dbraw/zinc/53/25/21/943532521.db2.gz QWNJAIJUNIVSAK-YWZLYKJASA-N 2 0 367.472 3.846 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423490910 943534994 /nfs/dbraw/zinc/53/49/94/943534994.db2.gz IUIWYCSAFHVSGD-YQVWRLOYSA-N 2 0 364.493 3.691 20 0 FHADRP Clc1ccc(C[NH+]2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000423528521 943538378 /nfs/dbraw/zinc/53/83/78/943538378.db2.gz NKGPYZYNEUCINX-FCHUYYIVSA-N 2 0 369.940 3.650 20 0 FHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)C1 ZINC000423533147 943540542 /nfs/dbraw/zinc/54/05/42/943540542.db2.gz WWJOVKVKBGRTPK-MVVFMWOOSA-N 2 0 359.602 3.773 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519539 943544191 /nfs/dbraw/zinc/54/41/91/943544191.db2.gz PXUPJMNEHPBMDT-OBFZPWGMSA-N 2 0 371.569 3.830 20 0 FHADRP C[C@@H]1CCSCC[N@@H+]1Cc1cncc(C[NH+]2CCSCC[C@@H]2C)c1 ZINC000584761155 943547816 /nfs/dbraw/zinc/54/78/16/943547816.db2.gz HJUFUDQIOHLHAI-CALCHBBNSA-N 2 0 365.612 3.736 20 0 FHADRP NC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423560945 943549508 /nfs/dbraw/zinc/54/95/08/943549508.db2.gz JUDSKJVBIWPBCA-NRFANRHFSA-N 2 0 369.940 3.910 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423536776 943550318 /nfs/dbraw/zinc/55/03/18/943550318.db2.gz AYPRVNFGNVMPDS-OEUWWYETSA-N 2 0 365.315 3.641 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000423545476 943553389 /nfs/dbraw/zinc/55/33/89/943553389.db2.gz CQTZNZGHMPGTQW-INIZCTEOSA-N 2 0 359.464 3.609 20 0 FHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)c1 ZINC000423545835 943553443 /nfs/dbraw/zinc/55/34/43/943553443.db2.gz PLLJGLCMOFPGFQ-SRUXOGRHSA-N 2 0 350.506 3.957 20 0 FHADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423546337 943554302 /nfs/dbraw/zinc/55/43/02/943554302.db2.gz CYVJVZOIYXOQQR-VGOFRKELSA-N 2 0 367.512 3.642 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000423551892 943555240 /nfs/dbraw/zinc/55/52/40/943555240.db2.gz URHQQSSVQCWAIC-FAXLKDOZSA-N 2 0 367.356 3.964 20 0 FHADRP Brc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)s1 ZINC000423555622 943556390 /nfs/dbraw/zinc/55/63/90/943556390.db2.gz YEWKLYBBPFSEGS-OQMKEHIESA-N 2 0 355.345 3.939 20 0 FHADRP CCc1nc(C)c([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000423581026 943563100 /nfs/dbraw/zinc/56/31/00/943563100.db2.gz YPAHSHATAWIURU-INIZCTEOSA-N 2 0 372.582 3.658 20 0 FHADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423579906 943563199 /nfs/dbraw/zinc/56/31/99/943563199.db2.gz WVTKWCSSRHMHMF-OAQYLSRUSA-N 2 0 373.491 3.999 20 0 FHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414752538 943570153 /nfs/dbraw/zinc/57/01/53/943570153.db2.gz LACRSVYPKMEUGL-CABCVRRESA-N 2 0 367.331 3.680 20 0 FHADRP Cc1ncsc1CN(CCOc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000435730253 943573613 /nfs/dbraw/zinc/57/36/13/943573613.db2.gz DCWYRZAPWCLQQY-HNNXBMFYSA-N 2 0 365.930 3.595 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)Cc2ccccc2)cc1)C1CC1 ZINC000511627256 943602400 /nfs/dbraw/zinc/60/24/00/943602400.db2.gz JFIBXCWESAGJAY-UHFFFAOYSA-N 2 0 365.521 3.533 20 0 FHADRP CC(C)(C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000423778785 943615487 /nfs/dbraw/zinc/61/54/87/943615487.db2.gz UELLXCYPNDYPCJ-OAQYLSRUSA-N 2 0 365.521 3.990 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423904809 943643980 /nfs/dbraw/zinc/64/39/80/943643980.db2.gz ORBRQWSYDIFYSP-WSTZPKSXSA-N 2 0 365.521 3.737 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962253 943649914 /nfs/dbraw/zinc/64/99/14/943649914.db2.gz DQZDCPILNWALBD-RTWAWAEBSA-N 2 0 357.542 3.521 20 0 FHADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587522 943735473 /nfs/dbraw/zinc/73/54/73/943735473.db2.gz SMLJOFVTTLEXFG-ICSRJNTNSA-N 2 0 374.573 3.666 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000563065002 943761952 /nfs/dbraw/zinc/76/19/52/943761952.db2.gz BMSPCNLQFKHYAC-IERDGZPVSA-N 2 0 369.509 3.528 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414904689 943806276 /nfs/dbraw/zinc/80/62/76/943806276.db2.gz KKWDLBRPKBSEJS-LSFZQJMJSA-N 2 0 354.538 3.816 20 0 FHADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284159 943836909 /nfs/dbraw/zinc/83/69/09/943836909.db2.gz CVSHRSFNPRWAEO-HNNXBMFYSA-N 2 0 356.466 3.574 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417779304 943876410 /nfs/dbraw/zinc/87/64/10/943876410.db2.gz GSHJYMXMBSNOQP-IBGZPJMESA-N 2 0 371.569 3.865 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424383332 943891992 /nfs/dbraw/zinc/89/19/92/943891992.db2.gz UEHBNFCGLCBJPJ-QGZVFWFLSA-N 2 0 352.526 3.512 20 0 FHADRP CCOc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424385724 943892590 /nfs/dbraw/zinc/89/25/90/943892590.db2.gz WLYNLRKHEVFVFW-CQSZACIVSA-N 2 0 352.906 3.711 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)cc1 ZINC000417840386 943897675 /nfs/dbraw/zinc/89/76/75/943897675.db2.gz MEILWCROGNCFKO-UHFFFAOYSA-N 2 0 353.510 3.520 20 0 FHADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000504917941 943897912 /nfs/dbraw/zinc/89/79/12/943897912.db2.gz DLIBNTSIWZXYCB-XLIONFOSSA-N 2 0 371.569 3.760 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000417868662 943910203 /nfs/dbraw/zinc/91/02/03/943910203.db2.gz CTWDTGGFXFVWNK-NQIIRXRSSA-N 2 0 374.573 3.577 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000424442148 943916959 /nfs/dbraw/zinc/91/69/59/943916959.db2.gz XIRARZDOOHEYOB-FXAWDEMLSA-N 2 0 366.509 3.628 20 0 FHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)OC(C)(C)C)C2)s1 ZINC000517033939 943929693 /nfs/dbraw/zinc/92/96/93/943929693.db2.gz PTQMOJMGARDEAV-MRXNPFEDSA-N 2 0 352.544 3.542 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414790052 943936047 /nfs/dbraw/zinc/93/60/47/943936047.db2.gz ZIBQHKSYYXSUFI-CQSZACIVSA-N 2 0 357.325 3.613 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414790325 943938539 /nfs/dbraw/zinc/93/85/39/943938539.db2.gz AAXDVWJUKRBRJX-NFAWXSAZSA-N 2 0 357.420 3.530 20 0 FHADRP [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414790444 943938610 /nfs/dbraw/zinc/93/86/10/943938610.db2.gz ZVCSDUJCYOUDSX-CQSZACIVSA-N 2 0 362.823 3.546 20 0 FHADRP COc1cc2c(NCc3ccccc3OCC[NH+](C)C)cc[nH+]c2cc1F ZINC000517064050 943965019 /nfs/dbraw/zinc/96/50/19/943965019.db2.gz YBOHPRZJFVABAO-UHFFFAOYSA-N 2 0 369.440 3.935 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794935 943971326 /nfs/dbraw/zinc/97/13/26/943971326.db2.gz GGZXRWIENQELSE-HUUCEWRRSA-N 2 0 360.420 3.634 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000042753212 943974947 /nfs/dbraw/zinc/97/49/47/943974947.db2.gz IHVTZPIFTJRCSR-UHFFFAOYSA-N 2 0 369.509 3.647 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccccc2C(=O)N(C)C)CC1 ZINC000417946817 943992147 /nfs/dbraw/zinc/99/21/47/943992147.db2.gz ZOCHXZFSCDUALU-SFHVURJKSA-N 2 0 365.521 3.704 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000517089321 944005990 /nfs/dbraw/zinc/00/59/90/944005990.db2.gz PPQSZOGXIHXZFQ-FPOVZHCZSA-N 2 0 363.977 3.983 20 0 FHADRP CC[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425462685 944011022 /nfs/dbraw/zinc/01/10/22/944011022.db2.gz WUTZRWRALQRZRZ-GOSISDBHSA-N 2 0 357.542 3.593 20 0 FHADRP C[NH+]1CCC(CC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001207487300 944014185 /nfs/dbraw/zinc/01/41/85/944014185.db2.gz XEEVSUSOFRAVCW-UHFFFAOYSA-N 2 0 356.341 3.847 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000285494257 944015616 /nfs/dbraw/zinc/01/56/16/944015616.db2.gz CFHPYSOINXRNQB-INIZCTEOSA-N 2 0 367.493 3.710 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000500095606 944088418 /nfs/dbraw/zinc/08/84/18/944088418.db2.gz GKYQDJRFZDRJRE-QHCPKHFHSA-N 2 0 357.586 3.747 20 0 FHADRP FC(F)(F)[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)Cc1ccccc1 ZINC000425894807 944092447 /nfs/dbraw/zinc/09/24/47/944092447.db2.gz HKBZWYQVGOWZNS-MRXNPFEDSA-N 2 0 367.415 3.652 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)ccn1 ZINC000437767522 944098314 /nfs/dbraw/zinc/09/83/14/944098314.db2.gz YMHPWXNEIWXQDW-IFMALSPDSA-N 2 0 353.510 3.622 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)ccn1 ZINC000437767524 944098528 /nfs/dbraw/zinc/09/85/28/944098528.db2.gz YMHPWXNEIWXQDW-RBBKRZOGSA-N 2 0 353.510 3.622 20 0 FHADRP CC(=O)Nc1cccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000517202813 944100862 /nfs/dbraw/zinc/10/08/62/944100862.db2.gz ZPXRSGZDALUWFS-IBGZPJMESA-N 2 0 371.550 3.969 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000414816050 944129637 /nfs/dbraw/zinc/12/96/37/944129637.db2.gz ZBORFKKQDGHTKB-GFCCVEGCSA-N 2 0 361.283 3.694 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000414818122 944139228 /nfs/dbraw/zinc/13/92/28/944139228.db2.gz UUOJIMNYLAYSSX-JKSUJKDBSA-N 2 0 373.928 3.887 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000414818242 944140096 /nfs/dbraw/zinc/14/00/96/944140096.db2.gz VCMCSGSRLFOWMS-HOTGVXAUSA-N 2 0 373.928 3.887 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000425929084 944204713 /nfs/dbraw/zinc/20/47/13/944204713.db2.gz TZBZIRNQVVAEDB-OTXOEQGISA-N 2 0 372.553 3.986 20 0 FHADRP COCC1(C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414974558 944252923 /nfs/dbraw/zinc/25/29/23/944252923.db2.gz MJSWJDKKOBDNER-OAHLLOKOSA-N 2 0 358.448 3.632 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@H]2c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000414975332 944264092 /nfs/dbraw/zinc/26/40/92/944264092.db2.gz NWTYNEDTJKDVRU-SFTDATJTSA-N 2 0 360.542 3.716 20 0 FHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167975041 944268601 /nfs/dbraw/zinc/26/86/01/944268601.db2.gz GBUGQPPKIJRAHM-LEKVTHMOSA-N 3 0 368.569 3.559 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436400512 944276727 /nfs/dbraw/zinc/27/67/27/944276727.db2.gz KPAIGGXAILTGPK-AJSBUHFISA-N 2 0 350.506 3.679 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)ccn1 ZINC000436403158 944280118 /nfs/dbraw/zinc/28/01/18/944280118.db2.gz GRUZENUVQPRTTG-CTNGQTDRSA-N 2 0 353.510 3.523 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000925660410 944283305 /nfs/dbraw/zinc/28/33/05/944283305.db2.gz MTKKNAHEFXZXCL-MSOLQXFVSA-N 2 0 363.299 3.552 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413320 944359899 /nfs/dbraw/zinc/35/98/99/944359899.db2.gz XXMMDMQUVNAXON-DNVJHFABSA-N 3 0 355.570 3.881 20 0 FHADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000518426207 944370416 /nfs/dbraw/zinc/37/04/16/944370416.db2.gz CBHPDSZNSOXWKC-OALUTQOASA-N 2 0 361.549 3.685 20 0 FHADRP CC1(C)C[N@H+](CCCn2ccnc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835870 944378720 /nfs/dbraw/zinc/37/87/20/944378720.db2.gz MLYGZOYPMFIMKY-QFIPXVFZSA-N 2 0 366.553 3.896 20 0 FHADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)CC1CCCCC1 ZINC000516054619 944457647 /nfs/dbraw/zinc/45/76/47/944457647.db2.gz WVITYQJTWUCVSS-OAQYLSRUSA-N 2 0 371.569 3.845 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCNCc2cccnc2)c(Cl)c1 ZINC000414888828 944501787 /nfs/dbraw/zinc/50/17/87/944501787.db2.gz YENMGGQIWCCPJH-MRXNPFEDSA-N 2 0 374.916 3.530 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000047039238 944526110 /nfs/dbraw/zinc/52/61/10/944526110.db2.gz ZQFDRJADVULXQX-HDICACEKSA-N 2 0 363.546 3.609 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414995413 944537594 /nfs/dbraw/zinc/53/75/94/944537594.db2.gz FOZVRQKXNXTCFH-IEBWSBKVSA-N 2 0 360.933 3.809 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414996118 944545241 /nfs/dbraw/zinc/54/52/41/944545241.db2.gz GEKKUJJLDLHPNI-JQWIXIFHSA-N 2 0 363.246 3.658 20 0 FHADRP c1cn(-c2ccc(C[NH+]3CCN(c4cc[nH+]c5ccccc54)CC3)cc2)cn1 ZINC000516170967 944554310 /nfs/dbraw/zinc/55/43/10/944554310.db2.gz AEICCKGAWZVRNF-UHFFFAOYSA-N 2 0 369.472 3.743 20 0 FHADRP Cc1cc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175893 944559276 /nfs/dbraw/zinc/55/92/76/944559276.db2.gz XDJDTFUZXQKYMN-IXDOHACOSA-N 2 0 368.949 3.584 20 0 FHADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000093442824 944606805 /nfs/dbraw/zinc/60/68/05/944606805.db2.gz HASOIPWGIBNULG-QHCPKHFHSA-N 2 0 368.521 3.717 20 0 FHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000518708018 944635321 /nfs/dbraw/zinc/63/53/21/944635321.db2.gz HPOKCMQRFKVGRI-VQTJNVASSA-N 2 0 366.594 3.595 20 0 FHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCCC2 ZINC000608073001 944644006 /nfs/dbraw/zinc/64/40/06/944644006.db2.gz JOBCPEXNTGQUOX-VXKWHMMOSA-N 2 0 372.553 3.989 20 0 FHADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000759870698 944646478 /nfs/dbraw/zinc/64/64/78/944646478.db2.gz YJPNRTJMFNHPFX-ZUEVXXBESA-N 2 0 354.897 3.755 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C[C@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270243 944649670 /nfs/dbraw/zinc/64/96/70/944649670.db2.gz KJWSUSWKMLNTPU-RBBKRZOGSA-N 2 0 354.538 3.861 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000414999472 944686089 /nfs/dbraw/zinc/68/60/89/944686089.db2.gz JCFWCLVFFJRUSN-HUUCEWRRSA-N 2 0 353.913 3.551 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506877887 944696553 /nfs/dbraw/zinc/69/65/53/944696553.db2.gz WOMGQELVDUZBMM-UHFFFAOYSA-N 2 0 360.933 3.916 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000506890212 944731292 /nfs/dbraw/zinc/73/12/92/944731292.db2.gz KQOGQLJMRMNPEJ-UHFFFAOYSA-N 2 0 358.505 3.955 20 0 FHADRP Clc1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000506924820 944754870 /nfs/dbraw/zinc/75/48/70/944754870.db2.gz AZEJTYRJUUDOQK-UHFFFAOYSA-N 2 0 358.917 3.834 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000438560685 944770408 /nfs/dbraw/zinc/77/04/08/944770408.db2.gz HJHKHARPUBNFMU-PXNSSMCTSA-N 2 0 357.542 3.639 20 0 FHADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC000518806890 944788046 /nfs/dbraw/zinc/78/80/46/944788046.db2.gz YISFRAFNQODZHF-ICSRJNTNSA-N 2 0 359.558 3.743 20 0 FHADRP CC(C)[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC000518806891 944788241 /nfs/dbraw/zinc/78/82/41/944788241.db2.gz YISFRAFNQODZHF-QUCCMNQESA-N 2 0 359.558 3.743 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000518802097 944796885 /nfs/dbraw/zinc/79/68/85/944796885.db2.gz NOZFVDBDDKONDB-OAQYLSRUSA-N 2 0 369.509 3.649 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000516396304 944814543 /nfs/dbraw/zinc/81/45/43/944814543.db2.gz KEGSFBCYJDMNGW-NRFANRHFSA-N 2 0 357.542 3.523 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195175137 944819600 /nfs/dbraw/zinc/81/96/00/944819600.db2.gz KYVIMWPGPHDIKW-NRFANRHFSA-N 2 0 367.578 3.687 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000500417404 944839523 /nfs/dbraw/zinc/83/95/23/944839523.db2.gz STYADPXMFYKNHL-OAQYLSRUSA-N 2 0 358.526 3.600 20 0 FHADRP Cn1ccnc1[C@@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441670 944863652 /nfs/dbraw/zinc/86/36/52/944863652.db2.gz ACCLMNPLEAAIBJ-CTNGQTDRSA-N 2 0 352.526 3.763 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cs1)c1ccc(C)cc1 ZINC000415004086 944907026 /nfs/dbraw/zinc/90/70/26/944907026.db2.gz NRRVNPKZZLKEKX-SJORKVTESA-N 2 0 372.538 3.743 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)cc1 ZINC000511695079 944909919 /nfs/dbraw/zinc/90/99/19/944909919.db2.gz GKKCTABHRKVBJB-RBUKOAKNSA-N 2 0 359.558 3.769 20 0 FHADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415004961 944959442 /nfs/dbraw/zinc/95/94/42/944959442.db2.gz OMDNFZHRUOGUFG-NBHGPNQESA-N 2 0 356.485 3.748 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)cc2)c1 ZINC000414944593 944964108 /nfs/dbraw/zinc/96/41/08/944964108.db2.gz QFUNMXOPHPWZDO-VFNWGFHPSA-N 2 0 356.466 3.584 20 0 FHADRP [NH3+]CC1(F)CCN(Cc2ccc(C(F)(F)F)cc2Br)CC1 ZINC001222538558 944979598 /nfs/dbraw/zinc/97/95/98/944979598.db2.gz ONVGXOTVKRNJFD-UHFFFAOYSA-N 2 0 369.200 3.731 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CSC)c2)[C@H](C)C1 ZINC000437070128 945003838 /nfs/dbraw/zinc/00/38/38/945003838.db2.gz ALVIHMUPKQSCOD-YLJYHZDGSA-N 2 0 350.572 3.776 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[NH2+]1 ZINC000414949507 945008636 /nfs/dbraw/zinc/00/86/36/945008636.db2.gz NNMHPWGXTBDRJX-AVRDEDQJSA-N 2 0 360.505 3.829 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[NH2+]1 ZINC000414949509 945008779 /nfs/dbraw/zinc/00/87/79/945008779.db2.gz NNMHPWGXTBDRJX-GCJKJVERSA-N 2 0 360.505 3.829 20 0 FHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414950705 945014362 /nfs/dbraw/zinc/01/43/62/945014362.db2.gz GILUWCPIHMSXIW-ZANVPECISA-N 2 0 351.210 3.556 20 0 FHADRP Fc1ccc(Cn2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000187474334 945016427 /nfs/dbraw/zinc/01/64/27/945016427.db2.gz LXHBUAJUKKPJGY-KNQAVFIVSA-N 2 0 368.500 3.519 20 0 FHADRP Cc1c(Cl)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nc2ccccc12 ZINC000516556771 945024721 /nfs/dbraw/zinc/02/47/21/945024721.db2.gz SALCDFPQYDWPBD-UWJYYQICSA-N 2 0 373.928 3.915 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)N1CCC(C)CC1 ZINC000516588796 945050218 /nfs/dbraw/zinc/05/02/18/945050218.db2.gz VDNJIYDLRFVGGN-FQEVSTJZSA-N 2 0 371.569 3.655 20 0 FHADRP C[C@@H]1CC([N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048173 945388692 /nfs/dbraw/zinc/38/86/92/945388692.db2.gz UXBHMMIOEPABDM-PWHSHALESA-N 2 0 369.553 3.563 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000415011725 945462171 /nfs/dbraw/zinc/46/21/71/945462171.db2.gz ICVFHVUIKGAYKI-MRXNPFEDSA-N 2 0 358.530 3.921 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000519480383 945464323 /nfs/dbraw/zinc/46/43/23/945464323.db2.gz VRGYNQDXLPXDSU-WOIUINJBSA-N 2 0 369.553 3.760 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000519480381 945464569 /nfs/dbraw/zinc/46/45/69/945464569.db2.gz VRGYNQDXLPXDSU-JQVVWYNYSA-N 2 0 369.553 3.760 20 0 FHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000280960144 945480477 /nfs/dbraw/zinc/48/04/77/945480477.db2.gz USDDARRQGNIEGU-ZMYBRWDISA-N 2 0 370.459 3.604 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415050777 945502821 /nfs/dbraw/zinc/50/28/21/945502821.db2.gz YQVPEUCNSZKYCG-GWCFXTLKSA-N 2 0 363.246 3.576 20 0 FHADRP C[N@H+](C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417452 945597078 /nfs/dbraw/zinc/59/70/78/945597078.db2.gz NQNBVMXWURNLRL-APZTZJSISA-N 2 0 365.562 3.581 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836148 945798005 /nfs/dbraw/zinc/79/80/05/945798005.db2.gz BYBXPMCYHCWSEH-IAGOWNOFSA-N 2 0 367.965 3.804 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000111043918 945808973 /nfs/dbraw/zinc/80/89/73/945808973.db2.gz FYZJQJMBKOJGJB-MOPGFXCFSA-N 2 0 359.539 3.550 20 0 FHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662745461 945857212 /nfs/dbraw/zinc/85/72/12/945857212.db2.gz DYYZOPWRNKJHKJ-LJQANCHMSA-N 2 0 351.494 3.688 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC2(OC)CCC2)CC1 ZINC000549535658 945859622 /nfs/dbraw/zinc/85/96/22/945859622.db2.gz IWEGFHXFFZDABJ-QGZVFWFLSA-N 2 0 363.521 3.577 20 0 FHADRP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cc2)c1 ZINC000237408229 945904039 /nfs/dbraw/zinc/90/40/39/945904039.db2.gz VZRXVLAIVKVTAT-FQEVSTJZSA-N 2 0 351.538 3.696 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150754860 945972408 /nfs/dbraw/zinc/97/24/08/945972408.db2.gz PITRDNFZNJBLEH-HXUWFJFHSA-N 2 0 363.505 3.857 20 0 FHADRP FC(F)(F)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167974210 945976886 /nfs/dbraw/zinc/97/68/86/945976886.db2.gz QYHYLMJSJAQULD-AYHJJNSGSA-N 2 0 353.432 3.638 20 0 FHADRP Cc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000301824420 945987841 /nfs/dbraw/zinc/98/78/41/945987841.db2.gz NTTWGUDYKIDHSC-GOSISDBHSA-N 2 0 357.473 3.764 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000416226693 946050034 /nfs/dbraw/zinc/05/00/34/946050034.db2.gz VLGLZRRNTLUXRC-PMACEKPBSA-N 2 0 367.493 3.703 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594521081 946074688 /nfs/dbraw/zinc/07/46/88/946074688.db2.gz LMFAYLDPJITEIN-LOXVXLSQSA-N 2 0 364.574 3.841 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105367 946203568 /nfs/dbraw/zinc/20/35/68/946203568.db2.gz QWACQLUYMCQFBG-BZUAXINKSA-N 2 0 354.441 3.649 20 0 FHADRP Cc1ccc2[nH]c(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc2c1C ZINC000473118517 946296684 /nfs/dbraw/zinc/29/66/84/946296684.db2.gz FLVILJKAVLRZCU-UHFFFAOYSA-N 2 0 368.569 3.634 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000651930312 946305390 /nfs/dbraw/zinc/30/53/90/946305390.db2.gz ONSFIMDYHPWFHJ-WZONZLPQSA-N 2 0 356.554 3.877 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C(C)C ZINC000441221375 946311187 /nfs/dbraw/zinc/31/11/87/946311187.db2.gz ACWWHADSMXPMMN-BVYCBKJFSA-N 2 0 360.542 3.681 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C(C)C ZINC000441221379 946311785 /nfs/dbraw/zinc/31/17/85/946311785.db2.gz ACWWHADSMXPMMN-STZQEDGTSA-N 2 0 360.542 3.681 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128981 946434518 /nfs/dbraw/zinc/43/45/18/946434518.db2.gz ICYGABYOTLUUKJ-JTHBVZDNSA-N 2 0 365.521 3.537 20 0 FHADRP Cc1ccc(-c2cccc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)c2)cc1 ZINC000441337853 946446246 /nfs/dbraw/zinc/44/62/46/946446246.db2.gz CCCYESAEQGABRX-UHFFFAOYSA-N 2 0 351.538 3.778 20 0 FHADRP CC[N@H+](CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237594 946516466 /nfs/dbraw/zinc/51/64/66/946516466.db2.gz UPIGDBUZTUSFOJ-REWPJTCUSA-N 2 0 372.601 3.926 20 0 FHADRP C[C@H]1CC([N@H+]2CCc3ccc(=O)[nH]c3CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058140 946592891 /nfs/dbraw/zinc/59/28/91/946592891.db2.gz BDDFJRJLZMBBMU-ROUUACIJSA-N 2 0 365.521 3.629 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1 ZINC000112531574 946644985 /nfs/dbraw/zinc/64/49/85/946644985.db2.gz LMUDLQQMGOEAEM-HNNXBMFYSA-N 2 0 374.554 3.719 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000112518385 946667399 /nfs/dbraw/zinc/66/73/99/946667399.db2.gz YEQZTXLOGNUCFH-OAHLLOKOSA-N 2 0 374.554 3.719 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3Cl)cn2)CC1 ZINC000112529248 946671688 /nfs/dbraw/zinc/67/16/88/946671688.db2.gz XGBUXLDYMTUDIA-MRXNPFEDSA-N 2 0 358.917 3.728 20 0 FHADRP C[C@H]1CN(c2ccccc2C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000550358141 946774546 /nfs/dbraw/zinc/77/45/46/946774546.db2.gz ZIMSAULFOOLRLH-PMACEKPBSA-N 2 0 359.558 3.656 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345617 946872116 /nfs/dbraw/zinc/87/21/16/946872116.db2.gz GUPZGUSDWGSSPU-IPJJNNNSSA-N 2 0 360.542 3.716 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348048 946879692 /nfs/dbraw/zinc/87/96/92/946879692.db2.gz SMWRPLQQEFJGNI-NOVWEMISSA-N 2 0 372.431 3.865 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348391 946892610 /nfs/dbraw/zinc/89/26/10/946892610.db2.gz BVINLWAXGZSNSM-HUHSQHJXSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348624 946893625 /nfs/dbraw/zinc/89/36/25/946893625.db2.gz KTBCNUCCBMRLTJ-QXAKKESOSA-N 2 0 370.459 3.856 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)cc1F ZINC000652354140 946912727 /nfs/dbraw/zinc/91/27/27/946912727.db2.gz NWAOGOYLBVFREM-MAUKXSAKSA-N 2 0 360.477 3.566 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360961 946928350 /nfs/dbraw/zinc/92/83/50/946928350.db2.gz VCLDWXKNUONHKV-NJAFHUGGSA-N 2 0 354.947 3.793 20 0 FHADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361518 946929602 /nfs/dbraw/zinc/92/96/02/946929602.db2.gz JMWVOHGCLTUWFN-UAGQMJEPSA-N 2 0 361.511 3.572 20 0 FHADRP O=C(c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000647978155 946934040 /nfs/dbraw/zinc/93/40/40/946934040.db2.gz NISWUIBFNRFNAK-YADHBBJMSA-N 2 0 369.553 3.524 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1NC(C)=O ZINC000164638480 946941132 /nfs/dbraw/zinc/94/11/32/946941132.db2.gz VRGHLGGJWGRXDX-KRWDZBQOSA-N 2 0 361.530 3.960 20 0 FHADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)cc1 ZINC000647978464 946970657 /nfs/dbraw/zinc/97/06/57/946970657.db2.gz SNUZOSSGGDTAAC-FCHUYYIVSA-N 2 0 365.521 3.872 20 0 FHADRP c1ccc2c(c1)COC21CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995828 947040789 /nfs/dbraw/zinc/04/07/89/947040789.db2.gz RGFSDUOQZSRIHR-WCRBZPEASA-N 2 0 352.522 3.913 20 0 FHADRP C[C@@H]([NH2+]CC(C[NH2+][C@H](C)C1CCOCC1)c1ccccc1)C1CCOCC1 ZINC000639566688 947089229 /nfs/dbraw/zinc/08/92/29/947089229.db2.gz XUDGHYRUWSUYAT-RTBURBONSA-N 2 0 374.569 3.580 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000124572587 947120261 /nfs/dbraw/zinc/12/02/61/947120261.db2.gz SDIUQDRBYDTRPA-IBGZPJMESA-N 2 0 369.484 3.786 20 0 FHADRP CN1CCC([NH+]2CCC(NC(=O)Nc3cccc4ccsc43)CC2)CC1 ZINC000444873651 947299246 /nfs/dbraw/zinc/29/92/46/947299246.db2.gz KDZKKENKGPKARN-UHFFFAOYSA-N 2 0 372.538 3.581 20 0 FHADRP CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000188347129 947542671 /nfs/dbraw/zinc/54/26/71/947542671.db2.gz GUSINAFTQZXABD-UHFFFAOYSA-N 2 0 369.509 3.721 20 0 FHADRP Fc1ccc(Cn2cc(C[NH2+]CCCCC[NH+]3CCCCC3)cn2)cc1 ZINC000189198299 947635643 /nfs/dbraw/zinc/63/56/43/947635643.db2.gz QEHSFNPKHROALL-UHFFFAOYSA-N 2 0 358.505 3.816 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189148858 947646936 /nfs/dbraw/zinc/64/69/36/947646936.db2.gz HTMDGDVYCWIXNR-UHFFFAOYSA-N 2 0 366.484 3.812 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000523876671 947701011 /nfs/dbraw/zinc/70/10/11/947701011.db2.gz OTGBYBSVDNMPHF-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295227 947716097 /nfs/dbraw/zinc/71/60/97/947716097.db2.gz GCXGNJRNVZXXJT-INIZCTEOSA-N 2 0 360.889 3.602 20 0 FHADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295225 947716478 /nfs/dbraw/zinc/71/64/78/947716478.db2.gz GCMOZBQEYRORSF-WMZOPIPTSA-N 2 0 354.498 3.818 20 0 FHADRP c1c(C2CC[NH+](CCSc3ccccc3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327213 947752487 /nfs/dbraw/zinc/75/24/87/947752487.db2.gz GIGMTLBKFGPNIF-UHFFFAOYSA-N 2 0 370.566 3.848 20 0 FHADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376300 947758255 /nfs/dbraw/zinc/75/82/55/947758255.db2.gz LZJBELWHDJFKRB-CVAIRZPRSA-N 2 0 369.484 3.927 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662329121 947760056 /nfs/dbraw/zinc/76/00/56/947760056.db2.gz YYNHFXAAYVAAGR-UHFFFAOYSA-N 2 0 358.917 3.910 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345586 947813032 /nfs/dbraw/zinc/81/30/32/947813032.db2.gz LIAHKABJEWJZCL-OAHLLOKOSA-N 2 0 360.452 3.567 20 0 FHADRP FC(F)(F)COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663346619 947815759 /nfs/dbraw/zinc/81/57/59/947815759.db2.gz BDEGUBUCDLDECO-QGZVFWFLSA-N 2 0 356.432 3.839 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663357271 947840805 /nfs/dbraw/zinc/84/08/05/947840805.db2.gz ICCAJSVJVJNONH-UHFFFAOYSA-N 2 0 353.510 3.670 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662492810 947867933 /nfs/dbraw/zinc/86/79/33/947867933.db2.gz SBUBMXRYDNRNSD-OAQYLSRUSA-N 2 0 371.569 3.553 20 0 FHADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cccc2c1C[NH2+]C2 ZINC000662585772 947914409 /nfs/dbraw/zinc/91/44/09/947914409.db2.gz XQVHGFBOSBWMIP-UHFFFAOYSA-N 2 0 367.518 3.730 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1)C(C)C ZINC000662589611 947916430 /nfs/dbraw/zinc/91/64/30/947916430.db2.gz KSOGPTJRDHXZLH-JOCHJYFZSA-N 2 0 371.569 3.769 20 0 FHADRP CN(c1ccccc1C[NH2+]C1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000536414399 948031927 /nfs/dbraw/zinc/03/19/27/948031927.db2.gz MSWPRPVULHFLSL-UHFFFAOYSA-N 2 0 351.485 3.885 20 0 FHADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466147 948050258 /nfs/dbraw/zinc/05/02/58/948050258.db2.gz OOHFSTBRQCGBAV-KNQAVFIVSA-N 2 0 364.537 3.961 20 0 FHADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467513 948054016 /nfs/dbraw/zinc/05/40/16/948054016.db2.gz GLIYCMXSZHUIEX-MJGOQNOKSA-N 2 0 357.542 3.678 20 0 FHADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472237 948068609 /nfs/dbraw/zinc/06/86/09/948068609.db2.gz ZXUSFJDOLUVBMJ-YLJYHZDGSA-N 2 0 357.542 3.732 20 0 FHADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472236 948068949 /nfs/dbraw/zinc/06/89/49/948068949.db2.gz ZXUSFJDOLUVBMJ-XLIONFOSSA-N 2 0 357.542 3.732 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000473202185 948088919 /nfs/dbraw/zinc/08/89/19/948088919.db2.gz QDVGOUROZSCHEC-RTWAWAEBSA-N 2 0 359.558 3.524 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccccc1 ZINC001167822899 948092764 /nfs/dbraw/zinc/09/27/64/948092764.db2.gz BBUHOCNPWRCAFS-TZIWHRDSSA-N 2 0 371.569 3.792 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001167822820 948093265 /nfs/dbraw/zinc/09/32/65/948093265.db2.gz ADUODCSIDINMEK-DOIPELPJSA-N 2 0 354.579 3.791 20 0 FHADRP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167824725 948112521 /nfs/dbraw/zinc/11/25/21/948112521.db2.gz FYNACJUCYUTTLM-ZWKOTPCHSA-N 2 0 355.567 3.828 20 0 FHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000549623532 948220077 /nfs/dbraw/zinc/22/00/77/948220077.db2.gz BJWGHVGUISYIRE-SFTDATJTSA-N 2 0 356.510 3.632 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833707 948232441 /nfs/dbraw/zinc/23/24/41/948232441.db2.gz DKSZSKFDQABXPD-ZWKOTPCHSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001167833783 948238227 /nfs/dbraw/zinc/23/82/27/948238227.db2.gz FDXNKPPQMWCBNO-MJGOQNOKSA-N 2 0 358.530 3.619 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001167834413 948253062 /nfs/dbraw/zinc/25/30/62/948253062.db2.gz JPBLAWQSMMVBNK-KRWDZBQOSA-N 2 0 363.521 3.530 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624322 948261263 /nfs/dbraw/zinc/26/12/63/948261263.db2.gz IBELXZBXYGTZET-QODFHFCMSA-N 2 0 364.533 3.925 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001167834739 948275244 /nfs/dbraw/zinc/27/52/44/948275244.db2.gz MPFNGHSCNPRZNW-QZTJIDSGSA-N 2 0 355.567 3.828 20 0 FHADRP CC(C)(C)OC(=O)CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168004163 948353289 /nfs/dbraw/zinc/35/32/89/948353289.db2.gz RLKZBNUEFIKVCB-YOFSQIOKSA-N 2 0 362.558 3.836 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001167841941 948370120 /nfs/dbraw/zinc/37/01/20/948370120.db2.gz VDEXIXOJIPCXNG-QGZVFWFLSA-N 2 0 353.501 3.593 20 0 FHADRP C[NH+]1CCC(O)(C[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000432420130 948380745 /nfs/dbraw/zinc/38/07/45/948380745.db2.gz IZOWALDQVXMTEU-UHFFFAOYSA-N 2 0 370.459 3.778 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000192516169 948406124 /nfs/dbraw/zinc/40/61/24/948406124.db2.gz KTFBNZFQQMYHHS-VGOFRKELSA-N 2 0 351.494 3.731 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372329 948424965 /nfs/dbraw/zinc/42/49/65/948424965.db2.gz MTSXIWLSHLGSGN-ZBFHGGJFSA-N 2 0 358.917 3.969 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+]CC3Cc4ccccc4C3)CC2)cc1 ZINC000579537662 948463262 /nfs/dbraw/zinc/46/32/62/948463262.db2.gz VHCHMEHTAVONNW-UHFFFAOYSA-N 2 0 364.533 3.912 20 0 FHADRP CCC(CC)(CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417706506 948551275 /nfs/dbraw/zinc/55/12/75/948551275.db2.gz PBUFYBIGZWGSJQ-QWFCFKBJSA-N 2 0 374.573 3.583 20 0 FHADRP CCC(CC)(CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000417706504 948551194 /nfs/dbraw/zinc/55/11/94/948551194.db2.gz PBUFYBIGZWGSJQ-GGPKGHCWSA-N 2 0 374.573 3.583 20 0 FHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000066990646 948576531 /nfs/dbraw/zinc/57/65/31/948576531.db2.gz ROAFOSKRWZWXKD-IRXDYDNUSA-N 2 0 359.539 3.789 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185026338 948724628 /nfs/dbraw/zinc/72/46/28/948724628.db2.gz KNYNFUWCGBHEFX-KRWDZBQOSA-N 2 0 371.529 3.552 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162774704 948766984 /nfs/dbraw/zinc/76/69/84/948766984.db2.gz HBUJYAITEOLOHJ-MRXNPFEDSA-N 2 0 357.498 3.863 20 0 FHADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000188584975 567972366 /nfs/dbraw/zinc/97/23/66/567972366.db2.gz IKHDOFVKPMNFBJ-IBGZPJMESA-N 2 0 374.573 3.544 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000521430131 568030505 /nfs/dbraw/zinc/03/05/05/568030505.db2.gz PTSLCAOPWGAITI-HXUWFJFHSA-N 2 0 373.585 3.868 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430156 568030509 /nfs/dbraw/zinc/03/05/09/568030509.db2.gz RJWCMJNRDFUFPN-GOSISDBHSA-N 2 0 351.579 3.610 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303238638 568261933 /nfs/dbraw/zinc/26/19/33/568261933.db2.gz HXQAFSDDONQOKR-ONTIZHBOSA-N 2 0 373.585 3.944 20 0 FHADRP CN1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1cccc(Cl)c1 ZINC000365226333 568338944 /nfs/dbraw/zinc/33/89/44/568338944.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 2 0 361.961 3.938 20 0 FHADRP C[C@H](CC[NH+]1CCC(OCC2CC2)CC1)[NH+]1CCC(OCC2CC2)CC1 ZINC000431600669 568375055 /nfs/dbraw/zinc/37/50/55/568375055.db2.gz BQIBZERLOXCUGT-GOSISDBHSA-N 2 0 364.574 3.547 20 0 FHADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736197999 599337751 /nfs/dbraw/zinc/33/77/51/599337751.db2.gz OXYWQUHDLDCVPE-ROUUACIJSA-N 2 0 368.529 3.516 20 0 FHADRP Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165026842 721808717 /nfs/dbraw/zinc/80/87/17/721808717.db2.gz RQZOYQCMMCIORR-SESVDKBCSA-N 2 0 350.510 3.830 20 0 FHADRP COc1cc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)ccc1O ZINC000126001180 936318283 /nfs/dbraw/zinc/31/82/83/936318283.db2.gz XOFZMFWQFKLREO-UHFFFAOYSA-N 2 0 370.493 3.507 20 0 FHADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237889952 936328628 /nfs/dbraw/zinc/32/86/28/936328628.db2.gz DUASHOXNIKROHT-FRIKZZABSA-N 2 0 369.553 3.600 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000092788849 936335308 /nfs/dbraw/zinc/33/53/08/936335308.db2.gz YPKNSYFSWDQPSY-LJQANCHMSA-N 2 0 370.566 3.665 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583005201 936365666 /nfs/dbraw/zinc/36/56/66/936365666.db2.gz ORZZVLPOKNWWMJ-FCLXEUQJSA-N 2 0 369.431 3.637 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162484742 937134860 /nfs/dbraw/zinc/13/48/60/937134860.db2.gz DYGYISAGTGTVCZ-KRWDZBQOSA-N 2 0 372.582 3.715 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCC3)cc1 ZINC000643542601 927304180 /nfs/dbraw/zinc/30/41/80/927304180.db2.gz FNDZZULBGYZETM-YSVLISHTSA-N 2 0 357.523 3.913 20 0 FHADRP NC1(C[NH2+][C@H]2CCCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000643544701 927382835 /nfs/dbraw/zinc/38/28/35/927382835.db2.gz AERUDSJJTIRYIU-QHCPKHFHSA-N 2 0 363.549 3.517 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510078212 927822955 /nfs/dbraw/zinc/82/29/55/927822955.db2.gz YIHRZOJGNAFPDL-VQTJNVASSA-N 2 0 359.558 3.570 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000579818925 928021136 /nfs/dbraw/zinc/02/11/36/928021136.db2.gz DUFIYBVTFAVOJI-QGZVFWFLSA-N 2 0 353.510 3.968 20 0 FHADRP [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000583184190 937218128 /nfs/dbraw/zinc/21/81/28/937218128.db2.gz IEKXSCWHVQHQAE-OAQYLSRUSA-N 2 0 357.542 3.586 20 0 FHADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000650679020 937234989 /nfs/dbraw/zinc/23/49/89/937234989.db2.gz BBMCPDOMBQJEBI-UHFFFAOYSA-N 2 0 366.490 3.775 20 0 FHADRP C[NH+](C)Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000024067436 928467829 /nfs/dbraw/zinc/46/78/29/928467829.db2.gz ITJFOHUMSSMCFU-UHFFFAOYSA-N 2 0 365.521 3.664 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000154304038 928710668 /nfs/dbraw/zinc/71/06/68/928710668.db2.gz JPJTUJGOUREFLJ-QGZVFWFLSA-N 2 0 372.582 3.797 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)o1 ZINC000655359844 928793616 /nfs/dbraw/zinc/79/36/16/928793616.db2.gz WCGJJYBKBMSVFO-UHFFFAOYSA-N 2 0 373.497 3.623 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154460192 928851436 /nfs/dbraw/zinc/85/14/36/928851436.db2.gz LNHOJWQHWFKTKG-MRXNPFEDSA-N 2 0 373.463 3.654 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000154495057 928861022 /nfs/dbraw/zinc/86/10/22/928861022.db2.gz UZKFYRZZBUDINL-QZTJIDSGSA-N 2 0 374.598 3.796 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000154514943 928887676 /nfs/dbraw/zinc/88/76/76/928887676.db2.gz GHIZFXLEMNAGFN-INIZCTEOSA-N 2 0 357.464 3.774 20 0 FHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000579868360 928914590 /nfs/dbraw/zinc/91/45/90/928914590.db2.gz JRKSIXRQZRMVFM-FGZHOGPDSA-N 2 0 372.553 3.987 20 0 FHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000579868359 928914953 /nfs/dbraw/zinc/91/49/53/928914953.db2.gz JRKSIXRQZRMVFM-FCHUYYIVSA-N 2 0 372.553 3.987 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442490 929165707 /nfs/dbraw/zinc/16/57/07/929165707.db2.gz RDHPSMOANRFAGR-UGKGYDQZSA-N 2 0 355.526 3.779 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440819 929511938 /nfs/dbraw/zinc/51/19/38/929511938.db2.gz VLXYEMYVKVIYPM-URXFXBBRSA-N 2 0 365.565 3.948 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180441016 929512423 /nfs/dbraw/zinc/51/24/23/929512423.db2.gz AJPAYVDKMOVQEG-PZJWPPBQSA-N 2 0 363.615 3.667 20 0 FHADRP C[C@@H]([NH2+]CCCCNc1ccccn1)c1cccc(N2CCOC2=O)c1 ZINC000162871510 937343264 /nfs/dbraw/zinc/34/32/64/937343264.db2.gz KJMURZPALDJTLO-MRXNPFEDSA-N 2 0 354.454 3.581 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000655861902 929633031 /nfs/dbraw/zinc/63/30/31/929633031.db2.gz UUYHHMBSAYHMFD-NRFANRHFSA-N 2 0 358.526 3.743 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cc2n(n1)CCCC2 ZINC000647286694 937359406 /nfs/dbraw/zinc/35/94/06/937359406.db2.gz MDIYCGCIVOCUFA-INIZCTEOSA-N 2 0 358.555 3.844 20 0 FHADRP Cc1ccc(C2CC([NH2+]Cc3ccncc3OCCC[NH+](C)C)C2)cc1 ZINC000583344945 937366433 /nfs/dbraw/zinc/36/64/33/937366433.db2.gz IWVLDNBLWIQFDZ-UHFFFAOYSA-N 2 0 353.510 3.756 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000162924378 937376126 /nfs/dbraw/zinc/37/61/26/937376126.db2.gz HJRFRNJPFWMBPK-GKVSMKOHSA-N 2 0 356.535 3.871 20 0 FHADRP Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc4cnccc4c3)CC2)c1 ZINC000683765447 930084289 /nfs/dbraw/zinc/08/42/89/930084289.db2.gz QNJAZFDCNUPRTH-UHFFFAOYSA-N 2 0 374.532 3.845 20 0 FHADRP C[C@H](CC[NH+]1CCC(OC2CCC2)CC1)[NH+]1CCC(OC2CCC2)CC1 ZINC000419293515 930093663 /nfs/dbraw/zinc/09/36/63/930093663.db2.gz ALMSTGCBPAUELV-GOSISDBHSA-N 2 0 364.574 3.832 20 0 FHADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000647288607 937390722 /nfs/dbraw/zinc/39/07/22/937390722.db2.gz IGYBRTIMTBSPBN-UWJYYQICSA-N 2 0 359.583 3.544 20 0 FHADRP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000647288604 937390799 /nfs/dbraw/zinc/39/07/99/937390799.db2.gz IGYBRTIMTBSPBN-DYESRHJHSA-N 2 0 359.583 3.544 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683833081 930355044 /nfs/dbraw/zinc/35/50/44/930355044.db2.gz SLAKOADPMYLKTQ-UHFFFAOYSA-N 2 0 355.526 3.805 20 0 FHADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)c1 ZINC000119042096 930575810 /nfs/dbraw/zinc/57/58/10/930575810.db2.gz HBWFKDJVBIFNQS-GOSISDBHSA-N 2 0 374.916 3.883 20 0 FHADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043490 930576169 /nfs/dbraw/zinc/57/61/69/930576169.db2.gz BKHIXIMATKIZBV-GOSISDBHSA-N 2 0 374.916 3.883 20 0 FHADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000119043320 930576275 /nfs/dbraw/zinc/57/62/75/930576275.db2.gz BKHIXIMATKIZBV-SFHVURJKSA-N 2 0 374.916 3.883 20 0 FHADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125181484 930584375 /nfs/dbraw/zinc/58/43/75/930584375.db2.gz DBGBEQNCBPBNDT-HMFYCAOWSA-N 2 0 362.521 3.903 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000683932273 930651484 /nfs/dbraw/zinc/65/14/84/930651484.db2.gz HAKDAJDVNZMAPS-OAQYLSRUSA-N 2 0 367.537 3.633 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000047978576 930967660 /nfs/dbraw/zinc/96/76/60/930967660.db2.gz VKGSPCNDGGWDJX-QFIPXVFZSA-N 2 0 371.569 3.576 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000047978732 930975171 /nfs/dbraw/zinc/97/51/71/930975171.db2.gz AZPKEHHUROQHKZ-UHFFFAOYSA-N 2 0 351.922 3.722 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000580696626 931024153 /nfs/dbraw/zinc/02/41/53/931024153.db2.gz NYSWLFJPBCVEHE-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n2)c1 ZINC000580827827 931235428 /nfs/dbraw/zinc/23/54/28/931235428.db2.gz RNQKTBXTQLLWFL-KZNAEPCWSA-N 2 0 374.916 3.833 20 0 FHADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)n2)c1 ZINC000580827829 931235659 /nfs/dbraw/zinc/23/56/59/931235659.db2.gz RNQKTBXTQLLWFL-RCCFBDPRSA-N 2 0 374.916 3.833 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000580856429 931268358 /nfs/dbraw/zinc/26/83/58/931268358.db2.gz LQHMZAJILIIKOY-LJQANCHMSA-N 2 0 359.901 3.843 20 0 FHADRP CCCOc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000123319448 931373053 /nfs/dbraw/zinc/37/30/53/931373053.db2.gz IZUAHFZHXJVESH-CQSZACIVSA-N 2 0 356.457 3.897 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC[C@H]2CCOC2)cc1 ZINC000656405639 931602295 /nfs/dbraw/zinc/60/22/95/931602295.db2.gz JZLCAIPOVXODAE-JFCAZQBUSA-N 2 0 354.538 3.646 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCOc3ccccc3)C2)cc1 ZINC000656406678 931603425 /nfs/dbraw/zinc/60/34/25/931603425.db2.gz VXAODDJTKGHXQT-BIHRQFPBSA-N 2 0 362.517 3.908 20 0 FHADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)c1 ZINC000581207097 931674034 /nfs/dbraw/zinc/67/40/34/931674034.db2.gz YNOFYAACSRBXRM-HBMCJLEFSA-N 2 0 367.493 3.845 20 0 FHADRP COCCNc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155307 931709545 /nfs/dbraw/zinc/70/95/45/931709545.db2.gz RRYNRDDFCYMGHF-UGKGYDQZSA-N 2 0 367.537 3.745 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156333 931729552 /nfs/dbraw/zinc/72/95/52/931729552.db2.gz IOFONQSDDWWNLY-NFBKMPQASA-N 2 0 374.532 3.915 20 0 FHADRP c1ccc([C@H](CN2CCCCC2)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000656496384 931886585 /nfs/dbraw/zinc/88/65/85/931886585.db2.gz DRBMLFGVUVAZAM-QHCPKHFHSA-N 2 0 364.537 3.867 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430569250 931905930 /nfs/dbraw/zinc/90/59/30/931905930.db2.gz HFTASEGPTCIBKM-QZTJIDSGSA-N 2 0 367.493 3.867 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576135 931934336 /nfs/dbraw/zinc/93/43/36/931934336.db2.gz RQZVGGMOPUNIAJ-CUWPLCDZSA-N 2 0 371.569 3.707 20 0 FHADRP C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163158 931974393 /nfs/dbraw/zinc/97/43/93/931974393.db2.gz YTSGAYONLOXJHK-FBBABVLZSA-N 2 0 357.567 3.851 20 0 FHADRP c1cncc(COc2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000656782016 932410874 /nfs/dbraw/zinc/41/08/74/932410874.db2.gz CPJIDOFKXZZOHP-QFIPXVFZSA-N 2 0 365.521 3.872 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781929 932411024 /nfs/dbraw/zinc/41/10/24/932411024.db2.gz AAMUIDRLGZJHLC-NRFANRHFSA-N 2 0 365.521 3.872 20 0 FHADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1OC(F)F ZINC000656786225 932418462 /nfs/dbraw/zinc/41/84/62/932418462.db2.gz QBHPVDLMUZCBAX-OAHLLOKOSA-N 2 0 354.441 3.508 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)nc1 ZINC000656784534 932418958 /nfs/dbraw/zinc/41/89/58/932418958.db2.gz DSMNMVLHZAICHY-NRFANRHFSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000656785520 932420799 /nfs/dbraw/zinc/42/07/99/932420799.db2.gz LJQMRJFSOIVXOY-HNNXBMFYSA-N 2 0 354.441 3.508 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000656786964 932425809 /nfs/dbraw/zinc/42/58/09/932425809.db2.gz YIJCZXNTPLLFNS-MRXNPFEDSA-N 2 0 367.331 3.669 20 0 FHADRP c1ccc(COc2cccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c2)nc1 ZINC000656785963 932425820 /nfs/dbraw/zinc/42/58/20/932425820.db2.gz OLWCRKRADNXARE-OAQYLSRUSA-N 2 0 365.521 3.872 20 0 FHADRP c1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc(OCc3ccncc3)cc2)cc1 ZINC000656788880 932426550 /nfs/dbraw/zinc/42/65/50/932426550.db2.gz IFJSJGNYGZLPSP-DNQXCXABSA-N 2 0 373.500 3.896 20 0 FHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689566 932507208 /nfs/dbraw/zinc/50/72/08/932507208.db2.gz XMKORRXDFPTDBN-KBPBESRZSA-N 2 0 357.311 3.839 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000581734027 932572847 /nfs/dbraw/zinc/57/28/47/932572847.db2.gz XCRUDJFZFNJHTN-AZUAARDMSA-N 2 0 355.526 3.529 20 0 FHADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000471806569 932985399 /nfs/dbraw/zinc/98/53/99/932985399.db2.gz ZKNPXZHHZRLGNV-OAQYLSRUSA-N 2 0 359.558 3.654 20 0 FHADRP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117611 933010839 /nfs/dbraw/zinc/01/08/39/933010839.db2.gz GLIOOYSTDOJXMS-KURKYZTESA-N 2 0 353.551 3.629 20 0 FHADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829934 933072526 /nfs/dbraw/zinc/07/25/26/933072526.db2.gz GVBXGGMBGORFHQ-ZWKOTPCHSA-N 2 0 358.448 3.628 20 0 FHADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854958 933155217 /nfs/dbraw/zinc/15/52/17/933155217.db2.gz CPJUATWKYYOETQ-GGAORHGYSA-N 2 0 365.521 3.817 20 0 FHADRP COc1cccc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000430711499 933165720 /nfs/dbraw/zinc/16/57/20/933165720.db2.gz WYQOFQYHQIOUBM-QRVBRYPASA-N 2 0 360.542 3.968 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)s1 ZINC000426295080 933172666 /nfs/dbraw/zinc/17/26/66/933172666.db2.gz MCLBSUWAOFWONL-RDJZCZTQSA-N 2 0 350.576 3.837 20 0 FHADRP Cn1nccc1[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000510646639 933344856 /nfs/dbraw/zinc/34/48/56/933344856.db2.gz RDHCEZRXKIGMQY-HXUWFJFHSA-N 2 0 354.542 3.758 20 0 FHADRP C[C@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430918465 933405527 /nfs/dbraw/zinc/40/55/27/933405527.db2.gz NAEOYLBCTLLWBU-HXUWFJFHSA-N 2 0 357.586 3.918 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430913409 933409693 /nfs/dbraw/zinc/40/96/93/933409693.db2.gz UVSNOUUVDZCMTG-FCHUYYIVSA-N 2 0 371.569 3.655 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000430927407 933415268 /nfs/dbraw/zinc/41/52/68/933415268.db2.gz QIWOFCSNGWHBQH-UHFFFAOYSA-N 2 0 364.287 3.536 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927136 933424732 /nfs/dbraw/zinc/42/47/32/933424732.db2.gz PQVACYAFOMTBIN-UWJYYQICSA-N 2 0 371.569 3.707 20 0 FHADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430936400 933440274 /nfs/dbraw/zinc/44/02/74/933440274.db2.gz UVXSHBJRJORIFC-UHFFFAOYSA-N 2 0 351.494 3.614 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000510701345 933458282 /nfs/dbraw/zinc/45/82/82/933458282.db2.gz HNSUVANSSMKIKL-IPHXSNPTSA-N 2 0 366.496 3.643 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430956418 933485525 /nfs/dbraw/zinc/48/55/25/933485525.db2.gz OKOKJAVLEHIOFQ-IRXDYDNUSA-N 2 0 367.493 3.865 20 0 FHADRP Cc1cccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510712783 933488991 /nfs/dbraw/zinc/48/89/91/933488991.db2.gz IQDFPDSYNVODNU-XXBNENTESA-N 2 0 369.528 3.697 20 0 FHADRP COC(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000548423733 933610153 /nfs/dbraw/zinc/61/01/53/933610153.db2.gz MMGKWRGSVNJFBU-UHFFFAOYSA-N 2 0 362.489 3.700 20 0 FHADRP Cc1cccc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2cccc(F)c2)c1 ZINC000510756995 933647262 /nfs/dbraw/zinc/64/72/62/933647262.db2.gz XQXNHYSFQQBCEO-QHCPKHFHSA-N 2 0 369.528 3.839 20 0 FHADRP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431043643 933740977 /nfs/dbraw/zinc/74/09/77/933740977.db2.gz RVLHBIXGJWUSAU-UHFFFAOYSA-N 2 0 357.542 3.947 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)cc1 ZINC000510797223 933754001 /nfs/dbraw/zinc/75/40/01/933754001.db2.gz LSYMIKFNCYGGJG-OALUTQOASA-N 2 0 359.558 3.769 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)cc1 ZINC000510797220 933754199 /nfs/dbraw/zinc/75/41/99/933754199.db2.gz LSYMIKFNCYGGJG-MOPGFXCFSA-N 2 0 359.558 3.769 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)cc1 ZINC000510797226 933754490 /nfs/dbraw/zinc/75/44/90/933754490.db2.gz LSYMIKFNCYGGJG-RTBURBONSA-N 2 0 359.558 3.769 20 0 FHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000510889391 933972763 /nfs/dbraw/zinc/97/27/63/933972763.db2.gz WQNQCOQDUGDWCB-IRXDYDNUSA-N 2 0 371.500 3.565 20 0 FHADRP CC(C)c1ncc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587053 934099067 /nfs/dbraw/zinc/09/90/67/934099067.db2.gz VBMUVPWYXFKNDR-HOTGVXAUSA-N 2 0 351.560 3.588 20 0 FHADRP COC(=O)c1coc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535676765 934256964 /nfs/dbraw/zinc/25/69/64/934256964.db2.gz SZDKOMQFRLGKNF-UHFFFAOYSA-N 2 0 368.477 3.554 20 0 FHADRP Cc1ccc([C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000458157467 934337575 /nfs/dbraw/zinc/33/75/75/934337575.db2.gz VBPRXGTYDKTEID-FQEVSTJZSA-N 2 0 374.573 3.552 20 0 FHADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799771 934426139 /nfs/dbraw/zinc/42/61/39/934426139.db2.gz QCTKCWSUHCNFKE-XJKSGUPXSA-N 2 0 372.294 3.674 20 0 FHADRP CC1CC[NH+](Cc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000236723389 934767949 /nfs/dbraw/zinc/76/79/49/934767949.db2.gz PKDXBXZDADIFCQ-VCSGRIEYSA-N 2 0 355.526 3.778 20 0 FHADRP O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000511028242 934960465 /nfs/dbraw/zinc/96/04/65/934960465.db2.gz GRWPDMJSTMEARH-FQEVSTJZSA-N 2 0 370.541 3.680 20 0 FHADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472109957 935053339 /nfs/dbraw/zinc/05/33/39/935053339.db2.gz FXADVXDDOAXTDH-FPOVZHCZSA-N 2 0 374.573 3.585 20 0 FHADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCc1ccccc1 ZINC000415006076 945076693 /nfs/dbraw/zinc/07/66/93/945076693.db2.gz PTJPBBUOZSBCDB-UYAOXDASSA-N 2 0 354.494 3.881 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000657315327 935154399 /nfs/dbraw/zinc/15/43/99/935154399.db2.gz QROAZHQBHSJWEK-UHFFFAOYSA-N 2 0 354.420 3.571 20 0 FHADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824967 945080757 /nfs/dbraw/zinc/08/07/57/945080757.db2.gz ACDIUJXCTIGTPI-UZUQRXQVSA-N 2 0 366.505 3.780 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000157915377 935228679 /nfs/dbraw/zinc/22/86/79/935228679.db2.gz LSLUDFYCEDGEBU-MSOLQXFVSA-N 2 0 359.514 3.806 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000157948934 935234763 /nfs/dbraw/zinc/23/47/63/935234763.db2.gz DXRTZXGLGRWHBT-MVBMGLOESA-N 2 0 369.553 3.921 20 0 FHADRP [NH3+][C@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000414958006 945087039 /nfs/dbraw/zinc/08/70/39/945087039.db2.gz CNMIQPDHBZTWFM-OAQYLSRUSA-N 2 0 366.509 3.537 20 0 FHADRP Clc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000657332933 935247583 /nfs/dbraw/zinc/24/75/83/935247583.db2.gz RRNXQZHAXWECBP-INIZCTEOSA-N 2 0 367.884 3.537 20 0 FHADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554329 935389645 /nfs/dbraw/zinc/38/96/45/935389645.db2.gz NVBZDUAEWFQHSM-DHIUTWEWSA-N 2 0 356.554 3.916 20 0 FHADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)cc1 ZINC000582236550 935423304 /nfs/dbraw/zinc/42/33/04/935423304.db2.gz AWTMTADWPXCNHY-DEOSSOPVSA-N 2 0 362.517 3.637 20 0 FHADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399446 935562328 /nfs/dbraw/zinc/56/23/28/935562328.db2.gz JBBFYAPMDBXRTA-UXHICEINSA-N 2 0 356.535 3.883 20 0 FHADRP CCC1(C[NH2+]Cc2cc3n(n2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000657415256 935628537 /nfs/dbraw/zinc/62/85/37/935628537.db2.gz CESOHHOCNOZDTR-UHFFFAOYSA-N 2 0 352.526 3.611 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963993 945113273 /nfs/dbraw/zinc/11/32/73/945113273.db2.gz WCLNZGOHDFSLPG-SVFBPWRDSA-N 2 0 361.574 3.506 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000657431342 935715416 /nfs/dbraw/zinc/71/54/16/935715416.db2.gz ZWKMHSZZRSROPC-NSHGMRRFSA-N 2 0 360.542 3.843 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1)C1CC1 ZINC000511132754 935753150 /nfs/dbraw/zinc/75/31/50/935753150.db2.gz UMLWNHGLBPPHNQ-UHFFFAOYSA-N 2 0 365.521 3.663 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161291354 935777498 /nfs/dbraw/zinc/77/74/98/935777498.db2.gz ISZUBXITYDICMA-GOSISDBHSA-N 2 0 358.526 3.694 20 0 FHADRP CCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000261784354 935805267 /nfs/dbraw/zinc/80/52/67/935805267.db2.gz SJOWMKNQQTVGJX-UHFFFAOYSA-N 2 0 358.313 3.786 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2ccncc2C)CC1 ZINC000582603457 935865111 /nfs/dbraw/zinc/86/51/11/935865111.db2.gz GGIHJPKGQYLHPI-GOSISDBHSA-N 2 0 370.516 3.564 20 0 FHADRP CCOc1ccc(C[C@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657487611 935865497 /nfs/dbraw/zinc/86/54/97/935865497.db2.gz LJPUABUKQSRYFM-KRWDZBQOSA-N 2 0 350.466 3.634 20 0 FHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)C[C@H](C)O1 ZINC000582646451 935905259 /nfs/dbraw/zinc/90/52/59/935905259.db2.gz GUHKQDGZXBSNSA-IRXDYDNUSA-N 2 0 365.477 3.727 20 0 FHADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1C(F)(F)F ZINC000657535139 935972021 /nfs/dbraw/zinc/97/20/21/935972021.db2.gz GHYBTKSGAZRVKW-UHFFFAOYSA-N 2 0 374.422 3.825 20 0 FHADRP CCc1cccc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)oc21 ZINC000657537853 935979439 /nfs/dbraw/zinc/97/94/39/935979439.db2.gz UYJBPXJFIYLOND-UHFFFAOYSA-N 2 0 356.510 3.976 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237472300 936068860 /nfs/dbraw/zinc/06/88/60/936068860.db2.gz YIEIFSMVFXYPCH-MOPGFXCFSA-N 2 0 371.569 3.561 20 0 FHADRP CC(C)COc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596541 936072604 /nfs/dbraw/zinc/07/26/04/936072604.db2.gz NYROQFWLQUIFKS-QFIPXVFZSA-N 2 0 368.521 3.578 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597228 936072893 /nfs/dbraw/zinc/07/28/93/936072893.db2.gz RBEFFKREFSPOPK-VQTJNVASSA-N 2 0 370.924 3.554 20 0 FHADRP CCCCOc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596622 936080071 /nfs/dbraw/zinc/08/00/71/936080071.db2.gz PAGSIURZOBIICB-QFIPXVFZSA-N 2 0 368.521 3.722 20 0 FHADRP FC(F)Oc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657611634 936092946 /nfs/dbraw/zinc/09/29/46/936092946.db2.gz AILJFTFIBCDWHS-UHFFFAOYSA-N 2 0 361.436 3.685 20 0 FHADRP CSC1(C[NH2+][C@@H](C)c2cc(Br)cs2)CC[NH+](C)CC1 ZINC000582815232 936161687 /nfs/dbraw/zinc/16/16/87/936161687.db2.gz INGBEGZILHLBKF-NSHDSACASA-N 2 0 363.390 3.989 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000262671042 936211085 /nfs/dbraw/zinc/21/10/85/936211085.db2.gz NWDOZORSBXOUPD-KNKQGSTJSA-N 2 0 371.569 3.703 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414962935 945156501 /nfs/dbraw/zinc/15/65/01/945156501.db2.gz TVNPUNPKNAJYSC-HNAYVOBHSA-N 2 0 358.457 3.501 20 0 FHADRP COc1ccc2cc([C@@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)ccc2c1 ZINC000150998134 938259441 /nfs/dbraw/zinc/25/94/41/938259441.db2.gz QIECVYVWINBDSY-QGZVFWFLSA-N 2 0 355.526 3.525 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000583472445 938269250 /nfs/dbraw/zinc/26/92/50/938269250.db2.gz IRXZFFLOSQLRSE-VXKWHMMOSA-N 2 0 371.569 3.608 20 0 FHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705326 938282816 /nfs/dbraw/zinc/28/28/16/938282816.db2.gz DLZLWELYHIFQMA-SPEDKVCISA-N 2 0 354.494 3.567 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)C1 ZINC000650705982 938284733 /nfs/dbraw/zinc/28/47/33/938284733.db2.gz BKESZVPBYVNSMC-WOIUINJBSA-N 2 0 358.526 3.726 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)C1 ZINC000650706166 938285192 /nfs/dbraw/zinc/28/51/92/938285192.db2.gz FNWHBSUUBGLSDM-XGWLTEMNSA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)C1 ZINC000650706832 938288365 /nfs/dbraw/zinc/28/83/65/938288365.db2.gz TYRRFWVRRUSKLC-YSVLISHTSA-N 2 0 363.552 3.590 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(Cl)c1 ZINC000650717894 938304833 /nfs/dbraw/zinc/30/48/33/938304833.db2.gz QCWQDCMYHJFTNO-CYBMUJFWSA-N 2 0 363.864 3.753 20 0 FHADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000583567389 938305489 /nfs/dbraw/zinc/30/54/89/938305489.db2.gz VGBRHICUTIUSGR-GOSISDBHSA-N 2 0 365.521 3.933 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3F)o2)C1 ZINC000650722292 938309602 /nfs/dbraw/zinc/30/96/02/938309602.db2.gz OSYWSZULCVSJIM-MFMILTCTSA-N 2 0 358.457 3.947 20 0 FHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)s2)cc1 ZINC000650723508 938310766 /nfs/dbraw/zinc/31/07/66/938310766.db2.gz PKYMAFWAPGPWPN-RLLQIKCJSA-N 2 0 371.550 3.979 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000728572175 938332240 /nfs/dbraw/zinc/33/22/40/938332240.db2.gz UDLPJIXBIPJNEK-SFHVURJKSA-N 2 0 369.347 3.535 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583660559 938345002 /nfs/dbraw/zinc/34/50/02/938345002.db2.gz CEIZVNBUFGYQQN-WIYYLYMNSA-N 3 0 369.528 3.888 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000583693148 938360667 /nfs/dbraw/zinc/36/06/67/938360667.db2.gz AAXXFTHTMYUHIT-WMQCIHAUSA-N 2 0 372.944 3.761 20 0 FHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000650743730 938368325 /nfs/dbraw/zinc/36/83/25/938368325.db2.gz ZKQYMBFLVKLFBD-SNVBAGLBSA-N 2 0 350.356 3.669 20 0 FHADRP COCCC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000650745746 938372309 /nfs/dbraw/zinc/37/23/09/938372309.db2.gz MYIURFFICNXKDZ-MRXNPFEDSA-N 2 0 355.320 3.635 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000583759692 938394208 /nfs/dbraw/zinc/39/42/08/938394208.db2.gz VDWPFEZLMLIFLL-QRVBRYPASA-N 2 0 355.530 3.676 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)c(F)c1 ZINC000650755277 938413856 /nfs/dbraw/zinc/41/38/56/938413856.db2.gz AZBHTESDLHHUHH-CYBMUJFWSA-N 2 0 355.276 3.886 20 0 FHADRP CS[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000536131291 938418388 /nfs/dbraw/zinc/41/83/88/938418388.db2.gz ARNVYOXKSRKEBL-HOTGVXAUSA-N 2 0 367.990 3.856 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(F)(F)F ZINC000583828235 938433907 /nfs/dbraw/zinc/43/39/07/938433907.db2.gz RPRIJSPHAPURAL-ARFHVFGLSA-N 2 0 372.431 3.599 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ncc(Br)cc1F ZINC000278449289 938437510 /nfs/dbraw/zinc/43/75/10/938437510.db2.gz LHBYOYUODXUQOC-LLVKDONJSA-N 2 0 356.283 3.508 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)[C@H](C)C1 ZINC000650761129 938440226 /nfs/dbraw/zinc/44/02/26/938440226.db2.gz SOJBHNHELHZYJT-NRSPTQNISA-N 2 0 359.558 3.530 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762896 938447801 /nfs/dbraw/zinc/44/78/01/938447801.db2.gz NDBOYWRVRAKIQW-MRXNPFEDSA-N 2 0 353.304 3.642 20 0 FHADRP CC(C)Oc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506007404 945176669 /nfs/dbraw/zinc/17/66/69/945176669.db2.gz LVRBWWSCUNHERK-UHFFFAOYSA-N 2 0 360.542 3.798 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000660538278 945179588 /nfs/dbraw/zinc/17/95/88/945179588.db2.gz NSGKJOWLLBLZDS-SQNIBIBYSA-N 2 0 358.448 3.632 20 0 FHADRP CC[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1F ZINC000583958653 938504679 /nfs/dbraw/zinc/50/46/79/938504679.db2.gz WDSHVUHLZRFETB-IBGZPJMESA-N 2 0 363.452 3.931 20 0 FHADRP Clc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc2c1OCCCO2 ZINC000657812110 938514920 /nfs/dbraw/zinc/51/49/20/938514920.db2.gz LKDCFHCRQSJEIH-UHFFFAOYSA-N 2 0 364.917 3.713 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000583985617 938519255 /nfs/dbraw/zinc/51/92/55/938519255.db2.gz ILXGKWQRDBTMEK-HKBOAZHASA-N 2 0 351.494 3.623 20 0 FHADRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCc1cccs1 ZINC000583994631 938523972 /nfs/dbraw/zinc/52/39/72/938523972.db2.gz JCCKLEOYVSUHLZ-HDICACEKSA-N 2 0 372.534 3.767 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133039519 938556114 /nfs/dbraw/zinc/55/61/14/938556114.db2.gz KPWPEIMXWYNVCD-GJZGRUSLSA-N 2 0 356.432 3.857 20 0 FHADRP c1ccc(N2CCC([NH2+]CC[C@@H]3CSc4ccccc4O3)CC2)nc1 ZINC000647321112 938580659 /nfs/dbraw/zinc/58/06/59/938580659.db2.gz XWIWGMYZWZNTJG-QGZVFWFLSA-N 2 0 355.507 3.583 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CC(CF)(CF)C3)CC2)c1 ZINC000657828128 938602338 /nfs/dbraw/zinc/60/23/38/938602338.db2.gz KIWOBWMGWOQWBM-UHFFFAOYSA-N 2 0 365.512 3.575 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302095 938677513 /nfs/dbraw/zinc/67/75/13/938677513.db2.gz RYOZKHSTTYNDMM-QXCFHYIPSA-N 2 0 369.475 3.948 20 0 FHADRP CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000708503650 938692449 /nfs/dbraw/zinc/69/24/49/938692449.db2.gz KAHQNOBANSBBMF-GHTZIAJQSA-N 2 0 368.521 3.952 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(C)c1OC ZINC000584366645 938711856 /nfs/dbraw/zinc/71/18/56/938711856.db2.gz CWHVKYRAQXHFHN-QGZVFWFLSA-N 2 0 372.509 3.803 20 0 FHADRP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000415008256 945200119 /nfs/dbraw/zinc/20/01/19/945200119.db2.gz SCHHRABMXHPFSN-AZUAARDMSA-N 2 0 372.484 3.634 20 0 FHADRP CC(C)c1nccn1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000081444140 938788877 /nfs/dbraw/zinc/78/88/77/938788877.db2.gz NBUPYZIHOHAFCY-IBGZPJMESA-N 2 0 368.525 3.520 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000708530087 938802557 /nfs/dbraw/zinc/80/25/57/938802557.db2.gz WLWOEVXNYJJASM-NRSPTQNISA-N 2 0 350.506 3.910 20 0 FHADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C(C)C)cc1 ZINC000090522764 938880024 /nfs/dbraw/zinc/88/00/24/938880024.db2.gz GJSJPCQKYJZING-VABKMULXSA-N 2 0 358.570 3.920 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000090708789 938882030 /nfs/dbraw/zinc/88/20/30/938882030.db2.gz WXCIMJSATJOPJU-QZUYBOIVSA-N 2 0 370.562 3.985 20 0 FHADRP CC(C)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091320530 938900307 /nfs/dbraw/zinc/90/03/07/938900307.db2.gz XUQHLQSRGNSUGF-QFBILLFUSA-N 2 0 371.491 3.876 20 0 FHADRP CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414900912 945213939 /nfs/dbraw/zinc/21/39/39/945213939.db2.gz FLSLNVZOFMDSNW-FUHWJXTLSA-N 2 0 369.513 3.694 20 0 FHADRP CC(C)c1ncc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000093844202 938930792 /nfs/dbraw/zinc/93/07/92/938930792.db2.gz YKBKFBFRVQLZCJ-CALCHBBNSA-N 2 0 365.587 3.978 20 0 FHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@@H](C)O1 ZINC000093844447 938930947 /nfs/dbraw/zinc/93/09/47/938930947.db2.gz KWZRAZLQCRDFCN-HZPDHXFCSA-N 2 0 363.571 3.732 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cc2cnccc2o1 ZINC000657873980 938964149 /nfs/dbraw/zinc/96/41/49/938964149.db2.gz XEIRDRXCCMIWMT-MRXNPFEDSA-N 2 0 353.466 3.662 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000657877757 938965772 /nfs/dbraw/zinc/96/57/72/938965772.db2.gz DFOKBYHQOMGHIA-AVAPBHFXSA-N 2 0 372.553 3.603 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000431562301 938970484 /nfs/dbraw/zinc/97/04/84/938970484.db2.gz BROGSSXYHFWCSL-RTBURBONSA-N 2 0 371.550 3.694 20 0 FHADRP CCOC1CCC([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000657887885 938981891 /nfs/dbraw/zinc/98/18/91/938981891.db2.gz KLUVKSMTQXNOEN-PELRDEGISA-N 2 0 360.542 3.824 20 0 FHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)CC1 ZINC000685462836 938988673 /nfs/dbraw/zinc/98/86/73/938988673.db2.gz OYNRGXWGGLACPY-IBGZPJMESA-N 2 0 372.944 3.749 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000685630726 939006418 /nfs/dbraw/zinc/00/64/18/939006418.db2.gz PREWPXPWTUJPIJ-QFIPXVFZSA-N 2 0 374.488 3.760 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1O ZINC000685646317 939008115 /nfs/dbraw/zinc/00/81/15/939008115.db2.gz MTXCOXNCUOPFOI-PKOBYXMFSA-N 2 0 354.494 3.964 20 0 FHADRP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066751 939021484 /nfs/dbraw/zinc/02/14/84/939021484.db2.gz DOZGWCAHAKKXRT-OAQYLSRUSA-N 2 0 370.537 3.914 20 0 FHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067937 939021548 /nfs/dbraw/zinc/02/15/48/939021548.db2.gz SJXVOPKUQMBXFK-ZWKOTPCHSA-N 2 0 360.542 3.668 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)C1 ZINC000658136710 939030428 /nfs/dbraw/zinc/03/04/28/939030428.db2.gz IZDSGVZXEYZOCG-WQMHRJNTSA-N 2 0 372.553 3.613 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658141863 939034836 /nfs/dbraw/zinc/03/48/36/939034836.db2.gz XDNUBMYIIXJVSE-JTHBVZDNSA-N 2 0 350.506 3.729 20 0 FHADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140200 939034898 /nfs/dbraw/zinc/03/48/98/939034898.db2.gz UHBZCJHLRFMARM-FGZHOGPDSA-N 2 0 350.506 3.647 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138053 939040367 /nfs/dbraw/zinc/04/03/67/939040367.db2.gz MJIFFCCTMWSULA-DZWOVHDNSA-N 2 0 350.506 3.535 20 0 FHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658139511 939043066 /nfs/dbraw/zinc/04/30/66/939043066.db2.gz MHYLCLICLZYMRX-OXQOHEQNSA-N 2 0 356.535 3.826 20 0 FHADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000658168001 939054527 /nfs/dbraw/zinc/05/45/27/939054527.db2.gz UYNHEUOIJDTNJJ-OAQYLSRUSA-N 2 0 355.913 3.704 20 0 FHADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000658166355 939054545 /nfs/dbraw/zinc/05/45/45/939054545.db2.gz NZNFLWMLZILOEL-NRFANRHFSA-N 2 0 373.928 3.924 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cnn(C2CCCC2)c1 ZINC000658167528 939054841 /nfs/dbraw/zinc/05/48/41/939054841.db2.gz SNQFJPOJSQZCEW-SFHVURJKSA-N 2 0 367.541 3.956 20 0 FHADRP Cc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000658167208 939054861 /nfs/dbraw/zinc/05/48/61/939054861.db2.gz QRLYFZCMNGHQHN-GOSISDBHSA-N 2 0 356.539 3.726 20 0 FHADRP COc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167221 939055123 /nfs/dbraw/zinc/05/51/23/939055123.db2.gz QTNHNIFLZBOQAZ-GOSISDBHSA-N 2 0 353.510 3.523 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCCCC1 ZINC000658303603 939095393 /nfs/dbraw/zinc/09/53/93/939095393.db2.gz BZBAAOXYKLLLJI-CTNGQTDRSA-N 2 0 371.569 3.573 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@@H]21 ZINC000658317451 939110088 /nfs/dbraw/zinc/11/00/88/939110088.db2.gz LCLVVIXZVOHAET-LUKWVAJMSA-N 2 0 367.581 3.751 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000658352367 939123708 /nfs/dbraw/zinc/12/37/08/939123708.db2.gz FQHNTIDUIGFEHK-KRWDZBQOSA-N 2 0 352.526 3.860 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cn1 ZINC000658352331 939123717 /nfs/dbraw/zinc/12/37/17/939123717.db2.gz DURVKWFCHXZQRD-CYBMUJFWSA-N 2 0 352.320 3.617 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)c1OC ZINC000658353365 939124393 /nfs/dbraw/zinc/12/43/93/939124393.db2.gz MGRJXHGTROBJLN-MRXNPFEDSA-N 2 0 360.542 3.655 20 0 FHADRP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507472099 945257915 /nfs/dbraw/zinc/25/79/15/945257915.db2.gz QHTAFLSTIOHJJF-YESZJQIVSA-N 2 0 358.473 3.782 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000427317065 945267532 /nfs/dbraw/zinc/26/75/32/945267532.db2.gz UAIRWYKULWAVNY-QFBILLFUSA-N 2 0 365.949 3.619 20 0 FHADRP CCCCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)n1 ZINC000507497018 945268705 /nfs/dbraw/zinc/26/87/05/945268705.db2.gz QKJYPFNPMHYXGN-ACIOBRDBSA-N 2 0 366.553 3.992 20 0 FHADRP C[NH+](C)CCC1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179550962 939887654 /nfs/dbraw/zinc/88/76/54/939887654.db2.gz HGAPNLFKYUCQAE-UHFFFAOYSA-N 2 0 367.578 3.687 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000507503541 945285911 /nfs/dbraw/zinc/28/59/11/945285911.db2.gz AFYSRLXOEQZOPW-SIKLNZKXSA-N 2 0 366.553 3.673 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472853 939997856 /nfs/dbraw/zinc/99/78/56/939997856.db2.gz HZSGCJRZLNFLPR-UNMCSNQZSA-N 2 0 367.493 3.592 20 0 FHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507508674 945289810 /nfs/dbraw/zinc/28/98/10/945289810.db2.gz KAAUVLCYSPJWHO-YADHBBJMSA-N 2 0 369.553 3.571 20 0 FHADRP CC(C)(C)OC(=O)N1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000177269289 940066244 /nfs/dbraw/zinc/06/62/44/940066244.db2.gz SJPARJHYXXQDHM-UHFFFAOYSA-N 2 0 365.562 3.630 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000570076767 940128231 /nfs/dbraw/zinc/12/82/31/940128231.db2.gz HVXSQEKHZLGBKD-ZHHKINOHSA-N 2 0 360.542 3.633 20 0 FHADRP C[NH+](C)C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507526215 945302685 /nfs/dbraw/zinc/30/26/85/945302685.db2.gz LKWNBYIRLRAFQE-YCAMKHIRSA-N 2 0 363.549 3.790 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548973774 940390502 /nfs/dbraw/zinc/39/05/02/940390502.db2.gz HBHVXLHPZJOQDF-LJQANCHMSA-N 2 0 357.542 3.524 20 0 FHADRP CCc1nc([C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccccc1 ZINC000376177676 940424102 /nfs/dbraw/zinc/42/41/02/940424102.db2.gz JZEDFKUJUDFGBJ-SFHVURJKSA-N 2 0 370.541 3.534 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000685847741 940454330 /nfs/dbraw/zinc/45/43/30/940454330.db2.gz DBICCCZYAXEMRE-ICSRJNTNSA-N 2 0 363.590 3.539 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1Cn1cccn1 ZINC000177836757 940459702 /nfs/dbraw/zinc/45/97/02/940459702.db2.gz VEJFDAZVJYHDHX-GOSISDBHSA-N 2 0 370.541 3.711 20 0 FHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000414069973 940476442 /nfs/dbraw/zinc/47/64/42/940476442.db2.gz AIGRLZNXZQSDJE-RTWAWAEBSA-N 2 0 374.569 3.715 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082920 940486520 /nfs/dbraw/zinc/48/65/20/940486520.db2.gz FYVPQQPZKKLUDT-WMZOPIPTSA-N 2 0 359.539 3.698 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414108446 940510783 /nfs/dbraw/zinc/51/07/83/940510783.db2.gz LSEKQLSUEGDSEO-UEXGIBASSA-N 2 0 353.510 3.521 20 0 FHADRP COc1cccc(C[NH+](C)C/C=C\C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000613355126 940620454 /nfs/dbraw/zinc/62/04/54/940620454.db2.gz QMSNNSRMXJVQCQ-WAYWQWQTSA-N 2 0 354.494 3.824 20 0 FHADRP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174155738 940705703 /nfs/dbraw/zinc/70/57/03/940705703.db2.gz ZHAXFKIAPBGHDA-QGZVFWFLSA-N 2 0 371.525 3.695 20 0 FHADRP COc1cccc2c1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000414177448 940716445 /nfs/dbraw/zinc/71/64/45/940716445.db2.gz IYJMFZILTFYDDY-KJJMTIBFSA-N 2 0 362.517 3.948 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000511506022 940782601 /nfs/dbraw/zinc/78/26/01/940782601.db2.gz MOQHIOCPQKUALK-UHFFFAOYSA-N 2 0 353.510 3.824 20 0 FHADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310783586 940811821 /nfs/dbraw/zinc/81/18/21/940811821.db2.gz CDXBHYRFXVMSMI-DJPFJPOOSA-N 2 0 358.913 3.874 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)cc1 ZINC000892573664 940813346 /nfs/dbraw/zinc/81/33/46/940813346.db2.gz VBKHPSDQOVJVFW-KRWDZBQOSA-N 2 0 352.526 3.962 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892579555 940825622 /nfs/dbraw/zinc/82/56/22/940825622.db2.gz ATHHGGFTLPVLIH-KRWDZBQOSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892580694 940836552 /nfs/dbraw/zinc/83/65/52/940836552.db2.gz NLTSOTWTIZIUEB-QGZVFWFLSA-N 2 0 352.526 3.962 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000414257074 940845130 /nfs/dbraw/zinc/84/51/30/940845130.db2.gz WVGNRCJKLMMMSK-JZZBYWGLSA-N 2 0 374.573 3.613 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000414301052 940916777 /nfs/dbraw/zinc/91/67/77/940916777.db2.gz VLDXGJCHZQMILX-ZNLUXHQJSA-N 2 0 356.485 3.544 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582186 940949335 /nfs/dbraw/zinc/94/93/35/940949335.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 2 0 355.570 3.849 20 0 FHADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322912 940969541 /nfs/dbraw/zinc/96/95/41/940969541.db2.gz HWBFOJXREGAOJQ-IRLDBZIGSA-N 2 0 371.569 3.832 20 0 FHADRP CCC[N@H+](CCC[NH+](CC)CC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000472586939 940975061 /nfs/dbraw/zinc/97/50/61/940975061.db2.gz UENPKJMAIHSWOU-UHFFFAOYSA-N 2 0 359.558 3.735 20 0 FHADRP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414325428 940975586 /nfs/dbraw/zinc/97/55/86/940975586.db2.gz MCYXWCYXJLKIPI-GOSISDBHSA-N 2 0 365.521 3.543 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1C(C)(C)C1(C)C ZINC000414335713 940998037 /nfs/dbraw/zinc/99/80/37/940998037.db2.gz YIZKYZJGGNXJAA-MRXNPFEDSA-N 2 0 371.569 3.544 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317508 941012927 /nfs/dbraw/zinc/01/29/27/941012927.db2.gz PXYBWSYADSCHMQ-DYVFJYSZSA-N 2 0 356.341 3.596 20 0 FHADRP CC(C)CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414345444 941014758 /nfs/dbraw/zinc/01/47/58/941014758.db2.gz TUACWZVCEBSGQU-JOCHJYFZSA-N 2 0 371.569 3.688 20 0 FHADRP CC(C)C[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414346551 941016950 /nfs/dbraw/zinc/01/69/50/941016950.db2.gz VMNRSLQYGCAYGZ-MOPGFXCFSA-N 2 0 373.585 3.934 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134392556 941064664 /nfs/dbraw/zinc/06/46/64/941064664.db2.gz BZHJDPXUTOWEHK-WBVHZDCISA-N 2 0 357.325 3.807 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544552 941064713 /nfs/dbraw/zinc/06/47/13/941064713.db2.gz RYNJHCMIDWZHBV-ROUUACIJSA-N 2 0 356.489 3.531 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000647543358 941065278 /nfs/dbraw/zinc/06/52/78/941065278.db2.gz LSPPMLIJFOXLOC-OALUTQOASA-N 2 0 352.526 3.607 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544033 941065950 /nfs/dbraw/zinc/06/59/50/941065950.db2.gz VQJGPTKNXIQKJW-PMACEKPBSA-N 2 0 352.526 3.701 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Sc1ccc(Br)cc1 ZINC000647548436 941070294 /nfs/dbraw/zinc/07/02/94/941070294.db2.gz AKYYDEKKGIHROM-HLPPOEQASA-N 2 0 369.372 3.907 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000414388663 941085010 /nfs/dbraw/zinc/08/50/10/941085010.db2.gz CIJCZQOAKVONLM-UHFFFAOYSA-N 2 0 370.447 3.810 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369529 941093075 /nfs/dbraw/zinc/09/30/75/941093075.db2.gz FAXLPJNDLZDRCY-YTQUADARSA-N 2 0 364.493 3.834 20 0 FHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000164569746 941123782 /nfs/dbraw/zinc/12/37/82/941123782.db2.gz HFVKGCJBRYQSBA-BHIYHBOVSA-N 2 0 365.562 3.629 20 0 FHADRP C[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1c1ccccc1 ZINC000423527024 941124670 /nfs/dbraw/zinc/12/46/70/941124670.db2.gz LXGKAJYFOYOYCM-LAXPSPDDSA-N 2 0 353.554 3.565 20 0 FHADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479484 941128159 /nfs/dbraw/zinc/12/81/59/941128159.db2.gz RQZGGHQPXBOLEY-XMSQKQJNSA-N 2 0 365.521 3.531 20 0 FHADRP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479537 941128374 /nfs/dbraw/zinc/12/83/74/941128374.db2.gz RQZGGHQPXBOLEY-AVRDEDQJSA-N 2 0 365.521 3.531 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000659286947 941147525 /nfs/dbraw/zinc/14/75/25/941147525.db2.gz UBHILLCREKCJID-JTSKRJEESA-N 2 0 363.505 3.563 20 0 FHADRP Fc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000178915010 941318435 /nfs/dbraw/zinc/31/84/35/941318435.db2.gz TVOFWBZPCDEPCS-UHFFFAOYSA-N 2 0 362.489 3.780 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000376861193 941453589 /nfs/dbraw/zinc/45/35/89/941453589.db2.gz RNQRZVJWNAPHQV-NRSFXHEJSA-N 2 0 356.432 3.597 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000377084149 941511126 /nfs/dbraw/zinc/51/11/26/941511126.db2.gz QPXQZCGZFRYAMF-ZDUSSCGKSA-N 2 0 364.415 3.669 20 0 FHADRP OC[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076718 941513117 /nfs/dbraw/zinc/51/31/17/941513117.db2.gz HRPYJKHMLLADMF-NABGWTBKSA-N 2 0 362.517 3.993 20 0 FHADRP C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000377167906 941534695 /nfs/dbraw/zinc/53/46/95/941534695.db2.gz GYZLJNYPWFVFHU-INIZCTEOSA-N 2 0 353.466 3.563 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022642 941546779 /nfs/dbraw/zinc/54/67/79/941546779.db2.gz JEQOYLURQOXKST-JYJNAYRXSA-N 2 0 351.922 3.720 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000415027311 941549379 /nfs/dbraw/zinc/54/93/79/941549379.db2.gz AXNMHOOUQZIFRB-GDBMZVCRSA-N 2 0 357.885 3.809 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415030752 941554751 /nfs/dbraw/zinc/55/47/51/941554751.db2.gz GEOPUJGPTWVYHT-VQIMIIECSA-N 2 0 358.457 3.630 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccccc1 ZINC000415048964 941565488 /nfs/dbraw/zinc/56/54/88/941565488.db2.gz GWNGHGYVYATFAN-HNNXBMFYSA-N 2 0 364.392 3.587 20 0 FHADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415052882 941568177 /nfs/dbraw/zinc/56/81/77/941568177.db2.gz LWFHTVXRBVCIRP-SCZRWQTQSA-N 2 0 355.570 3.594 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415044668 941569137 /nfs/dbraw/zinc/56/91/37/941569137.db2.gz AVOBWSIYPQWYFK-NRFANRHFSA-N 2 0 352.457 3.890 20 0 FHADRP c1ccc(C2CCC(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)CC2)cc1 ZINC000415047052 941569948 /nfs/dbraw/zinc/56/99/48/941569948.db2.gz DOPONBUTPFQKQX-UHFFFAOYSA-N 2 0 355.570 3.766 20 0 FHADRP c1ccc([C@H]2CCCC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415057668 941570582 /nfs/dbraw/zinc/57/05/82/941570582.db2.gz RZLAFDANUOAQBD-ZDDBVQPTSA-N 2 0 355.570 3.909 20 0 FHADRP Cc1nc(COc2ccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc2)no1 ZINC000415062103 941580072 /nfs/dbraw/zinc/58/00/72/941580072.db2.gz ZPUJYLJUBFGAMG-HXUWFJFHSA-N 2 0 366.465 3.527 20 0 FHADRP COc1cccc(C([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c2cccc(OC)c2)c1 ZINC000415074696 941586457 /nfs/dbraw/zinc/58/64/57/941586457.db2.gz ABFRAYKCOIFEGT-SJORKVTESA-N 2 0 354.494 3.771 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415097789 941602793 /nfs/dbraw/zinc/60/27/93/941602793.db2.gz DMCKGRLWXVOSLF-VQIMIIECSA-N 2 0 365.512 3.830 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)sc1Br ZINC000415110467 941610632 /nfs/dbraw/zinc/61/06/32/941610632.db2.gz PBWGDJYMMMPLAF-HUUCEWRRSA-N 2 0 373.360 3.537 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)sc1Br ZINC000415110469 941610726 /nfs/dbraw/zinc/61/07/26/941610726.db2.gz PBWGDJYMMMPLAF-LSDHHAIUSA-N 2 0 373.360 3.537 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)C1 ZINC000415118920 941614523 /nfs/dbraw/zinc/61/45/23/941614523.db2.gz DSNCEHXKHFFNOC-RDJZCZTQSA-N 2 0 360.395 3.563 20 0 FHADRP Clc1cc(Cl)cc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000415126142 941615460 /nfs/dbraw/zinc/61/54/60/941615460.db2.gz TUIWINYXMLXMIG-QGZVFWFLSA-N 2 0 356.341 3.690 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127764 941622680 /nfs/dbraw/zinc/62/26/80/941622680.db2.gz RETYMQSTSPJLGY-DNVCBOLYSA-N 2 0 354.897 3.630 20 0 FHADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000613660099 941624400 /nfs/dbraw/zinc/62/44/00/941624400.db2.gz HQRHRKLARHEFES-FGZHOGPDSA-N 2 0 365.521 3.531 20 0 FHADRP CCC[N@H+](CC)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000472715544 941625157 /nfs/dbraw/zinc/62/51/57/941625157.db2.gz PXPKFEDCHQECDJ-UHFFFAOYSA-N 2 0 360.546 3.568 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc(C)c1OC(F)F ZINC000415135972 941625982 /nfs/dbraw/zinc/62/59/82/941625982.db2.gz WWUPDWMXSXPKBL-HKUYNNGSSA-N 2 0 368.468 3.623 20 0 FHADRP NC1(C[NH2+]CCSCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140860 941628196 /nfs/dbraw/zinc/62/81/96/941628196.db2.gz ZOGIJZJDXXAKDZ-UHFFFAOYSA-N 2 0 369.578 3.503 20 0 FHADRP Cc1noc2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894209174 941707880 /nfs/dbraw/zinc/70/78/80/941707880.db2.gz PHQMDDXRZRWLJK-GOSISDBHSA-N 2 0 350.466 3.533 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204952 941779854 /nfs/dbraw/zinc/77/98/54/941779854.db2.gz YDLKCMDTEWKSBF-UGKGYDQZSA-N 2 0 365.606 3.510 20 0 FHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513218974 941792147 /nfs/dbraw/zinc/79/21/47/941792147.db2.gz RRPCUXPQHQKVBW-MRXNPFEDSA-N 2 0 363.512 3.893 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513337146 941859502 /nfs/dbraw/zinc/85/95/02/941859502.db2.gz CSMUTGXSTDGPJV-HXUWFJFHSA-N 2 0 360.505 3.699 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183727851 941909421 /nfs/dbraw/zinc/90/94/21/941909421.db2.gz FKCMTTSCRDRNJA-UHFFFAOYSA-N 2 0 354.336 3.692 20 0 FHADRP C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462626 941941210 /nfs/dbraw/zinc/94/12/10/941941210.db2.gz FVJMQKWQFQCPSP-OIBXWCBGSA-N 2 0 351.538 3.932 20 0 FHADRP C[C@@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462627 941941318 /nfs/dbraw/zinc/94/13/18/941941318.db2.gz FVJMQKWQFQCPSP-PTUXOGIPSA-N 2 0 351.538 3.932 20 0 FHADRP O[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CN1CCc2ccccc2C1 ZINC000513473216 941952304 /nfs/dbraw/zinc/95/23/04/941952304.db2.gz ULIFVNICTDPBEA-YADHBBJMSA-N 2 0 370.924 3.800 20 0 FHADRP CCn1nc(C)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000513501417 941973708 /nfs/dbraw/zinc/97/37/08/941973708.db2.gz SUJNSBIQTJXNRC-LAUBAEHRSA-N 2 0 354.542 3.910 20 0 FHADRP CCn1nc(C)c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000513501419 941973871 /nfs/dbraw/zinc/97/38/71/941973871.db2.gz SUJNSBIQTJXNRC-UWJYYQICSA-N 2 0 354.542 3.910 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000513510741 941982536 /nfs/dbraw/zinc/98/25/36/941982536.db2.gz FWCSFWCQHZEDIV-WMZOPIPTSA-N 2 0 358.555 3.599 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513652497 942056042 /nfs/dbraw/zinc/05/60/42/942056042.db2.gz ASSZPRTVQULMKO-PWRODBHTSA-N 2 0 352.526 3.958 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000513661700 942070761 /nfs/dbraw/zinc/07/07/61/942070761.db2.gz VKFBBZHAUNMFOL-WIYYLYMNSA-N 2 0 371.569 3.911 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccccc2C[NH2+]C)CC1)CC1CC1 ZINC000415905508 942132943 /nfs/dbraw/zinc/13/29/43/942132943.db2.gz UXWMQAFVUFONNO-UHFFFAOYSA-N 2 0 372.557 3.772 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000501980463 942149896 /nfs/dbraw/zinc/14/98/96/942149896.db2.gz RXQWSMOMONPREA-NRFANRHFSA-N 2 0 357.586 3.893 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415925697 942154877 /nfs/dbraw/zinc/15/48/77/942154877.db2.gz BLFWMZGKAYHNDS-OXJNMPFZSA-N 2 0 354.498 3.527 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000415933013 942158355 /nfs/dbraw/zinc/15/83/55/942158355.db2.gz PCFULFBGHRTTMU-MAUKXSAKSA-N 2 0 358.486 3.640 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000415926919 942164035 /nfs/dbraw/zinc/16/40/35/942164035.db2.gz BYPPPNPGOAULBB-QZTJIDSGSA-N 2 0 360.546 3.676 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1)CC1CC1 ZINC000415945350 942177133 /nfs/dbraw/zinc/17/71/33/942177133.db2.gz CRXNSVSGEAYVOO-UHFFFAOYSA-N 2 0 358.530 3.511 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415945878 942178788 /nfs/dbraw/zinc/17/87/88/942178788.db2.gz RYILWNWWTAFTRI-LAUBAEHRSA-N 2 0 366.509 3.581 20 0 FHADRP Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414469811 942185896 /nfs/dbraw/zinc/18/58/96/942185896.db2.gz NACZDFMONPLMKS-JOCHJYFZSA-N 2 0 364.537 3.908 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000415956898 942188026 /nfs/dbraw/zinc/18/80/26/942188026.db2.gz OYIXCICSOBSISL-UHFFFAOYSA-N 2 0 368.525 3.828 20 0 FHADRP [NH3+]Cc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000415965408 942204033 /nfs/dbraw/zinc/20/40/33/942204033.db2.gz YIVHUGNVULTKOQ-LJQANCHMSA-N 2 0 372.900 3.757 20 0 FHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431855946 942206411 /nfs/dbraw/zinc/20/64/11/942206411.db2.gz CTPKVIQDFXHZNM-YADHBBJMSA-N 2 0 371.569 3.622 20 0 FHADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000415978172 942220751 /nfs/dbraw/zinc/22/07/51/942220751.db2.gz XGEFLFFQPHZFQC-OLZOCXBDSA-N 2 0 372.435 3.549 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415982310 942225719 /nfs/dbraw/zinc/22/57/19/942225719.db2.gz KUGIOCGRCYFUFT-MSOLQXFVSA-N 2 0 366.509 3.533 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000415986117 942235139 /nfs/dbraw/zinc/23/51/39/942235139.db2.gz UQSZZCNDZXPELA-UHFFFAOYSA-N 2 0 360.546 3.770 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000501006854 942254593 /nfs/dbraw/zinc/25/45/93/942254593.db2.gz IYDSRDQMFGRQTK-NRFANRHFSA-N 2 0 365.512 3.908 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000501006856 942254892 /nfs/dbraw/zinc/25/48/92/942254892.db2.gz IYDSRDQMFGRQTK-OAQYLSRUSA-N 2 0 365.512 3.908 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000416010320 942258852 /nfs/dbraw/zinc/25/88/52/942258852.db2.gz NVWJOLAWBPAPGG-UHFFFAOYSA-N 2 0 358.530 3.654 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000420931714 942260819 /nfs/dbraw/zinc/26/08/19/942260819.db2.gz GVLJAHINBJLQEM-VGSWGCGISA-N 2 0 371.956 3.951 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000431856883 942260852 /nfs/dbraw/zinc/26/08/52/942260852.db2.gz KAWKBOOQJSMNJR-TZIWHRDSSA-N 2 0 363.590 3.754 20 0 FHADRP COC(=O)c1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000501069746 942288180 /nfs/dbraw/zinc/28/81/80/942288180.db2.gz QHPOMTRPPHIZFC-UHFFFAOYSA-N 2 0 373.522 3.587 20 0 FHADRP CC[NH+]1CCN(c2ccccc2CNc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000414487116 942294102 /nfs/dbraw/zinc/29/41/02/942294102.db2.gz MEHPNMXWJRMLMH-UHFFFAOYSA-N 2 0 370.516 3.641 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000419773314 942378315 /nfs/dbraw/zinc/37/83/15/942378315.db2.gz AMGHBEDJCUIDLP-UHFFFAOYSA-N 2 0 351.485 3.742 20 0 FHADRP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414822513 942420130 /nfs/dbraw/zinc/42/01/30/942420130.db2.gz AJOHVHZPJAITEC-ZFWWWQNUSA-N 2 0 360.420 3.504 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000416169290 942428770 /nfs/dbraw/zinc/42/87/70/942428770.db2.gz DDBJAFWYRSBRKG-NRFANRHFSA-N 2 0 357.542 3.593 20 0 FHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501386135 942454220 /nfs/dbraw/zinc/45/42/20/942454220.db2.gz JTGVQYSVBGVGBT-NQIIRXRSSA-N 2 0 353.510 3.838 20 0 FHADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299827 942455703 /nfs/dbraw/zinc/45/57/03/942455703.db2.gz ZKMZJXOUDNIPCE-NRFANRHFSA-N 2 0 361.574 3.508 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501417364 942458459 /nfs/dbraw/zinc/45/84/59/942458459.db2.gz CSDFMQCRJTTXQD-TZIWHRDSSA-N 2 0 353.510 3.838 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828031 942466017 /nfs/dbraw/zinc/46/60/17/942466017.db2.gz IGGFDZQCHSURGF-JTQLQIEISA-N 2 0 351.210 3.557 20 0 FHADRP Cc1ccnc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000513713745 942475502 /nfs/dbraw/zinc/47/55/02/942475502.db2.gz SNCOGEUYPYJCPK-FQEVSTJZSA-N 2 0 352.526 3.643 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414831045 942487770 /nfs/dbraw/zinc/48/77/70/942487770.db2.gz PGTSVSZHZCCYDT-SFHVURJKSA-N 2 0 358.457 3.503 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501468684 942489949 /nfs/dbraw/zinc/48/99/49/942489949.db2.gz CLDMXQVYCFMSCB-IFMALSPDSA-N 2 0 367.537 3.881 20 0 FHADRP O=C(Nc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000414834545 942513657 /nfs/dbraw/zinc/51/36/57/942513657.db2.gz SOMBFEWWKBJMLZ-MRXNPFEDSA-N 2 0 357.885 3.682 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421366766 942517266 /nfs/dbraw/zinc/51/72/66/942517266.db2.gz CRHPUWDCKFYMNA-JEYLPNPQSA-N 2 0 367.921 3.528 20 0 FHADRP CCOc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000421366181 942518043 /nfs/dbraw/zinc/51/80/43/942518043.db2.gz BVJHFXZFUSYFKF-UHFFFAOYSA-N 2 0 374.447 3.989 20 0 FHADRP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000421366195 942518101 /nfs/dbraw/zinc/51/81/01/942518101.db2.gz BXRFLXCYCAIUSY-UHFFFAOYSA-N 2 0 356.466 3.696 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421367591 942519081 /nfs/dbraw/zinc/51/90/81/942519081.db2.gz FCONQLBTRUHTDS-OOHWJJMZSA-N 2 0 351.922 3.828 20 0 FHADRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370542 942522227 /nfs/dbraw/zinc/52/22/27/942522227.db2.gz JSERPUWHVZZOJB-MNNVXMFVSA-N 2 0 365.949 3.539 20 0 FHADRP CC(C)c1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000659941688 942564341 /nfs/dbraw/zinc/56/43/41/942564341.db2.gz BYKZOWCCJYIWLD-UHFFFAOYSA-N 2 0 373.585 3.726 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@@H]2CCCO2)c1 ZINC000513718166 942575878 /nfs/dbraw/zinc/57/58/78/942575878.db2.gz VZUKXCQREHOOGM-DOIPELPJSA-N 2 0 358.526 3.515 20 0 FHADRP C[C@H]1CCC[C@](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)([NH+](C)C)C1 ZINC000549416662 942585671 /nfs/dbraw/zinc/58/56/71/942585671.db2.gz ZFANDQRMUOXKJF-AVRDEDQJSA-N 2 0 357.542 3.523 20 0 FHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414522310 942604158 /nfs/dbraw/zinc/60/41/58/942604158.db2.gz GQKWLRTUIWZJJG-MOPGFXCFSA-N 2 0 362.583 3.523 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000420309079 942614734 /nfs/dbraw/zinc/61/47/34/942614734.db2.gz SXENNSFPFQXPFL-QGZVFWFLSA-N 2 0 374.912 3.686 20 0 FHADRP c1ccc(COCCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000420312643 942616061 /nfs/dbraw/zinc/61/60/61/942616061.db2.gz OOCBUHGCNPRHGY-JOCHJYFZSA-N 2 0 353.510 3.633 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(CN2CC[C@](C)(C[NH3+])C2)on1 ZINC000420315353 942618221 /nfs/dbraw/zinc/61/82/21/942618221.db2.gz LXGYNSOSRIOGIV-OAQYLSRUSA-N 2 0 351.450 3.674 20 0 FHADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420341007 942625126 /nfs/dbraw/zinc/62/51/26/942625126.db2.gz PPIGJJBEOWQBGT-VWPQPMDRSA-N 2 0 363.505 3.606 20 0 FHADRP C[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000414525305 942630223 /nfs/dbraw/zinc/63/02/23/942630223.db2.gz MCGRGQGDWWRCDU-GOSISDBHSA-N 2 0 356.485 3.546 20 0 FHADRP c1ccc(COc2cncc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c2)cc1 ZINC000420334065 942632298 /nfs/dbraw/zinc/63/22/98/942632298.db2.gz IGQXBMBRRMZVJS-JOCHJYFZSA-N 2 0 351.494 3.625 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383424 942648387 /nfs/dbraw/zinc/64/83/87/942648387.db2.gz ZRKYQUYPEIVGPA-NVXWUHKLSA-N 2 0 356.432 3.792 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000420395486 942653771 /nfs/dbraw/zinc/65/37/71/942653771.db2.gz DLJGKQZBUMPMTR-NSISKUIASA-N 2 0 360.885 3.511 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420375635 942656067 /nfs/dbraw/zinc/65/60/67/942656067.db2.gz JECLKAHOMHVPAY-XWIAVFTESA-N 2 0 354.441 3.567 20 0 FHADRP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501774067 942666774 /nfs/dbraw/zinc/66/67/74/942666774.db2.gz JGELKILQOQVATH-OAHLLOKOSA-N 2 0 351.922 3.721 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC000501785267 942671349 /nfs/dbraw/zinc/67/13/49/942671349.db2.gz KQWYIXLUYAUZFI-UHFFFAOYSA-N 2 0 368.949 3.919 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000502705726 942672953 /nfs/dbraw/zinc/67/29/53/942672953.db2.gz BLGWVPARRQAGAA-GOSISDBHSA-N 2 0 355.526 3.885 20 0 FHADRP CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)[C@@H]1CCCc2ccccc21 ZINC000501794912 942681522 /nfs/dbraw/zinc/68/15/22/942681522.db2.gz YCMRALWXOBLDSX-JOCHJYFZSA-N 2 0 371.569 3.576 20 0 FHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502723885 942695883 /nfs/dbraw/zinc/69/58/83/942695883.db2.gz SGFRUESFLWOYRB-UNMCSNQZSA-N 2 0 360.542 3.702 20 0 FHADRP CC(C)[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000502747021 942714457 /nfs/dbraw/zinc/71/44/57/942714457.db2.gz CBKRVDKVBZGWFU-QUCCMNQESA-N 2 0 374.573 3.535 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414551681 942813105 /nfs/dbraw/zinc/81/31/05/942813105.db2.gz PFZUFGSIPORLEV-NRFANRHFSA-N 2 0 371.569 3.622 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421851557 942847136 /nfs/dbraw/zinc/84/71/36/942847136.db2.gz GLOPIZJRDLQKHX-SFHVURJKSA-N 2 0 354.535 3.948 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000421843037 942855923 /nfs/dbraw/zinc/85/59/23/942855923.db2.gz MBIGPZZDUKAPJY-XMCHAPAWSA-N 2 0 368.924 3.768 20 0 FHADRP CCN(C(=O)C[NH+]1CCC(c2ncc3n2CCCC3)CC1)C1CCCCC1 ZINC000434674051 942858977 /nfs/dbraw/zinc/85/89/77/942858977.db2.gz GSRCDRRBHFWJRE-UHFFFAOYSA-N 2 0 372.557 3.580 20 0 FHADRP COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1C[NH+]1CCCCC1 ZINC000183352753 942862983 /nfs/dbraw/zinc/86/29/83/942862983.db2.gz SJOCENJIVOIATP-SJLPKXTDSA-N 2 0 370.541 3.994 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000421884108 942864022 /nfs/dbraw/zinc/86/40/22/942864022.db2.gz UAWIPUQSGXKJFO-FDTLVRFQSA-N 3 0 355.570 3.892 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000421890530 942867447 /nfs/dbraw/zinc/86/74/47/942867447.db2.gz XYTPRUKQOWQYQT-NVPAJSRCSA-N 2 0 361.921 3.753 20 0 FHADRP CCN1CCC[C@@H](C[N@H+](C)[C@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730233 942899054 /nfs/dbraw/zinc/89/90/54/942899054.db2.gz YMAISNGMVRFDRW-ZWCUEREDSA-N 2 0 370.541 3.895 20 0 FHADRP CC1(C)CCC(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414560670 942909113 /nfs/dbraw/zinc/90/91/13/942909113.db2.gz XLAXCGLHKAVOCM-UHFFFAOYSA-N 2 0 371.569 3.690 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000503037484 942932643 /nfs/dbraw/zinc/93/26/43/942932643.db2.gz HBMITRZHUBXEDC-MOPGFXCFSA-N 2 0 374.573 3.537 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@H]12 ZINC000503078927 942960776 /nfs/dbraw/zinc/96/07/76/942960776.db2.gz BKKVRRFFGZWNSN-POHNSKBLSA-N 2 0 363.590 3.655 20 0 FHADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414854944 942977260 /nfs/dbraw/zinc/97/72/60/942977260.db2.gz MHWGNCBOVJNZCX-FXAWDEMLSA-N 2 0 354.494 3.752 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000503122761 942989460 /nfs/dbraw/zinc/98/94/60/942989460.db2.gz ZXBVIWDXDITVEC-RTBURBONSA-N 2 0 374.573 3.680 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCN1CCc2ccccc2C1 ZINC000467308513 943022480 /nfs/dbraw/zinc/02/24/80/943022480.db2.gz KZCPGCHJOVSTHT-NRFANRHFSA-N 2 0 354.469 3.860 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414857338 943029556 /nfs/dbraw/zinc/02/95/56/943029556.db2.gz CWYMVTXAGKAPFN-CQSZACIVSA-N 2 0 367.921 3.707 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000513765079 943040963 /nfs/dbraw/zinc/04/09/63/943040963.db2.gz XRYZQGQLNLUHNR-UHFFFAOYSA-N 2 0 367.537 3.563 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1)CC1CC1 ZINC000503314919 943120123 /nfs/dbraw/zinc/12/01/23/943120123.db2.gz OZYKIAJEWNYSGF-OAQYLSRUSA-N 2 0 363.590 3.612 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1)CC(C)C ZINC000503316908 943121079 /nfs/dbraw/zinc/12/10/79/943121079.db2.gz RUHRPTHTMVFYQU-OAQYLSRUSA-N 2 0 365.606 3.858 20 0 FHADRP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1OCc1ccccc1 ZINC000414662148 943143556 /nfs/dbraw/zinc/14/35/56/943143556.db2.gz YVEOYCJNUMOJBH-UHFFFAOYSA-N 2 0 354.494 3.835 20 0 FHADRP COc1c(O)cccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000272413049 943152321 /nfs/dbraw/zinc/15/23/21/943152321.db2.gz LCQRTRMICQOMLD-UHFFFAOYSA-N 2 0 366.461 3.916 20 0 FHADRP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000514634326 943165562 /nfs/dbraw/zinc/16/55/62/943165562.db2.gz FGYKMMNGJOBIOD-UZLBHIALSA-N 2 0 368.477 3.649 20 0 FHADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000514668546 943202999 /nfs/dbraw/zinc/20/29/99/943202999.db2.gz ILVBMNPFSJTZOH-JXFKEZNVSA-N 2 0 368.949 3.633 20 0 FHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000422631204 943214321 /nfs/dbraw/zinc/21/43/21/943214321.db2.gz FGBTUEVJRHHYCI-UWVAXJGDSA-N 2 0 351.494 3.744 20 0 FHADRP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422687691 943227276 /nfs/dbraw/zinc/22/72/76/943227276.db2.gz BVWRKPMTHMLMLI-OXQOHEQNSA-N 2 0 355.482 3.880 20 0 FHADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422700226 943238014 /nfs/dbraw/zinc/23/80/14/943238014.db2.gz BTIFBMIROUIXEM-GFCCVEGCSA-N 2 0 363.889 3.760 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706724 943241379 /nfs/dbraw/zinc/24/13/79/943241379.db2.gz FRSLSMMNSASFOQ-YLJYHZDGSA-N 2 0 355.457 3.685 20 0 FHADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000422707109 943241426 /nfs/dbraw/zinc/24/14/26/943241426.db2.gz GRDZUMJHGBQITF-TZIWHRDSSA-N 2 0 351.494 3.854 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422705466 943241541 /nfs/dbraw/zinc/24/15/41/943241541.db2.gz CDRHIKYUCIAVBZ-OAHLLOKOSA-N 2 0 366.509 3.828 20 0 FHADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422706258 943241576 /nfs/dbraw/zinc/24/15/76/943241576.db2.gz UBXBSCDXLPDLIH-UAGQMJEPSA-N 2 0 355.295 3.641 20 0 FHADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422708401 943242180 /nfs/dbraw/zinc/24/21/80/943242180.db2.gz BYTSYGQFOZAWOI-KNQAVFIVSA-N 2 0 352.478 3.819 20 0 FHADRP CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422708402 943242331 /nfs/dbraw/zinc/24/23/31/943242331.db2.gz BYTSYGQFOZAWOI-SIKLNZKXSA-N 2 0 352.478 3.819 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(SCC)cc2)CC[NH2+]CC1 ZINC000422711827 943243694 /nfs/dbraw/zinc/24/36/94/943243694.db2.gz HLGZTZRLBAUEGQ-HOTGVXAUSA-N 2 0 364.555 3.771 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(SCC)cc2)CC[NH2+]CC1 ZINC000422711826 943243842 /nfs/dbraw/zinc/24/38/42/943243842.db2.gz HLGZTZRLBAUEGQ-CVEARBPZSA-N 2 0 364.555 3.771 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1C ZINC000272955435 943249844 /nfs/dbraw/zinc/24/98/44/943249844.db2.gz QVVQGTFLMJEFKQ-GOSISDBHSA-N 2 0 368.521 3.811 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422733170 943250909 /nfs/dbraw/zinc/25/09/09/943250909.db2.gz QSMRKNLMUKPWKG-KUHUBIRLSA-N 2 0 370.368 3.936 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422713328 943252634 /nfs/dbraw/zinc/25/26/34/943252634.db2.gz POBSKKLGPKCOMY-OAHLLOKOSA-N 2 0 357.464 3.777 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714475 943253819 /nfs/dbraw/zinc/25/38/19/943253819.db2.gz RBRBGQVWDYDEPT-VQIMIIECSA-N 2 0 369.475 3.777 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000422713426 943254120 /nfs/dbraw/zinc/25/41/20/943254120.db2.gz PQVYNENRFZHDLA-HNNXBMFYSA-N 2 0 366.933 3.529 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)c1ccco1 ZINC000422716156 943254878 /nfs/dbraw/zinc/25/48/78/943254878.db2.gz MZEQYSYVNUZWIV-GBESFXJTSA-N 2 0 353.466 3.542 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)ccn2)cc1 ZINC000422716002 943254991 /nfs/dbraw/zinc/25/49/91/943254991.db2.gz TZEHDUNPOMGTMG-OXQOHEQNSA-N 2 0 355.482 3.750 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])ccn2)cc1 ZINC000422718734 943256643 /nfs/dbraw/zinc/25/66/43/943256643.db2.gz XLBLTLUYBKDWNQ-YLJYHZDGSA-N 2 0 355.482 3.880 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC000422758757 943263456 /nfs/dbraw/zinc/26/34/56/943263456.db2.gz JWRCVEJOWONGLK-CHWSQXEVSA-N 2 0 362.315 3.893 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000273041457 943263958 /nfs/dbraw/zinc/26/39/58/943263958.db2.gz IQUMERBJFOJWNT-MOPGFXCFSA-N 2 0 359.558 3.512 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762097 943265954 /nfs/dbraw/zinc/26/59/54/943265954.db2.gz NKBGYYXPEOBWRE-QAPCUYQASA-N 2 0 370.459 3.861 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2ccc(OC)cc2)cc1 ZINC000422770954 943276644 /nfs/dbraw/zinc/27/66/44/943276644.db2.gz QVGGVNGCTFUFDJ-OBFZPWGMSA-N 2 0 354.494 3.847 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000093006873 943277082 /nfs/dbraw/zinc/27/70/82/943277082.db2.gz PDKKXVLXDGYURG-AREMUKBSSA-N 2 0 370.562 3.768 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769308 943276980 /nfs/dbraw/zinc/27/69/80/943276980.db2.gz OPIYSFMMVDYKAN-BTYIYWSLSA-N 2 0 355.482 3.668 20 0 FHADRP COc1ccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771846 943277432 /nfs/dbraw/zinc/27/74/32/943277432.db2.gz RRFYTILEDBBHFG-DENIHFKCSA-N 2 0 354.494 3.719 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000422771916 943277603 /nfs/dbraw/zinc/27/76/03/943277603.db2.gz WHMCIEWAFWIART-URVUXULASA-N 2 0 373.585 3.787 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000503590946 943278641 /nfs/dbraw/zinc/27/86/41/943278641.db2.gz DBUZXBGPHMGMON-UHFFFAOYSA-N 2 0 356.485 3.818 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422777975 943279047 /nfs/dbraw/zinc/27/90/47/943279047.db2.gz DEUPHFFPHDFKOD-JXFKEZNVSA-N 2 0 351.519 3.901 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422778069 943279095 /nfs/dbraw/zinc/27/90/95/943279095.db2.gz AAQRWLYCDHTELE-KRWDZBQOSA-N 3 0 352.526 3.685 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764326 943284912 /nfs/dbraw/zinc/28/49/12/943284912.db2.gz PWNHAOKXVUMNDT-KJGCVMFHSA-N 3 0 357.464 3.804 20 0 FHADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422795491 943286240 /nfs/dbraw/zinc/28/62/40/943286240.db2.gz VSZVKKVMYKAXJH-AGHHOFFYSA-N 2 0 352.478 3.608 20 0 FHADRP CCOCc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810011 943291104 /nfs/dbraw/zinc/29/11/04/943291104.db2.gz QSOIRWRCJOSPAF-RBBKRZOGSA-N 2 0 352.478 3.569 20 0 FHADRP C[C@@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C1CCCCC1 ZINC000549461910 943299133 /nfs/dbraw/zinc/29/91/33/943299133.db2.gz VRRKCBTURBMJFR-SFHVURJKSA-N 2 0 365.606 3.619 20 0 FHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839022 943301133 /nfs/dbraw/zinc/30/11/33/943301133.db2.gz PMKDIUODQCEWDC-NNWRFLSQSA-N 2 0 366.530 3.863 20 0 FHADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422815424 943302450 /nfs/dbraw/zinc/30/24/50/943302450.db2.gz BOTUDWIQWVRZFE-OKZBNKHCSA-N 2 0 361.496 3.551 20 0 FHADRP c1cc(OC2CCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422850125 943305023 /nfs/dbraw/zinc/30/50/23/943305023.db2.gz MVHGNLNNLFGMCW-BHIFYINESA-N 2 0 358.526 3.645 20 0 FHADRP CC[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422851955 943305892 /nfs/dbraw/zinc/30/58/92/943305892.db2.gz PVNQMCMEPUILEP-ZNLUXHQJSA-N 2 0 370.468 3.829 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422857059 943307195 /nfs/dbraw/zinc/30/71/95/943307195.db2.gz GODXGLSZFBDWMM-HOCLYGCPSA-N 2 0 351.922 3.877 20 0 FHADRP Cc1ccc(OCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422857618 943308154 /nfs/dbraw/zinc/30/81/54/943308154.db2.gz HEBHABPRIMHWFI-IFMALSPDSA-N 2 0 352.478 3.609 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422862617 943309682 /nfs/dbraw/zinc/30/96/82/943309682.db2.gz NTTQKZGJAUXNJZ-ROUUACIJSA-N 3 0 366.553 3.931 20 0 FHADRP c1ccc(C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422841892 943311711 /nfs/dbraw/zinc/31/17/11/943311711.db2.gz XBBKXXLBIOMQEX-MOUTVQLLSA-N 2 0 364.533 3.760 20 0 FHADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422843980 943312100 /nfs/dbraw/zinc/31/21/00/943312100.db2.gz KLJWSLUZJOZEJR-GGAORHGYSA-N 2 0 361.489 3.864 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844141 943312256 /nfs/dbraw/zinc/31/22/56/943312256.db2.gz KYFJBPQDARIYLK-QVKFZJNVSA-N 2 0 372.944 3.990 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844140 943312405 /nfs/dbraw/zinc/31/24/05/943312405.db2.gz KYFJBPQDARIYLK-BTYIYWSLSA-N 2 0 372.944 3.990 20 0 FHADRP Clc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843422 943312410 /nfs/dbraw/zinc/31/24/10/943312410.db2.gz IFPGVYIJFUAHTQ-BURNTYAHSA-N 2 0 361.961 3.987 20 0 FHADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514824902 943313890 /nfs/dbraw/zinc/31/38/90/943313890.db2.gz BUDKXTQGPNMAJU-FYYLOGMGSA-N 2 0 374.488 3.526 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422880121 943314963 /nfs/dbraw/zinc/31/49/63/943314963.db2.gz NFVUCAHBEVYLNO-GSEOLPGOSA-N 2 0 361.961 3.985 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000422891862 943315220 /nfs/dbraw/zinc/31/52/20/943315220.db2.gz LSVZQDSWRMRMAD-AOIWGVFYSA-N 2 0 364.530 3.682 20 0 FHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883114 943316231 /nfs/dbraw/zinc/31/62/31/943316231.db2.gz BOZMRBFBEJUWRG-JQVVWYNYSA-N 2 0 350.462 3.528 20 0 FHADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000514813115 943316887 /nfs/dbraw/zinc/31/68/87/943316887.db2.gz XLPXNEODGRQYCL-ZIAGYGMSSA-N 2 0 357.311 3.841 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422886103 943317499 /nfs/dbraw/zinc/31/74/99/943317499.db2.gz WCMMUJNDGDRNHQ-CVEARBPZSA-N 2 0 357.473 3.785 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422884674 943317696 /nfs/dbraw/zinc/31/76/96/943317696.db2.gz SOMVCOQXULSBBK-GQIGUUNPSA-N 2 0 358.530 3.932 20 0 FHADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422888179 943318460 /nfs/dbraw/zinc/31/84/60/943318460.db2.gz BXTVFPJNSIXGJF-VRXWPRPYSA-N 2 0 357.542 3.615 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889161 943318704 /nfs/dbraw/zinc/31/87/04/943318704.db2.gz FIOVZUMTGGKHRC-OAHLLOKOSA-N 2 0 368.363 3.521 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000422890408 943319667 /nfs/dbraw/zinc/31/96/67/943319667.db2.gz RXJXBLATFPGPSY-LMMKCTJWSA-N 3 0 366.553 3.656 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422890066 943319697 /nfs/dbraw/zinc/31/96/97/943319697.db2.gz HUMDALNPKWVAQE-GFCCVEGCSA-N 2 0 353.388 3.641 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422870489 943321156 /nfs/dbraw/zinc/32/11/56/943321156.db2.gz BXKYWLHJFJRQKE-GXRSIYKFSA-N 2 0 372.553 3.953 20 0 FHADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422891817 943322765 /nfs/dbraw/zinc/32/27/65/943322765.db2.gz LNJINRPZBMIYTE-QHAWAJNXSA-N 2 0 356.558 3.862 20 0 FHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422875074 943323450 /nfs/dbraw/zinc/32/34/50/943323450.db2.gz BPONCLIGFDESIN-HSALFYBXSA-N 2 0 362.945 3.899 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422901320 943324440 /nfs/dbraw/zinc/32/44/40/943324440.db2.gz RXQUKEYBTNOSOX-OLMNPRSZSA-N 2 0 366.347 3.525 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422901321 943324700 /nfs/dbraw/zinc/32/47/00/943324700.db2.gz RXQUKEYBTNOSOX-QGTPRVQTSA-N 2 0 366.347 3.525 20 0 FHADRP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907740 943327310 /nfs/dbraw/zinc/32/73/10/943327310.db2.gz CHEDNOUKDFMXJJ-KZNAEPCWSA-N 2 0 356.539 3.648 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000422917311 943329539 /nfs/dbraw/zinc/32/95/39/943329539.db2.gz FXIPVDXNUORXEK-JXFKEZNVSA-N 2 0 362.901 3.782 20 0 FHADRP CC[NH+](CC)CCOc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422893311 943330160 /nfs/dbraw/zinc/33/01/60/943330160.db2.gz PZRBYFFTBREPPR-VXKWHMMOSA-N 2 0 353.510 3.642 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422895947 943331309 /nfs/dbraw/zinc/33/13/09/943331309.db2.gz GVYYBOZIBFVKQY-YPAWHYETSA-N 2 0 372.553 3.644 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422925582 943334179 /nfs/dbraw/zinc/33/41/79/943334179.db2.gz BDRJVOTXLCSPGC-GOSISDBHSA-N 2 0 350.865 3.990 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000422937020 943337890 /nfs/dbraw/zinc/33/78/90/943337890.db2.gz IZAIREYQRQAUSX-HXOBKFHXSA-N 2 0 366.553 3.582 20 0 FHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422942172 943339808 /nfs/dbraw/zinc/33/98/08/943339808.db2.gz IWVXKIGLYTZFMW-CABCVRRESA-N 2 0 359.539 3.936 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC(C)C)c2cccs2)CC[NH2+]CC1 ZINC000422943999 943344734 /nfs/dbraw/zinc/34/47/34/943344734.db2.gz LWMFEPWJNNVZMV-HZPDHXFCSA-N 2 0 352.544 3.746 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922379 943346632 /nfs/dbraw/zinc/34/66/32/943346632.db2.gz KSNFJGYSYPVYET-ZWKOTPCHSA-N 2 0 351.560 3.512 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422951792 943347596 /nfs/dbraw/zinc/34/75/96/943347596.db2.gz AERPWOHVVAFTRR-GFCCVEGCSA-N 2 0 353.388 3.597 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000422991764 943352870 /nfs/dbraw/zinc/35/28/70/943352870.db2.gz BOPJIHDJISSUQB-QGZVFWFLSA-N 2 0 369.347 3.604 20 0 FHADRP CCOc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1OCC(F)(F)F ZINC000435375729 943356762 /nfs/dbraw/zinc/35/67/62/943356762.db2.gz ODSMFYILEDEORO-CYBMUJFWSA-N 2 0 360.420 3.586 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422978499 943357085 /nfs/dbraw/zinc/35/70/85/943357085.db2.gz HMOOKLWXDRBEIH-GHTZIAJQSA-N 2 0 359.558 3.614 20 0 FHADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000422979837 943357180 /nfs/dbraw/zinc/35/71/80/943357180.db2.gz KMJDRERBEWERDL-DNVJHFABSA-N 2 0 371.569 3.614 20 0 FHADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895750 943357200 /nfs/dbraw/zinc/35/72/00/943357200.db2.gz BLSIUFZUYWUYRJ-OYDLWJJNSA-N 2 0 367.581 3.871 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCOC2)cc1 ZINC000422986183 943358954 /nfs/dbraw/zinc/35/89/54/943358954.db2.gz GQCPXOAYNXIRKU-NKRSRWBGSA-N 2 0 364.489 3.610 20 0 FHADRP Clc1ccccc1OCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003648 943362197 /nfs/dbraw/zinc/36/21/97/943362197.db2.gz MRNPWPZYUXFHCE-FXAWDEMLSA-N 2 0 358.869 3.564 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000503769093 943363701 /nfs/dbraw/zinc/36/37/01/943363701.db2.gz ZOZZQOCUMJXILA-GOSISDBHSA-N 2 0 374.573 3.727 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423011179 943364343 /nfs/dbraw/zinc/36/43/43/943364343.db2.gz ANUWZLGZHNHHBK-QEORTHHSSA-N 2 0 357.325 3.757 20 0 FHADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000514888949 943364321 /nfs/dbraw/zinc/36/43/21/943364321.db2.gz XMZPDQXQMYGLEF-DTQAZKPQSA-N 2 0 369.475 3.724 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423017305 943365091 /nfs/dbraw/zinc/36/50/91/943365091.db2.gz OJIXNGLSDCHYPG-HZUKXOBISA-N 2 0 363.354 3.569 20 0 FHADRP [NH3+]CC1CCC([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000423015037 943365262 /nfs/dbraw/zinc/36/52/62/943365262.db2.gz QFUVLMBDCDZXIA-UHFFFAOYSA-N 2 0 365.827 3.630 20 0 FHADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000435381060 943369472 /nfs/dbraw/zinc/36/94/72/943369472.db2.gz UXQJJFGFEGALGG-QGZVFWFLSA-N 2 0 371.506 3.503 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423023663 943369860 /nfs/dbraw/zinc/36/98/60/943369860.db2.gz HZKVXWAFWPYLAS-DTWKUNHWSA-N 2 0 370.118 3.850 20 0 FHADRP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435380981 943370277 /nfs/dbraw/zinc/37/02/77/943370277.db2.gz QZEVQQIREFJMBM-FKEKPDDDSA-N 2 0 364.415 3.606 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000435387012 943374739 /nfs/dbraw/zinc/37/47/39/943374739.db2.gz ZXTSAJQBVKVNTN-UHFFFAOYSA-N 2 0 357.885 3.763 20 0 FHADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040653 943374941 /nfs/dbraw/zinc/37/49/41/943374941.db2.gz HSHYQOUXJWDNGN-LLBUTXAOSA-N 2 0 351.897 3.568 20 0 FHADRP CC(C)N1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423043273 943375122 /nfs/dbraw/zinc/37/51/22/943375122.db2.gz OCHVWZXSIOPAOO-VAZMBZEVSA-N 2 0 351.485 3.596 20 0 FHADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000423054750 943376152 /nfs/dbraw/zinc/37/61/52/943376152.db2.gz UYCYDXFMFAWTAA-YPAWHYETSA-N 2 0 356.554 3.926 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000435389019 943376896 /nfs/dbraw/zinc/37/68/96/943376896.db2.gz KFSQNRRZFUFMSX-UHFFFAOYSA-N 2 0 357.885 3.763 20 0 FHADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423057813 943377494 /nfs/dbraw/zinc/37/74/94/943377494.db2.gz AWLALGXKMZSAMO-CWLKWCNXSA-N 2 0 367.459 3.794 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423060609 943377935 /nfs/dbraw/zinc/37/79/35/943377935.db2.gz IPAKFSCGFYDRME-YEWWUXTCSA-N 2 0 354.897 3.633 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000423060023 943377975 /nfs/dbraw/zinc/37/79/75/943377975.db2.gz HDWFVFZAKJGAGF-SJORKVTESA-N 2 0 373.310 3.773 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000435393522 943379646 /nfs/dbraw/zinc/37/96/46/943379646.db2.gz GPMYDKMZLCUXAW-CQSZACIVSA-N 2 0 360.933 3.761 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423051463 943383614 /nfs/dbraw/zinc/38/36/14/943383614.db2.gz NJWHZWXYEOGROO-NDXORKPFSA-N 2 0 353.510 3.883 20 0 FHADRP C[C@H]([NH2+][C@H](Cc1cccc(Br)c1)CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000423054309 943384966 /nfs/dbraw/zinc/38/49/66/943384966.db2.gz UGYWZPLYHBZXQJ-XCRHUMRWSA-N 2 0 351.332 3.748 20 0 FHADRP CCO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089112 943390888 /nfs/dbraw/zinc/39/08/88/943390888.db2.gz RRZRXVLEAXKDPJ-NNWRFLSQSA-N 2 0 352.478 3.610 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423090469 943391349 /nfs/dbraw/zinc/39/13/49/943391349.db2.gz XRDQLZXJNLJWEW-VFPGXZCRSA-N 2 0 361.496 3.692 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423125756 943398866 /nfs/dbraw/zinc/39/88/66/943398866.db2.gz ACSDBEMFQVVZHM-GVDBMIGSSA-N 2 0 366.933 3.800 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423125755 943399003 /nfs/dbraw/zinc/39/90/03/943399003.db2.gz ACSDBEMFQVVZHM-BRWVUGGUSA-N 2 0 366.933 3.800 20 0 FHADRP COc1cc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423127009 943399236 /nfs/dbraw/zinc/39/92/36/943399236.db2.gz BQWAUCJSGVBBHX-RXVVDRJESA-N 2 0 372.896 3.737 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104756 943401802 /nfs/dbraw/zinc/40/18/02/943401802.db2.gz MQAVCZREWWABFC-XPWALMASSA-N 2 0 371.569 3.560 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132799 943413925 /nfs/dbraw/zinc/41/39/25/943413925.db2.gz UWKOICLUKSRARL-ZHRRBRCNSA-N 2 0 370.541 3.589 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423135167 943414448 /nfs/dbraw/zinc/41/44/48/943414448.db2.gz FHQAIDYLRZFSQX-OYDLWJJNSA-N 2 0 365.565 3.837 20 0 FHADRP Cc1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C[NH+](C)C ZINC000514953442 943418544 /nfs/dbraw/zinc/41/85/44/943418544.db2.gz WNZIMEMDUYAWRB-HXUWFJFHSA-N 2 0 351.494 3.517 20 0 FHADRP Clc1ccccc1C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccsc1 ZINC000423176999 943428247 /nfs/dbraw/zinc/42/82/47/943428247.db2.gz DIDJURZKMQQKPD-LJQANCHMSA-N 2 0 363.958 3.570 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423213554 943433620 /nfs/dbraw/zinc/43/36/20/943433620.db2.gz NNLXZUMJZNTZCJ-MSOLQXFVSA-N 2 0 364.493 3.564 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000503986615 943443015 /nfs/dbraw/zinc/44/30/15/943443015.db2.gz LWGIGDASHQAIQE-TZIWHRDSSA-N 2 0 374.573 3.582 20 0 FHADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417216061 943444051 /nfs/dbraw/zinc/44/40/51/943444051.db2.gz JDBYNDQRJGCHRM-SFHVURJKSA-N 2 0 374.573 3.768 20 0 FHADRP COCCC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215057 943445780 /nfs/dbraw/zinc/44/57/80/943445780.db2.gz QCDQUUYACSULTI-YOEHRIQHSA-N 2 0 355.320 3.506 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000503976816 943448537 /nfs/dbraw/zinc/44/85/37/943448537.db2.gz JARJUTOOMJPFMM-BGYRXZFFSA-N 2 0 368.610 3.505 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1)C(C)C ZINC000504010550 943454898 /nfs/dbraw/zinc/45/48/98/943454898.db2.gz WBTBNYQYPHMGBH-UHFFFAOYSA-N 2 0 374.573 3.543 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423263435 943455645 /nfs/dbraw/zinc/45/56/45/943455645.db2.gz XGLCFLMMWIICGM-CZUORRHYSA-N 2 0 353.304 3.642 20 0 FHADRP C[NH2+]Cc1cccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000414869750 943458063 /nfs/dbraw/zinc/45/80/63/943458063.db2.gz QRCKXCJLVVUMQU-UHFFFAOYSA-N 2 0 352.526 3.549 20 0 FHADRP COCCC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000423251353 943459492 /nfs/dbraw/zinc/45/94/92/943459492.db2.gz RVCYCDOFKJESMM-WMLDXEAASA-N 2 0 355.320 3.506 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423307319 943471408 /nfs/dbraw/zinc/47/14/08/943471408.db2.gz VQUVTAJEAUAJBW-INIZCTEOSA-N 2 0 355.482 3.679 20 0 FHADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1([NH3+])CCC1 ZINC000423318849 943474616 /nfs/dbraw/zinc/47/46/16/943474616.db2.gz DVQCUSHEVMYVEH-SNVBAGLBSA-N 2 0 363.811 3.547 20 0 FHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000515052899 943477293 /nfs/dbraw/zinc/47/72/93/943477293.db2.gz OBGBDMDVMCXVIU-HLAWJBBLSA-N 2 0 354.542 3.947 20 0 FHADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423348764 943479410 /nfs/dbraw/zinc/47/94/10/943479410.db2.gz UWFPFWQHXFNHHV-ZBEGNZNMSA-N 2 0 353.329 3.741 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000584718725 943481322 /nfs/dbraw/zinc/48/13/22/943481322.db2.gz ZNFGLYICBBXVFM-SPEDKVCISA-N 2 0 365.521 3.831 20 0 FHADRP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414733826 943482035 /nfs/dbraw/zinc/48/20/35/943482035.db2.gz KGSOCUWSMFLBTP-KGLIPLIRSA-N 2 0 362.905 3.589 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000423338091 943484185 /nfs/dbraw/zinc/48/41/85/943484185.db2.gz ASGDSVVTNGOUKG-CYBMUJFWSA-N 2 0 361.873 3.552 20 0 FHADRP Cc1ccc([C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000423360308 943490997 /nfs/dbraw/zinc/49/09/97/943490997.db2.gz QKEGWLRPCUYMNE-UWJYYQICSA-N 2 0 351.494 3.582 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000423363310 943491695 /nfs/dbraw/zinc/49/16/95/943491695.db2.gz BTEDBRAKDMQUOT-USCONSEESA-N 2 0 354.494 3.575 20 0 FHADRP COC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000423365310 943492204 /nfs/dbraw/zinc/49/22/04/943492204.db2.gz BCMTUPLKWNRJQI-GOSISDBHSA-N 2 0 350.384 3.786 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423367563 943493332 /nfs/dbraw/zinc/49/33/32/943493332.db2.gz CTFCPHIZHZGRGN-HNNXBMFYSA-N 2 0 352.482 3.671 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384082 943497552 /nfs/dbraw/zinc/49/75/52/943497552.db2.gz PWJPSNJNORVFJL-JEBQAFNWSA-N 2 0 367.331 3.647 20 0 FHADRP C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384084 943497737 /nfs/dbraw/zinc/49/77/37/943497737.db2.gz PWJPSNJNORVFJL-XWIAVFTESA-N 2 0 367.331 3.647 20 0 FHADRP COC[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]1 ZINC000423420453 943505247 /nfs/dbraw/zinc/50/52/47/943505247.db2.gz XEACYTAVPHAHGQ-CGTJXYLNSA-N 2 0 356.432 3.700 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)c(I)c1 ZINC000423425828 943506333 /nfs/dbraw/zinc/50/63/33/943506333.db2.gz HGTCPESYZSGLOO-WDEREUQCSA-N 2 0 364.246 3.598 20 0 FHADRP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)o1 ZINC001279109453 943506374 /nfs/dbraw/zinc/50/63/74/943506374.db2.gz QKBICALYSXYGNT-UHFFFAOYSA-N 2 0 360.498 3.687 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[NH2+]CC1 ZINC000423401046 943507096 /nfs/dbraw/zinc/50/70/96/943507096.db2.gz GAYMYXGVDZZMJI-NRFANRHFSA-N 2 0 374.475 3.854 20 0 FHADRP Clc1ccccc1C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCO1 ZINC000423402188 943507404 /nfs/dbraw/zinc/50/74/04/943507404.db2.gz WMPMEGNZFTVQCR-RTWAWAEBSA-N 2 0 356.897 3.823 20 0 FHADRP COCC1(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]CC1 ZINC000423407234 943508591 /nfs/dbraw/zinc/50/85/91/943508591.db2.gz MDGUAPDQORSMSX-NRFANRHFSA-N 2 0 365.477 3.523 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cn2)CC[NH2+]CC1 ZINC000423409534 943509319 /nfs/dbraw/zinc/50/93/19/943509319.db2.gz QHVYWUVJYNACKG-KRWDZBQOSA-N 2 0 355.482 3.541 20 0 FHADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1Br ZINC000423410115 943509800 /nfs/dbraw/zinc/50/98/00/943509800.db2.gz RHKJLOUUPRTEHK-MRXNPFEDSA-N 2 0 355.320 3.506 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H](O)c1c(F)cccc1F ZINC000237132059 943513665 /nfs/dbraw/zinc/51/36/65/943513665.db2.gz ZIWFOEOOHZWPQP-IBGZPJMESA-N 2 0 362.464 3.746 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423438252 943519893 /nfs/dbraw/zinc/51/98/93/943519893.db2.gz QZPOVBSMLZZXQC-YTQUADARSA-N 2 0 363.343 3.748 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Br)cc1Br ZINC000423459307 943522066 /nfs/dbraw/zinc/52/20/66/943522066.db2.gz RAPMFWMTNABYDJ-VHSXEESVSA-N 2 0 364.125 3.990 20 0 FHADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000515150125 943524649 /nfs/dbraw/zinc/52/46/49/943524649.db2.gz ZPAHFOXVCFTVCH-LJQANCHMSA-N 2 0 365.521 3.533 20 0 FHADRP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414746800 943525770 /nfs/dbraw/zinc/52/57/70/943525770.db2.gz MCGQKQABWKUPOP-OZVIIMIRSA-N 2 0 359.297 3.527 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000423474942 943525811 /nfs/dbraw/zinc/52/58/11/943525811.db2.gz PILKAXCCKMMCOG-ZAAXVRCTSA-N 2 0 372.484 3.887 20 0 FHADRP CC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629493 943528349 /nfs/dbraw/zinc/52/83/49/943528349.db2.gz XSYJCXXHUPFEKV-OAQYLSRUSA-N 2 0 351.494 3.903 20 0 FHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423499067 943529681 /nfs/dbraw/zinc/52/96/81/943529681.db2.gz AGFKWXDISQNQTR-QLOJAFMTSA-N 2 0 359.583 3.646 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423500195 943529941 /nfs/dbraw/zinc/52/99/41/943529941.db2.gz KELFIYJRZBFJBY-MGPUTAFESA-N 2 0 355.482 3.784 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423483811 943533163 /nfs/dbraw/zinc/53/31/63/943533163.db2.gz ZSQGZYVPNXSZJP-CDXJDZJCSA-N 2 0 372.459 3.944 20 0 FHADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423490909 943534960 /nfs/dbraw/zinc/53/49/60/943534960.db2.gz IUIWYCSAFHVSGD-SCTDSRPQSA-N 2 0 364.493 3.691 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533639 943539860 /nfs/dbraw/zinc/53/98/60/943539860.db2.gz YBUYCZVIUXPDJT-YUOBQYBGSA-N 2 0 367.581 3.640 20 0 FHADRP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523071 943545734 /nfs/dbraw/zinc/54/57/34/943545734.db2.gz VHVAPBOZCLDTAX-JFIBYHEFSA-N 2 0 368.352 3.787 20 0 FHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423523006 943545760 /nfs/dbraw/zinc/54/57/60/943545760.db2.gz VETMHMGSLAOXIG-WWPVKYPJSA-N 3 0 351.538 3.967 20 0 FHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423537710 943551111 /nfs/dbraw/zinc/55/11/11/943551111.db2.gz KRSNYZQKFMKONN-LPHOPBHVSA-N 2 0 362.489 3.734 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CCC2 ZINC000423547590 943554243 /nfs/dbraw/zinc/55/42/43/943554243.db2.gz DOUIRFFVYRWZTA-KRWDZBQOSA-N 2 0 369.578 3.881 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423548270 943554343 /nfs/dbraw/zinc/55/43/43/943554343.db2.gz MKBNGCFRIOCOBO-OVZMXSCWSA-N 2 0 353.279 3.553 20 0 FHADRP NC1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423566444 943558166 /nfs/dbraw/zinc/55/81/66/943558166.db2.gz LVGURLMGFVMHGY-JOCHJYFZSA-N 2 0 367.512 3.860 20 0 FHADRP FC(F)(F)COCCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691243 943559473 /nfs/dbraw/zinc/55/94/73/943559473.db2.gz FVMPBIJHZMZRMD-OAHLLOKOSA-N 2 0 362.461 3.661 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000423572186 943560287 /nfs/dbraw/zinc/56/02/87/943560287.db2.gz ODRKZRGWXNPRRD-KRWDZBQOSA-N 2 0 357.929 3.984 20 0 FHADRP c1c(CN2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000584782893 943602385 /nfs/dbraw/zinc/60/23/85/943602385.db2.gz VUYBVBZKFRKLKL-HSZRJFAPSA-N 2 0 373.504 3.510 20 0 FHADRP CC(C)c1ccc2c(c1)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)CCC2 ZINC000423896482 943642382 /nfs/dbraw/zinc/64/23/82/943642382.db2.gz OCESFECJGICSQI-OAQYLSRUSA-N 2 0 357.542 3.507 20 0 FHADRP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000664374350 943691558 /nfs/dbraw/zinc/69/15/58/943691558.db2.gz WIQSPEMNWJWCLZ-INIZCTEOSA-N 2 0 371.529 3.661 20 0 FHADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000584831326 943710322 /nfs/dbraw/zinc/71/03/22/943710322.db2.gz PFLGOAFYBROZDA-LJQANCHMSA-N 2 0 372.940 3.713 20 0 FHADRP CCC[NH+]1CCC(CNC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000504653918 943718393 /nfs/dbraw/zinc/71/83/93/943718393.db2.gz GYCHBMIJJGXXMZ-UHFFFAOYSA-N 2 0 357.542 3.523 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC2CC[NH+](CCC)CC2)cc1 ZINC000504631766 943721586 /nfs/dbraw/zinc/72/15/86/943721586.db2.gz ZCGQRYAZPHPBLL-UHFFFAOYSA-N 2 0 359.558 3.770 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424134854 943747661 /nfs/dbraw/zinc/74/76/61/943747661.db2.gz ODNUPRXKECTJDI-UYAOXDASSA-N 2 0 351.579 3.835 20 0 FHADRP C[NH+](C)Cc1cc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)ccc1F ZINC000424143550 943749678 /nfs/dbraw/zinc/74/96/78/943749678.db2.gz KBGSULSIGANVEM-LJQANCHMSA-N 2 0 363.521 3.581 20 0 FHADRP CN(c1ccccc1)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000435786129 943769872 /nfs/dbraw/zinc/76/98/72/943769872.db2.gz GCQXIKFPPNXOGG-UHFFFAOYSA-N 2 0 350.510 3.814 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000312555246 943789848 /nfs/dbraw/zinc/78/98/48/943789848.db2.gz XROKWBXKIUQTKH-XXBNENTESA-N 2 0 365.521 3.906 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1)C(C)C ZINC000424242091 943816849 /nfs/dbraw/zinc/81/68/49/943816849.db2.gz QOMWFKNEHPBKPE-GOSISDBHSA-N 2 0 357.542 3.521 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC000424298126 943826281 /nfs/dbraw/zinc/82/62/81/943826281.db2.gz TXXIJYBTWTVVHJ-SFHVURJKSA-N 2 0 363.505 3.756 20 0 FHADRP CCn1ccnc1CN(Cc1cccc(C2CC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000516927206 943834228 /nfs/dbraw/zinc/83/42/28/943834228.db2.gz CNPPSCZDRDUKAI-NRFANRHFSA-N 2 0 364.537 3.925 20 0 FHADRP CC(C)C1CCC([NH+]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000424307788 943853448 /nfs/dbraw/zinc/85/34/48/943853448.db2.gz YMVILVFYBJLUDJ-JGBTYHIZSA-N 2 0 361.549 3.700 20 0 FHADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491096 943856825 /nfs/dbraw/zinc/85/68/25/943856825.db2.gz GQMDRHMQGZCAEE-IRLDBZIGSA-N 2 0 371.569 3.620 20 0 FHADRP O[C@@H](Cc1ccccc1)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000425416910 943872159 /nfs/dbraw/zinc/87/21/59/943872159.db2.gz HAKLZJAKXBPPIY-QHCPKHFHSA-N 2 0 364.533 3.578 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424375882 943887109 /nfs/dbraw/zinc/88/71/09/943887109.db2.gz KJYPALSRFYFOAV-CQSZACIVSA-N 2 0 352.906 3.711 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424380145 943889487 /nfs/dbraw/zinc/88/94/87/943889487.db2.gz PMWNVWDCXDJTSK-KRWDZBQOSA-N 2 0 351.494 3.721 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417842553 943899033 /nfs/dbraw/zinc/89/90/33/943899033.db2.gz MUKNUHSMWSCXQN-NRFANRHFSA-N 2 0 374.573 3.524 20 0 FHADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414786375 943907956 /nfs/dbraw/zinc/90/79/56/943907956.db2.gz AXFNHSTZBVFCKU-IINYFYTJSA-N 2 0 365.827 3.649 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000424428880 943923138 /nfs/dbraw/zinc/92/31/38/943923138.db2.gz VHJFLYPAYMPWQB-OAQYLSRUSA-N 2 0 368.525 3.732 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CC12CCOCC2 ZINC000414789293 943931313 /nfs/dbraw/zinc/93/13/13/943931313.db2.gz NUIKCIDVYRWPRZ-MRXNPFEDSA-N 2 0 360.498 3.742 20 0 FHADRP Cc1cn2c(n1)CC[C@H]([NH2+]C1CCC([N@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676260 943932082 /nfs/dbraw/zinc/93/20/82/943932082.db2.gz FRUWXFQJJFDVBT-KBWCOIMZSA-N 2 0 352.526 3.539 20 0 FHADRP CCn1cncc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000417901452 943937426 /nfs/dbraw/zinc/93/74/26/943937426.db2.gz NRBUILBZDQPJSC-UHFFFAOYSA-N 2 0 354.542 3.728 20 0 FHADRP C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1CC[NH+](C)CC1 ZINC000651453534 943943315 /nfs/dbraw/zinc/94/33/15/943943315.db2.gz GFQNEHJIXVEQGY-ZBEGNZNMSA-N 2 0 355.295 3.895 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233790 943999237 /nfs/dbraw/zinc/99/92/37/943999237.db2.gz BGWKKLPPUCDLAW-AZUAARDMSA-N 2 0 350.547 3.506 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC000190233775 943999719 /nfs/dbraw/zinc/99/97/19/943999719.db2.gz BGWKKLPPUCDLAW-UYAOXDASSA-N 2 0 350.547 3.506 20 0 FHADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414879104 944041406 /nfs/dbraw/zinc/04/14/06/944041406.db2.gz PBGMXPVHSOZXSW-LBPRGKRZSA-N 2 0 366.292 3.930 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1 ZINC000505118935 944048909 /nfs/dbraw/zinc/04/89/09/944048909.db2.gz XOYFSQRBLWUIGQ-HRTMPFAESA-N 2 0 371.569 3.839 20 0 FHADRP CC[N@H+](C)[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1 ZINC000505118936 944049011 /nfs/dbraw/zinc/04/90/11/944049011.db2.gz XOYFSQRBLWUIGQ-LZBANZJXSA-N 2 0 371.569 3.839 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000414809085 944077131 /nfs/dbraw/zinc/07/71/31/944077131.db2.gz TXQJSRUPXFDJJX-RXVVDRJESA-N 2 0 367.493 3.555 20 0 FHADRP C[N@H+](CCC(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCCCC1 ZINC000517212829 944093566 /nfs/dbraw/zinc/09/35/66/944093566.db2.gz LTWCSGGIRRWZPQ-UHFFFAOYSA-N 2 0 357.542 3.553 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000414815359 944124729 /nfs/dbraw/zinc/12/47/29/944124729.db2.gz XIGHLZIWNUCHNM-HNNXBMFYSA-N 2 0 371.912 3.754 20 0 FHADRP CC[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)Oc1cccc(Cl)c1 ZINC000425903576 944134287 /nfs/dbraw/zinc/13/42/87/944134287.db2.gz WLVCSSRZSQIGJI-INIZCTEOSA-N 2 0 363.889 3.742 20 0 FHADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cs1 ZINC000436237486 944139896 /nfs/dbraw/zinc/13/98/96/944139896.db2.gz GQYNGRWBWOUJKK-SFHVURJKSA-N 2 0 366.534 3.792 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436293353 944179196 /nfs/dbraw/zinc/17/91/96/944179196.db2.gz MJZYSIOUEZIURE-PTUXOGIPSA-N 2 0 370.585 3.679 20 0 FHADRP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000418137519 944191297 /nfs/dbraw/zinc/19/12/97/944191297.db2.gz DZFFZOFUEJZPML-LEWJYISDSA-N 2 0 372.557 3.563 20 0 FHADRP Clc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167975167 944276086 /nfs/dbraw/zinc/27/60/86/944276086.db2.gz JZVUFWOUEVPKPP-MJLAPFRSSA-N 2 0 373.972 3.909 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414978568 944288129 /nfs/dbraw/zinc/28/81/29/944288129.db2.gz TUPSYBOIFYUTJC-HXUWFJFHSA-N 2 0 354.542 3.851 20 0 FHADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1F ZINC000436416266 944289406 /nfs/dbraw/zinc/28/94/06/944289406.db2.gz MFLBOWGSGNXCLY-UHFFFAOYSA-N 2 0 370.447 3.561 20 0 FHADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414978705 944290125 /nfs/dbraw/zinc/29/01/25/944290125.db2.gz UINOARATEZMAOP-ZDUSSCGKSA-N 2 0 363.246 3.528 20 0 FHADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000436470448 944350737 /nfs/dbraw/zinc/35/07/37/944350737.db2.gz LWVODPDPDVYRHI-GOSISDBHSA-N 2 0 361.493 3.646 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373306 944362891 /nfs/dbraw/zinc/36/28/91/944362891.db2.gz OVCMUWGIIKODHY-QGPMSJSTSA-N 2 0 358.448 3.632 20 0 FHADRP [NH3+]Cc1cc(Br)ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167975870 944374107 /nfs/dbraw/zinc/37/41/07/944374107.db2.gz YEJOUBYMPIJFHV-ALOPSCKCSA-N 2 0 364.331 3.725 20 0 FHADRP COCC1(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414983685 944380727 /nfs/dbraw/zinc/38/07/27/944380727.db2.gz ZNPYYHCPBDEUFO-UHFFFAOYSA-N 2 0 358.448 3.634 20 0 FHADRP CC1(C)C[N@H+](CCc2cn[nH]c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837952 944406085 /nfs/dbraw/zinc/40/60/85/944406085.db2.gz QGGUTCVPPAFAIZ-OAQYLSRUSA-N 2 0 352.526 3.575 20 0 FHADRP Fc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)cc1 ZINC001167978264 944441467 /nfs/dbraw/zinc/44/14/67/944441467.db2.gz NIXZFSKZMPRQLT-SEJPIABJSA-N 2 0 358.501 3.826 20 0 FHADRP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000652048263 944503412 /nfs/dbraw/zinc/50/34/12/944503412.db2.gz JHEQJEOSRNQYFX-FQEVSTJZSA-N 2 0 367.537 3.511 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981580 944504648 /nfs/dbraw/zinc/50/46/48/944504648.db2.gz BAJXGHWQTAVNEN-ZMDZVOQKSA-N 2 0 353.554 3.502 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801269 944520512 /nfs/dbraw/zinc/52/05/12/944520512.db2.gz GWXCYLNVRHPTHW-YOEHRIQHSA-N 2 0 360.420 3.626 20 0 FHADRP CC[C@@H]([NH3+])CN[C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994240 944521308 /nfs/dbraw/zinc/52/13/08/944521308.db2.gz UPAHVLWLGQELQC-MLGOLLRUSA-N 2 0 351.288 3.697 20 0 FHADRP Cc1ccc(-c2noc(CCC[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)n2)cc1F ZINC000550239616 944535402 /nfs/dbraw/zinc/53/54/02/944535402.db2.gz WZFQINVKTGWFLL-OAQYLSRUSA-N 2 0 372.488 3.534 20 0 FHADRP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414890144 944551878 /nfs/dbraw/zinc/55/18/78/944551878.db2.gz HDBINOKIENYVBS-ZDUSSCGKSA-N 2 0 365.319 3.585 20 0 FHADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCc1cccs1 ZINC000261990390 944582464 /nfs/dbraw/zinc/58/24/64/944582464.db2.gz KEFLMEBOGFDPMR-UHFFFAOYSA-N 2 0 372.534 3.911 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000517763228 944583480 /nfs/dbraw/zinc/58/34/80/944583480.db2.gz JQOFXNNFWHXZON-UHFFFAOYSA-N 2 0 373.463 3.671 20 0 FHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C12CCCC2 ZINC000608073003 944644425 /nfs/dbraw/zinc/64/44/25/944644425.db2.gz JOBCPEXNTGQUOX-YADHBBJMSA-N 2 0 372.553 3.989 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000418475338 944674810 /nfs/dbraw/zinc/67/48/10/944674810.db2.gz ZBNNQTWYIBVKHH-CMKODMSKSA-N 2 0 372.557 3.502 20 0 FHADRP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167983853 944682779 /nfs/dbraw/zinc/68/27/79/944682779.db2.gz KAWCELINXIMIFK-VNYJYPEVSA-N 2 0 353.554 3.598 20 0 FHADRP Fc1ccccc1-c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000506884032 944704373 /nfs/dbraw/zinc/70/43/73/944704373.db2.gz JNUXXGSSYJKDQM-UHFFFAOYSA-N 2 0 358.457 3.630 20 0 FHADRP C[NH+](C)CC1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000506909524 944728813 /nfs/dbraw/zinc/72/88/13/944728813.db2.gz KPNFOWZEDSHMTP-UHFFFAOYSA-N 2 0 354.542 3.943 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000506889772 944728889 /nfs/dbraw/zinc/72/88/89/944728889.db2.gz IEZRNGMWIKHEFX-UHFFFAOYSA-N 2 0 372.513 3.511 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415000662 944745070 /nfs/dbraw/zinc/74/50/70/944745070.db2.gz KJNPWUVUIGWMPC-LPHOPBHVSA-N 2 0 354.494 3.978 20 0 FHADRP OC[C@H]1C[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c2ccccc21 ZINC000364455508 944750988 /nfs/dbraw/zinc/75/09/88/944750988.db2.gz PAGTZRUFXFAJHB-JPYJTQIMSA-N 2 0 368.496 3.643 20 0 FHADRP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000473061770 944786170 /nfs/dbraw/zinc/78/61/70/944786170.db2.gz ZKOMBKLGIUZHQE-RXVVDRJESA-N 2 0 365.993 3.913 20 0 FHADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC000518806892 944788398 /nfs/dbraw/zinc/78/83/98/944788398.db2.gz YISFRAFNQODZHF-UYAOXDASSA-N 2 0 359.558 3.743 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572763 944789393 /nfs/dbraw/zinc/78/93/93/944789393.db2.gz GKYGZVWRVWOCHG-RBUKOAKNSA-N 2 0 363.571 3.654 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000516397474 944794488 /nfs/dbraw/zinc/79/44/88/944794488.db2.gz BDGJLUNZNXXHNW-LJQANCHMSA-N 2 0 357.542 3.524 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000426066450 944801734 /nfs/dbraw/zinc/80/17/34/944801734.db2.gz JXVVBMSDFDSUBU-FUHWJXTLSA-N 2 0 363.512 3.893 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000506945731 944803847 /nfs/dbraw/zinc/80/38/47/944803847.db2.gz ZGMPRMGFUVEIFJ-UHFFFAOYSA-N 2 0 356.457 3.850 20 0 FHADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)ccc21 ZINC000426083801 944862747 /nfs/dbraw/zinc/86/27/47/944862747.db2.gz IGNJPDNAEJBJKL-NRFANRHFSA-N 2 0 368.525 3.548 20 0 FHADRP Cn1ccnc1[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441675 944864178 /nfs/dbraw/zinc/86/41/78/944864178.db2.gz ACCLMNPLEAAIBJ-TZIWHRDSSA-N 2 0 352.526 3.763 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000093705199 944888732 /nfs/dbraw/zinc/88/87/32/944888732.db2.gz LGJAFPYRVAUTKP-UHFFFAOYSA-N 2 0 372.553 3.800 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)cc2)c1 ZINC000414941462 944916850 /nfs/dbraw/zinc/91/68/50/944916850.db2.gz CQOXIQIPUGFNNE-WBVHZDCISA-N 2 0 356.466 3.726 20 0 FHADRP Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000426896259 944924088 /nfs/dbraw/zinc/92/40/88/944924088.db2.gz APMJMQONPXQFEE-MRXNPFEDSA-N 2 0 359.901 3.664 20 0 FHADRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OCc1ccccc1 ZINC000414896306 944948268 /nfs/dbraw/zinc/94/82/68/944948268.db2.gz BLBXAVSODMEQEO-UHFFFAOYSA-N 2 0 354.494 3.754 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@@H](C)C1 ZINC000437089041 945008412 /nfs/dbraw/zinc/00/84/12/945008412.db2.gz ABJAAKYNYWBMKT-FPOVZHCZSA-N 2 0 361.574 3.758 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001204 945015197 /nfs/dbraw/zinc/01/51/97/945015197.db2.gz SZLWCYYAONPDCQ-BVOGOJNSSA-N 2 0 361.574 3.553 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437106114 945027540 /nfs/dbraw/zinc/02/75/40/945027540.db2.gz UUEOXFRAACTGTN-LSWJPFSZSA-N 2 0 363.549 3.795 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414955343 945044015 /nfs/dbraw/zinc/04/40/15/945044015.db2.gz UCEJMCQYAQVXTF-QAPCUYQASA-N 2 0 356.514 3.544 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCc1cccs1 ZINC000415010489 945390076 /nfs/dbraw/zinc/39/00/76/945390076.db2.gz UYFWKZIASPOCHN-WBVHZDCISA-N 2 0 360.523 3.943 20 0 FHADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427469966 945400268 /nfs/dbraw/zinc/40/02/68/945400268.db2.gz OXCGDEFGMYOBCF-TZIWHRDSSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H](CCc1ccccc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000519498367 945491095 /nfs/dbraw/zinc/49/10/95/945491095.db2.gz FJLCXKUWAIUYEC-JOCHJYFZSA-N 2 0 365.565 3.757 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415017470 945501431 /nfs/dbraw/zinc/50/14/31/945501431.db2.gz RYPGKLMUABIWCQ-SNVBAGLBSA-N 2 0 369.225 3.955 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415019832 945504219 /nfs/dbraw/zinc/50/42/19/945504219.db2.gz WOAOCSRXDBYFQC-JTQLQIEISA-N 2 0 351.235 3.658 20 0 FHADRP C[N@H+](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417516 945595777 /nfs/dbraw/zinc/59/57/77/945595777.db2.gz PCNNGOCZXNUUEV-YOFSQIOKSA-N 2 0 373.541 3.768 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000579063056 945738544 /nfs/dbraw/zinc/73/85/44/945738544.db2.gz QJWHBJHFUJBPPP-KRWDZBQOSA-N 2 0 351.485 3.696 20 0 FHADRP COC(=O)CC1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168049174 945756793 /nfs/dbraw/zinc/75/67/93/945756793.db2.gz YYFFBNIPFRFJQW-RMFSNUHRSA-N 2 0 358.526 3.703 20 0 FHADRP [NH3+]C1CCN(c2nccc(NC3c4ccccc4-c4ccccc43)n2)CC1 ZINC001167775948 945772736 /nfs/dbraw/zinc/77/27/36/945772736.db2.gz CCCOAGWUJPZGAX-UHFFFAOYSA-N 2 0 357.461 3.586 20 0 FHADRP Oc1ccc(CC[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)cc1 ZINC001280260500 945794333 /nfs/dbraw/zinc/79/43/33/945794333.db2.gz SAUDALFVZAOEBV-UHFFFAOYSA-N 2 0 356.432 3.675 20 0 FHADRP C[C@H]1CC(N2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065970 945796501 /nfs/dbraw/zinc/79/65/01/945796501.db2.gz ZJERXXVHNZHNHH-ZENYQMPMSA-N 2 0 368.443 3.832 20 0 FHADRP CC(C)(C)OC(=O)Nc1ncc(CNC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000800223540 945805196 /nfs/dbraw/zinc/80/51/96/945805196.db2.gz FXGKVKBSAKVPJW-UHFFFAOYSA-N 2 0 368.547 3.843 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000415928902 945922827 /nfs/dbraw/zinc/92/28/27/945922827.db2.gz GVOXQIUQASBTET-UTKZUKDTSA-N 2 0 368.525 3.917 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544374547 945926762 /nfs/dbraw/zinc/92/67/62/945926762.db2.gz USVYETLIZJSNTQ-YJBOKZPZSA-N 2 0 365.949 3.760 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415945883 945931881 /nfs/dbraw/zinc/93/18/81/945931881.db2.gz RYILWNWWTAFTRI-UWJYYQICSA-N 2 0 366.509 3.581 20 0 FHADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000645504389 945979659 /nfs/dbraw/zinc/97/96/59/945979659.db2.gz IYVJZUZQYYYPQC-CABCVRRESA-N 2 0 357.723 3.861 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+](CCc3ccc4ccccc4c3)CC2)CC1 ZINC000441057953 946153842 /nfs/dbraw/zinc/15/38/42/946153842.db2.gz DYUGSTDVAVPLPK-UHFFFAOYSA-N 2 0 365.565 3.873 20 0 FHADRP C[C@@H]1CC(N2CC[C@@H]([NH+]3CCCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054815 946278443 /nfs/dbraw/zinc/27/84/43/946278443.db2.gz UIQLNLHILPFKQN-KCZVDYSFSA-N 2 0 355.570 3.988 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752163 946309789 /nfs/dbraw/zinc/30/97/89/946309789.db2.gz UVEPHRFFUJBWCL-LPHOPBHVSA-N 2 0 369.509 3.953 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056013 946320112 /nfs/dbraw/zinc/32/01/12/946320112.db2.gz ZWTQOSCBSVSWOA-MHXAIHSWSA-N 2 0 365.521 3.976 20 0 FHADRP C[C@@H]1CC([N@@H+]2CC[C@H](Oc3cccnc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056014 946320388 /nfs/dbraw/zinc/32/03/88/946320388.db2.gz ZWTQOSCBSVSWOA-PWHSHALESA-N 2 0 365.521 3.976 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000549553116 946326079 /nfs/dbraw/zinc/32/60/79/946326079.db2.gz RAKMLVIRGLTYLJ-ILWGZMRPSA-N 2 0 371.569 3.639 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccccc1Oc1cccnc1 ZINC000441271548 946383753 /nfs/dbraw/zinc/38/37/53/946383753.db2.gz RBXZGZCEXGTODY-KAGYGMCKSA-N 2 0 367.493 3.557 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652148951 946386025 /nfs/dbraw/zinc/38/60/25/946386025.db2.gz MZXVQORXRLHQAI-KNQAVFIVSA-N 2 0 358.574 3.566 20 0 FHADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652155165 946402102 /nfs/dbraw/zinc/40/21/02/946402102.db2.gz YBYNFNVXXPPMNT-GOSISDBHSA-N 2 0 364.530 3.875 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000893488455 946439234 /nfs/dbraw/zinc/43/92/34/946439234.db2.gz USLZHZHDCUPRQC-KRWDZBQOSA-N 2 0 364.411 3.620 20 0 FHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652193376 946453887 /nfs/dbraw/zinc/45/38/87/946453887.db2.gz GYFSXXKMZQJQTC-SFHVURJKSA-N 2 0 362.514 3.628 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1(C)C ZINC000441350654 946502949 /nfs/dbraw/zinc/50/29/49/946502949.db2.gz CADGAOXSBCAOHJ-UHFFFAOYSA-N 2 0 361.530 3.670 20 0 FHADRP CCN(C(C)=O)C1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056998 946536715 /nfs/dbraw/zinc/53/67/15/946536715.db2.gz LIOKNOZWFFILSC-RTBURBONSA-N 2 0 371.569 3.761 20 0 FHADRP CCN(C(C)=O)C1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056996 946536971 /nfs/dbraw/zinc/53/69/71/946536971.db2.gz LIOKNOZWFFILSC-BBIADKPPSA-N 2 0 371.569 3.761 20 0 FHADRP Cc1nnc([C@@H]2CCC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058208 946606160 /nfs/dbraw/zinc/60/61/60/946606160.db2.gz PCYCNKFTBDGLDH-HRQSHJORSA-N 2 0 368.525 3.999 20 0 FHADRP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059874 946741057 /nfs/dbraw/zinc/74/10/57/946741057.db2.gz HKPMYTMAYHXNSY-BBPUYGCGSA-N 2 0 358.526 3.559 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417972070 946762744 /nfs/dbraw/zinc/76/27/44/946762744.db2.gz SLALLRXPNHDGET-UHFFFAOYSA-N 2 0 353.510 3.518 20 0 FHADRP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000550358142 946774770 /nfs/dbraw/zinc/77/47/70/946774770.db2.gz ZIMSAULFOOLRLH-UXHICEINSA-N 2 0 359.558 3.656 20 0 FHADRP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270484 946803571 /nfs/dbraw/zinc/80/35/71/946803571.db2.gz RDHHZQQCEYMNKG-YJBOKZPZSA-N 2 0 369.475 3.990 20 0 FHADRP CCNC(=O)OC1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168060754 946823679 /nfs/dbraw/zinc/82/36/79/946823679.db2.gz YAFJFIUWXHWURN-OPVJXMOQSA-N 2 0 373.541 3.639 20 0 FHADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475298306 946836412 /nfs/dbraw/zinc/83/64/12/946836412.db2.gz ZJXWFLBUDAEQTB-HXUWFJFHSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348001 946879309 /nfs/dbraw/zinc/87/93/09/946879309.db2.gz RHSXPCRUXWNICY-VUNQQRPYSA-N 2 0 354.441 3.567 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349019 946888786 /nfs/dbraw/zinc/88/87/86/946888786.db2.gz ZBEYQMFRYMOGQG-NNMXDRDESA-N 2 0 367.493 3.592 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC(n3ccnc3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168061366 946889823 /nfs/dbraw/zinc/88/98/23/946889823.db2.gz IBNWWSPKTKUBMN-HATOLVCRSA-N 2 0 352.526 3.962 20 0 FHADRP COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000475338039 946907968 /nfs/dbraw/zinc/90/79/68/946907968.db2.gz VZUJCMVLFCNMLT-NRFANRHFSA-N 2 0 364.493 3.703 20 0 FHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432247201 946928452 /nfs/dbraw/zinc/92/84/52/946928452.db2.gz QBWVKQJGRMXXTP-UHFFFAOYSA-N 2 0 350.359 3.561 20 0 FHADRP C[C@@H]1C[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062689 946984027 /nfs/dbraw/zinc/98/40/27/946984027.db2.gz LQVQSFNSGRUDEE-KOUHRCEDSA-N 2 0 352.526 3.964 20 0 FHADRP c1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2cccc(N3CC[NH2+]CC3)c12 ZINC001167995821 947038175 /nfs/dbraw/zinc/03/81/75/947038175.db2.gz QZFOQFASDUSFTN-YOFSQIOKSA-N 2 0 364.537 3.629 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC(N3CC(F)C3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063962 947044747 /nfs/dbraw/zinc/04/47/47/947044747.db2.gz OSDDSOWHJVAZLA-OPMZPASUSA-N 2 0 359.533 3.546 20 0 FHADRP c1ccc(C[N@H+]2CCC[C@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000444598512 947045377 /nfs/dbraw/zinc/04/53/77/947045377.db2.gz QSRZXLPFMBIZRL-HSZRJFAPSA-N 2 0 355.570 3.851 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192923535 947105399 /nfs/dbraw/zinc/10/53/99/947105399.db2.gz YJDBHSLVYXDJRG-NQIIRXRSSA-N 2 0 368.521 3.747 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825412141 947181485 /nfs/dbraw/zinc/18/14/85/947181485.db2.gz LWLPLLRFLMIQEX-KRWDZBQOSA-N 2 0 370.545 3.762 20 0 FHADRP Cc1nccn1CCCN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000367168351 947296933 /nfs/dbraw/zinc/29/69/33/947296933.db2.gz QCRADBXQZCMFMC-FQEVSTJZSA-N 2 0 356.420 3.976 20 0 FHADRP CC[C@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000662108782 947299393 /nfs/dbraw/zinc/29/93/93/947299393.db2.gz QFTIBCLDPLSDLA-OAQYLSRUSA-N 2 0 357.542 3.591 20 0 FHADRP COc1ccc(OC)c(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)c1 ZINC000662250250 947673040 /nfs/dbraw/zinc/67/30/40/947673040.db2.gz CDKMNLVBXNETQU-UHFFFAOYSA-N 2 0 352.478 3.514 20 0 FHADRP FC(F)(F)c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256122 947677942 /nfs/dbraw/zinc/67/79/42/947677942.db2.gz GQFWGCDLYXWPQQ-DLBZAZTESA-N 2 0 354.416 3.753 20 0 FHADRP OCCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCc2ccccc21 ZINC000662255689 947678303 /nfs/dbraw/zinc/67/83/03/947678303.db2.gz DGWVSSIILPWFQB-HSZRJFAPSA-N 2 0 350.506 3.594 20 0 FHADRP c1ccc(C[N@@H+](CCc2nsc3ccccc23)[C@H]2CCC[NH2+]CC2)nc1 ZINC000662263796 947682454 /nfs/dbraw/zinc/68/24/54/947682454.db2.gz NEMDILMKIOVYHR-SFHVURJKSA-N 2 0 366.534 3.878 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265088 947684392 /nfs/dbraw/zinc/68/43/92/947684392.db2.gz WATJTVDBSVTNQF-WMZOPIPTSA-N 2 0 371.550 3.941 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662279583 947701515 /nfs/dbraw/zinc/70/15/15/947701515.db2.gz AFVMKLASGOISRF-ROUUACIJSA-N 2 0 354.947 3.650 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285146 947703791 /nfs/dbraw/zinc/70/37/91/947703791.db2.gz YBIOIWUZGBOZSB-BPQIPLTHSA-N 2 0 354.947 3.793 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285149 947703902 /nfs/dbraw/zinc/70/39/02/947703902.db2.gz YBIOIWUZGBOZSB-NXHRZFHOSA-N 2 0 354.947 3.793 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291641 947713378 /nfs/dbraw/zinc/71/33/78/947713378.db2.gz WHMPPEUKBVLRNG-UWJYYQICSA-N 2 0 371.569 3.850 20 0 FHADRP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294081 947715940 /nfs/dbraw/zinc/71/59/40/947715940.db2.gz OWGMXOVWCGXXFH-QAPCUYQASA-N 2 0 370.497 3.518 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)n1 ZINC000662296104 947721056 /nfs/dbraw/zinc/72/10/56/947721056.db2.gz XUQIVZPOQCMQMT-OAQYLSRUSA-N 2 0 352.526 3.701 20 0 FHADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295759 947722634 /nfs/dbraw/zinc/72/26/34/947722634.db2.gz SQHVAUCVSFNTFZ-SFHVURJKSA-N 2 0 357.542 3.634 20 0 FHADRP Clc1cc(Br)cnc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662296373 947723013 /nfs/dbraw/zinc/72/30/13/947723013.db2.gz YZPHACUIIGMVMP-ZDUSSCGKSA-N 2 0 372.738 3.709 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306297 947732757 /nfs/dbraw/zinc/73/27/57/947732757.db2.gz QDTNRGDHTKDJIJ-PXNSSMCTSA-N 2 0 358.457 3.722 20 0 FHADRP C[C@H](c1ccccc1F)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326979 947747630 /nfs/dbraw/zinc/74/76/30/947747630.db2.gz BXUGFODVXGIRSG-OAHLLOKOSA-N 2 0 356.489 3.956 20 0 FHADRP CO[C@H](C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C1CCCCC1 ZINC000662327130 947751128 /nfs/dbraw/zinc/75/11/28/947751128.db2.gz KCEFRHGDXJWRHB-JOCHJYFZSA-N 2 0 374.573 3.651 20 0 FHADRP c1cc(CCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cs1 ZINC000662327109 947758351 /nfs/dbraw/zinc/75/83/51/947758351.db2.gz JNQZBDFKBZSQCN-UHFFFAOYSA-N 2 0 358.555 3.750 20 0 FHADRP Cc1ccc(F)cc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328229 947758541 /nfs/dbraw/zinc/75/85/41/947758541.db2.gz ZTYGBWJLZWOHIV-UHFFFAOYSA-N 2 0 356.489 3.704 20 0 FHADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000662400330 947778358 /nfs/dbraw/zinc/77/83/58/947778358.db2.gz RYIMRMKTMLJPMB-UHFFFAOYSA-N 2 0 369.534 3.675 20 0 FHADRP c1ccc(C[N@H+]2CC[C@@H](NC[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805384 /nfs/dbraw/zinc/80/53/84/947805384.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 2 0 367.581 3.895 20 0 FHADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344076 947807530 /nfs/dbraw/zinc/80/75/30/947807530.db2.gz NKSYXJYBUCOQIQ-OIBXWCBGSA-N 2 0 355.570 3.751 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)c2cccc3c2C[NH2+]C3)CCCC1)c1ccccc1 ZINC000662452734 947823255 /nfs/dbraw/zinc/82/32/55/947823255.db2.gz WHSPNSQOOMKAAK-KRWDZBQOSA-N 2 0 363.505 3.683 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663357897 947841230 /nfs/dbraw/zinc/84/12/30/947841230.db2.gz YUTLHKUHAFLCPX-UHFFFAOYSA-N 2 0 353.510 3.671 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)c3cccc4c3C[NH2+]C4)c2)CC1 ZINC000662511268 947880866 /nfs/dbraw/zinc/88/08/66/947880866.db2.gz QTXOOCLVPNDSLA-UHFFFAOYSA-N 2 0 363.505 3.817 20 0 FHADRP COc1cc2cc[nH+]c(N3CCC(C[NH+]4CCCC4)CC3)c2cc1OC ZINC000663396306 947951867 /nfs/dbraw/zinc/95/18/67/947951867.db2.gz GGHSFOPWWAORQP-UHFFFAOYSA-N 2 0 355.482 3.564 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467070 948056765 /nfs/dbraw/zinc/05/67/65/948056765.db2.gz CTEFGUVHFKUCAO-PTUXOGIPSA-N 2 0 355.570 3.609 20 0 FHADRP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168001344 948063271 /nfs/dbraw/zinc/06/32/71/948063271.db2.gz ASAUQVQKDFXVIM-CCDCCJRHSA-N 2 0 374.569 3.837 20 0 FHADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663472234 948068243 /nfs/dbraw/zinc/06/82/43/948068243.db2.gz ZXUSFJDOLUVBMJ-FXAWDEMLSA-N 2 0 357.542 3.732 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000166009689 948086394 /nfs/dbraw/zinc/08/63/94/948086394.db2.gz PWBDDXKMTDWOAI-PBHICJAKSA-N 2 0 362.543 3.521 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823546 948100464 /nfs/dbraw/zinc/10/04/64/948100464.db2.gz DIEHFINRDBBMTD-OFNKIYASSA-N 2 0 371.569 3.934 20 0 FHADRP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167824722 948112553 /nfs/dbraw/zinc/11/25/53/948112553.db2.gz FYNACJUCYUTTLM-MSOLQXFVSA-N 2 0 355.567 3.828 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000663505296 948121445 /nfs/dbraw/zinc/12/14/45/948121445.db2.gz HCEBINPPMYCGOA-LEWJYISDSA-N 2 0 363.590 3.706 20 0 FHADRP CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000520495001 948124015 /nfs/dbraw/zinc/12/40/15/948124015.db2.gz DPPDLXJEQQZWRN-JOCHJYFZSA-N 2 0 371.569 3.799 20 0 FHADRP CC1CC[NH+](CCC[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccc(F)cc2)CC1 ZINC000643538267 948197125 /nfs/dbraw/zinc/19/71/25/948197125.db2.gz CVEDVVVECAYDCW-PCCBWWKXSA-N 2 0 365.512 3.669 20 0 FHADRP COc1c(F)cccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001143528495 948208975 /nfs/dbraw/zinc/20/89/75/948208975.db2.gz DPDDGHZLISFBBM-UHFFFAOYSA-N 2 0 358.457 3.915 20 0 FHADRP Cc1ccnc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168002395 948234083 /nfs/dbraw/zinc/23/40/83/948234083.db2.gz QUDFOFVQURDXQS-JKWVGCSGSA-N 2 0 355.526 3.639 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167833867 948238815 /nfs/dbraw/zinc/23/88/15/948238815.db2.gz FHEKKPMKWRUSMK-SQNIBIBYSA-N 2 0 355.567 3.827 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001167833924 948242464 /nfs/dbraw/zinc/24/24/64/948242464.db2.gz FWYMPXAUZIOIBS-QGZVFWFLSA-N 2 0 363.521 3.530 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001167835725 948298908 /nfs/dbraw/zinc/29/89/08/948298908.db2.gz UGTUILAJXCCHQU-SFHVURJKSA-N 2 0 357.542 3.617 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167836561 948307005 /nfs/dbraw/zinc/30/70/05/948307005.db2.gz FHEKKPMKWRUSMK-OKZBNKHCSA-N 2 0 355.567 3.827 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001167839550 948314557 /nfs/dbraw/zinc/31/45/57/948314557.db2.gz ZYPAMRMZLMXOSN-GBESFXJTSA-N 2 0 367.578 3.686 20 0 FHADRP Cc1sc(CC[NH2+]Cc2ncc(CN(C)C)s2)nc1-c1ccccc1 ZINC000512054154 948318248 /nfs/dbraw/zinc/31/82/48/948318248.db2.gz VEBSYTAYKYEQFC-UHFFFAOYSA-N 2 0 372.563 3.969 20 0 FHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409732 948352730 /nfs/dbraw/zinc/35/27/30/948352730.db2.gz IMBZIFBKHKNWRW-HOTGVXAUSA-N 2 0 374.447 3.779 20 0 FHADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166851133 948355332 /nfs/dbraw/zinc/35/53/32/948355332.db2.gz JCQKMWRTTVWRIJ-QZNHQXDQSA-N 2 0 366.505 3.515 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2)C1 ZINC001167842024 948374052 /nfs/dbraw/zinc/37/40/52/948374052.db2.gz VZYLLWJLPDPYBS-AHRSYUTCSA-N 2 0 364.505 3.525 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167842482 948385333 /nfs/dbraw/zinc/38/53/33/948385333.db2.gz XYZUULAUCVITCR-BZSNNMDCSA-N 2 0 355.567 3.827 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001167842408 948388336 /nfs/dbraw/zinc/38/83/36/948388336.db2.gz WYICSCVBDRJIFE-IRLDBZIGSA-N 2 0 361.574 3.502 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842896 948396885 /nfs/dbraw/zinc/39/68/85/948396885.db2.gz ZOWWKFLRYFFTIZ-VGSWGCGISA-N 2 0 358.526 3.838 20 0 FHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427533 948397455 /nfs/dbraw/zinc/39/74/55/948397455.db2.gz ZFTFBEWMFWJGEF-MAUKXSAKSA-N 2 0 356.457 3.830 20 0 FHADRP COc1cccc(CC[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168005098 948456409 /nfs/dbraw/zinc/45/64/09/948456409.db2.gz FSJWLFGFBDZRLQ-ROUUACIJSA-N 2 0 353.510 3.664 20 0 FHADRP Brc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000038018421 948461356 /nfs/dbraw/zinc/46/13/56/948461356.db2.gz YXMFLUXBYSIYJL-UHFFFAOYSA-N 2 0 352.301 3.664 20 0 FHADRP CCC(CC)(CNC(=O)CCC1CC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000236830828 948627369 /nfs/dbraw/zinc/62/73/69/948627369.db2.gz PZSKCDJEMZVBFX-GOSISDBHSA-N 2 0 359.558 3.792 20 0 FHADRP COc1ccc2oc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000512176063 948656741 /nfs/dbraw/zinc/65/67/41/948656741.db2.gz AYTJPCUBYKVPIB-IRXDYDNUSA-N 2 0 372.509 3.763 20 0 FHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2csc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000067452529 948763386 /nfs/dbraw/zinc/76/33/86/948763386.db2.gz RFXJNRPFCNVLNB-GJZGRUSLSA-N 2 0 365.568 3.851 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000110437561 209322948 /nfs/dbraw/zinc/32/29/48/209322948.db2.gz BZWKNYMEXKUHBB-IRXDYDNUSA-N 2 0 366.933 3.540 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000186999556 568047999 /nfs/dbraw/zinc/04/79/99/568047999.db2.gz XZCMPSNGWNEYTN-HXUWFJFHSA-N 2 0 361.599 3.848 20 0 FHADRP Cc1cc(-n2ccnc2)ccc1CN1CCC[C@@H]1c1nncn1CC(C)C ZINC000365234557 568345140 /nfs/dbraw/zinc/34/51/40/568345140.db2.gz OIHFMBAKYHVJES-HXUWFJFHSA-N 2 0 364.497 3.765 20 0 FHADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000319764725 568504879 /nfs/dbraw/zinc/50/48/79/568504879.db2.gz ZBRPPSUAZHOCHY-KRWDZBQOSA-N 2 0 367.331 3.984 20 0 FHADRP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050030005 568664290 /nfs/dbraw/zinc/66/42/90/568664290.db2.gz MYNKEPDCXZKQCC-HXUWFJFHSA-N 2 0 351.494 3.599 20 0 FHADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000736197997 599338159 /nfs/dbraw/zinc/33/81/59/599338159.db2.gz OXYWQUHDLDCVPE-MSOLQXFVSA-N 2 0 368.529 3.516 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820698325 607086934 /nfs/dbraw/zinc/08/69/34/607086934.db2.gz STYYCMOLWTZXMN-GQIGUUNPSA-N 2 0 368.529 3.560 20 0 FHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435384 608550820 /nfs/dbraw/zinc/55/08/20/608550820.db2.gz WNZHKMUXGUTXSM-MRXNPFEDSA-N 2 0 364.497 3.511 20 0 FHADRP Cc1c[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001164836998 720717278 /nfs/dbraw/zinc/71/72/78/720717278.db2.gz CPEVTTFQELDBRT-NRFANRHFSA-N 2 0 365.521 3.958 20 0 FHADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC3(C2)CC[NH+](CC2CC2)C3)nc1 ZINC001164775223 721302271 /nfs/dbraw/zinc/30/22/71/721302271.db2.gz TWARIFQWQBMZEP-NRFANRHFSA-N 2 0 368.569 3.941 20 0 FHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC3(C2)CC[NH+](CC2CC2)C3)nc1 ZINC001164775225 721302630 /nfs/dbraw/zinc/30/26/30/721302630.db2.gz TWARIFQWQBMZEP-OAQYLSRUSA-N 2 0 368.569 3.941 20 0 FHADRP Cc1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]c1C ZINC001164791341 721494029 /nfs/dbraw/zinc/49/40/29/721494029.db2.gz AWORYOGISSLQBN-UHFFFAOYSA-N 2 0 350.510 3.974 20 0 FHADRP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026122 721811268 /nfs/dbraw/zinc/81/12/68/721811268.db2.gz PGAAMVMZFWNBRV-WMQCIHAUSA-N 2 0 366.509 3.612 20 0 FHADRP Cc1cc2[nH]ccc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164952118 722018993 /nfs/dbraw/zinc/01/89/93/722018993.db2.gz HLCOJQQQJJUACV-UHFFFAOYSA-N 2 0 361.493 3.759 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000643345574 936321916 /nfs/dbraw/zinc/32/19/16/936321916.db2.gz TXLLSCJOXNXVQD-HNNXBMFYSA-N 2 0 367.940 3.558 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CN1Cc1ccccc1 ZINC000583051164 937080277 /nfs/dbraw/zinc/08/02/77/937080277.db2.gz CIRAEOPLXKDZIB-WMZHIEFXSA-N 2 0 360.505 3.684 20 0 FHADRP Cc1ccc([C@H](C)C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000628198718 937078626 /nfs/dbraw/zinc/07/86/26/937078626.db2.gz IVSDALIWOCKGQR-OFNKIYASSA-N 2 0 351.538 3.677 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000458381936 937113961 /nfs/dbraw/zinc/11/39/61/937113961.db2.gz XFBRYLPLIOLFKY-QGZVFWFLSA-N 2 0 362.562 3.535 20 0 FHADRP CCCN(CC[NH+]1CCCC1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000583111551 937128794 /nfs/dbraw/zinc/12/87/94/937128794.db2.gz YPYPEMAPCDYVEC-UHFFFAOYSA-N 2 0 372.601 3.525 20 0 FHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579704437 927149106 /nfs/dbraw/zinc/14/91/06/927149106.db2.gz AZAGBFYHDPGEAE-CTNGQTDRSA-N 2 0 371.569 3.683 20 0 FHADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000583135046 937156969 /nfs/dbraw/zinc/15/69/69/937156969.db2.gz JMIHWKQVNLEDME-ROUUACIJSA-N 2 0 358.448 3.899 20 0 FHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654858082 927434147 /nfs/dbraw/zinc/43/41/47/927434147.db2.gz ZHYCPLNAIAKPCH-HXUWFJFHSA-N 2 0 351.494 3.517 20 0 FHADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000144509623 927489279 /nfs/dbraw/zinc/48/92/79/927489279.db2.gz HCQDDBWFLZMTTQ-UHFFFAOYSA-N 2 0 357.929 3.734 20 0 FHADRP CC[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072559 927674242 /nfs/dbraw/zinc/67/42/42/927674242.db2.gz PTOSWPLHVBREOT-CEWLAPEOSA-N 2 0 359.558 3.524 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000544837269 927982026 /nfs/dbraw/zinc/98/20/26/927982026.db2.gz MGIJHAKLYYMCJF-OAQYLSRUSA-N 2 0 359.558 3.658 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CC1 ZINC000430244414 928459755 /nfs/dbraw/zinc/45/97/55/928459755.db2.gz XPUOFRAFIXFKEV-UHFFFAOYSA-N 2 0 355.570 3.556 20 0 FHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000579868361 928914946 /nfs/dbraw/zinc/91/49/46/928914946.db2.gz JRKSIXRQZRMVFM-VXKWHMMOSA-N 2 0 372.553 3.987 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154543207 928917438 /nfs/dbraw/zinc/91/74/38/928917438.db2.gz DTQILGJDOYZYSI-INIZCTEOSA-N 2 0 373.463 3.654 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442489 929165741 /nfs/dbraw/zinc/16/57/41/929165741.db2.gz RDHPSMOANRFAGR-SIKLNZKXSA-N 2 0 355.526 3.779 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000647283531 937308271 /nfs/dbraw/zinc/30/82/71/937308271.db2.gz CXFFUQWRHVFWHV-QHCPKHFHSA-N 2 0 366.553 3.706 20 0 FHADRP Cc1ccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438997 929510367 /nfs/dbraw/zinc/51/03/67/929510367.db2.gz GQYVAGYZXXFCMW-REWPJTCUSA-N 2 0 351.538 3.558 20 0 FHADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180439071 929511170 /nfs/dbraw/zinc/51/11/70/929511170.db2.gz JASIXUZXQAFFHJ-GCJKJVERSA-N 2 0 371.956 3.903 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000180644132 929609083 /nfs/dbraw/zinc/60/90/83/929609083.db2.gz FSUWHPBCIIDIFZ-JTHBVZDNSA-N 2 0 350.506 3.811 20 0 FHADRP Cc1ccc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180712163 929625659 /nfs/dbraw/zinc/62/56/59/929625659.db2.gz DDTLJRUABGKUFL-QHCPKHFHSA-N 2 0 351.538 3.700 20 0 FHADRP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583321999 937349252 /nfs/dbraw/zinc/34/92/52/937349252.db2.gz OSVQMZJZBDKWOS-HUUCEWRRSA-N 2 0 374.326 3.819 20 0 FHADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)CC2)C1 ZINC000651966528 929727779 /nfs/dbraw/zinc/72/77/79/929727779.db2.gz OXQQURKTROVXLU-XGARDCMYSA-N 2 0 357.542 3.934 20 0 FHADRP CCc1csc(CC2CC[NH+](C[C@@H](C[NH3+])c3ccc(OC)cc3)CC2)n1 ZINC000655945707 929772526 /nfs/dbraw/zinc/77/25/26/929772526.db2.gz FMZBPBZFZYEFBB-GOSISDBHSA-N 2 0 373.566 3.711 20 0 FHADRP CCc1csc(CC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC000655948384 929780138 /nfs/dbraw/zinc/78/01/38/929780138.db2.gz ZAMLPBMQSFLBAN-UHFFFAOYSA-N 2 0 355.551 3.806 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2Cc4ccccc4C2)C3)cc1 ZINC000683690410 929804537 /nfs/dbraw/zinc/80/45/37/929804537.db2.gz JWIDTRDSWPWNTD-JOZNFPNDSA-N 2 0 361.533 3.787 20 0 FHADRP C[C@H](C[NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000580120287 930269559 /nfs/dbraw/zinc/26/95/59/930269559.db2.gz YAXGHOYAZCFYGH-MRXNPFEDSA-N 2 0 361.917 3.959 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000312735751 930367247 /nfs/dbraw/zinc/36/72/47/930367247.db2.gz WWPCZDUQWIPEEY-XMMPIXPASA-N 2 0 363.549 3.558 20 0 FHADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000275809202 930394510 /nfs/dbraw/zinc/39/45/10/930394510.db2.gz DTHJOTDQGGNBPX-FQEVSTJZSA-N 2 0 355.530 3.570 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314539 930486058 /nfs/dbraw/zinc/48/60/58/930486058.db2.gz YHEMYLBEWZVHLL-QFBILLFUSA-N 2 0 372.475 3.711 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000580454441 930692869 /nfs/dbraw/zinc/69/28/69/930692869.db2.gz KAVXKHRRVPVNDO-HXUWFJFHSA-N 2 0 352.563 3.549 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000047978740 930975016 /nfs/dbraw/zinc/97/50/16/930975016.db2.gz DGAYKIUHCPPGNB-UHFFFAOYSA-N 2 0 369.912 3.862 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1)C1CC[NH+](C)CC1 ZINC000656272528 931025494 /nfs/dbraw/zinc/02/54/94/931025494.db2.gz WSMFAULCKWRNHF-QFIPXVFZSA-N 2 0 371.569 3.751 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000580856428 931268714 /nfs/dbraw/zinc/26/87/14/931268714.db2.gz LQHMZAJILIIKOY-IBGZPJMESA-N 2 0 359.901 3.843 20 0 FHADRP CO[C@@H]1CCC[NH+](C[C@@H](C[N@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582239 931567230 /nfs/dbraw/zinc/56/72/30/931567230.db2.gz FOYGYUDYXIWKPS-NUNAXRQHSA-N 2 0 374.569 3.772 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405642 931602085 /nfs/dbraw/zinc/60/20/85/931602085.db2.gz JZLCAIPOVXODAE-KCSJKLDESA-N 2 0 354.538 3.646 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367757 931655721 /nfs/dbraw/zinc/65/57/21/931655721.db2.gz TVTJBMQTMAGZTH-SJLPKXTDSA-N 2 0 351.560 3.512 20 0 FHADRP CSC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000581246349 931732785 /nfs/dbraw/zinc/73/27/85/931732785.db2.gz REMWAHKTKZETOG-NRFANRHFSA-N 2 0 370.562 3.763 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581255464 931743203 /nfs/dbraw/zinc/74/32/03/931743203.db2.gz IOWMMLIQECQZOG-IAGOWNOFSA-N 2 0 365.587 3.504 20 0 FHADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548157746 931749386 /nfs/dbraw/zinc/74/93/86/931749386.db2.gz SPHIIXRZLSAPHP-CEWLAPEOSA-N 2 0 356.510 3.727 20 0 FHADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1)C1CCC1 ZINC000581304556 931808078 /nfs/dbraw/zinc/80/80/78/931808078.db2.gz LNZHMQNJYLVNCL-PCCBWWKXSA-N 2 0 355.526 3.826 20 0 FHADRP c1ccc(COc2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)nc1 ZINC000656478151 931839592 /nfs/dbraw/zinc/83/95/92/931839592.db2.gz LVHXXBGJJUFIEI-UHFFFAOYSA-N 2 0 374.488 3.814 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000581336823 931852890 /nfs/dbraw/zinc/85/28/90/931852890.db2.gz HNKKQDCLOBGONQ-UDJZJCJKSA-N 2 0 372.459 3.567 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576137 931934652 /nfs/dbraw/zinc/93/46/52/931934652.db2.gz RQZVGGMOPUNIAJ-DSKINZAPSA-N 2 0 371.569 3.707 20 0 FHADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000430588620 931970242 /nfs/dbraw/zinc/97/02/42/931970242.db2.gz FKZANPJZVPJPTH-UHFFFAOYSA-N 2 0 372.484 3.735 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598003 932028995 /nfs/dbraw/zinc/02/89/95/932028995.db2.gz NDUOBTQDLCPJIY-OCCSQVGLSA-N 2 0 364.287 3.663 20 0 FHADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581458115 932091139 /nfs/dbraw/zinc/09/11/39/932091139.db2.gz BUFMTWWHFJHMHJ-TZIWHRDSSA-N 2 0 352.526 3.689 20 0 FHADRP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000317563839 932124017 /nfs/dbraw/zinc/12/40/17/932124017.db2.gz VNUYYKICLNHEIL-GJZGRUSLSA-N 2 0 360.299 3.714 20 0 FHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000581516070 932192729 /nfs/dbraw/zinc/19/27/29/932192729.db2.gz VBJVKAKDAUBZPI-UHFFFAOYSA-N 2 0 361.917 3.669 20 0 FHADRP C[C@@H](CC[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1)CC(C)(C)C ZINC001279507347 932310554 /nfs/dbraw/zinc/31/05/54/932310554.db2.gz WDLBNPRAAFEHIH-IBGZPJMESA-N 2 0 365.606 3.715 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783320 932410967 /nfs/dbraw/zinc/41/09/67/932410967.db2.gz PAYQBYMKHBCIIJ-NRFANRHFSA-N 2 0 365.521 3.969 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786269 932418600 /nfs/dbraw/zinc/41/86/00/932418600.db2.gz RDXDTYYQCYDCEJ-QFIPXVFZSA-N 2 0 366.553 3.760 20 0 FHADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784592 932419053 /nfs/dbraw/zinc/41/90/53/932419053.db2.gz FWHMEOIEGZTOHK-HNNXBMFYSA-N 2 0 354.441 3.508 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784502 932419181 /nfs/dbraw/zinc/41/91/81/932419181.db2.gz BIUZOXDLWRPPLD-OAQYLSRUSA-N 2 0 365.521 3.969 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000656784526 932419231 /nfs/dbraw/zinc/41/92/31/932419231.db2.gz DRKUHQXYRHLURB-OAHLLOKOSA-N 2 0 352.906 3.569 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1OC ZINC000656784522 932419269 /nfs/dbraw/zinc/41/92/69/932419269.db2.gz DRKUHQXYRHLURB-HNNXBMFYSA-N 2 0 352.906 3.569 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(SC)cc1OC ZINC000656784410 932419279 /nfs/dbraw/zinc/41/92/79/932419279.db2.gz DBLUVYQKXIXQHQ-MRXNPFEDSA-N 2 0 364.555 3.637 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC000656783858 932419740 /nfs/dbraw/zinc/41/97/40/932419740.db2.gz VLVAUYNMXLRWHP-LJQANCHMSA-N 2 0 352.526 3.607 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC(F)F ZINC000656786914 932425871 /nfs/dbraw/zinc/42/58/71/932425871.db2.gz XPWIRWZUBCZDLA-MRXNPFEDSA-N 2 0 354.441 3.508 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000581667397 932452157 /nfs/dbraw/zinc/45/21/57/932452157.db2.gz NYARFCMNPDZKED-KRWDZBQOSA-N 2 0 367.493 3.737 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684377364 932476286 /nfs/dbraw/zinc/47/62/86/932476286.db2.gz KZOHDIZXCAWLCJ-WDSOQIARSA-N 2 0 363.521 3.576 20 0 FHADRP Cc1nccn1CCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647172622 932495776 /nfs/dbraw/zinc/49/57/76/932495776.db2.gz ASBZQULWOWLFSA-UHFFFAOYSA-N 2 0 374.229 3.735 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C1 ZINC000155769984 932614502 /nfs/dbraw/zinc/61/45/02/932614502.db2.gz RUKZWNCMLHNXFP-KRWDZBQOSA-N 2 0 365.512 3.738 20 0 FHADRP CSC1(C[NH2+][C@H](COCc2ccccc2)C(C)C)CC[NH+](C)CC1 ZINC000581913887 933013167 /nfs/dbraw/zinc/01/31/67/933013167.db2.gz DNMISFZHBFCDDJ-LJQANCHMSA-N 2 0 350.572 3.645 20 0 FHADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829931 933072892 /nfs/dbraw/zinc/07/28/92/933072892.db2.gz GVBXGGMBGORFHQ-MSOLQXFVSA-N 2 0 358.448 3.628 20 0 FHADRP Cc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835800 933087906 /nfs/dbraw/zinc/08/79/06/933087906.db2.gz QKWHZQKRNFHUKH-RBBKRZOGSA-N 2 0 365.521 3.606 20 0 FHADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000581941735 933090204 /nfs/dbraw/zinc/09/02/04/933090204.db2.gz BKVUDVBSMZTHPW-DFQSSKMNSA-N 2 0 359.558 3.522 20 0 FHADRP Cn1nccc1[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000510646630 933343718 /nfs/dbraw/zinc/34/37/18/933343718.db2.gz RDHCEZRXKIGMQY-FQEVSTJZSA-N 2 0 354.542 3.758 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430898083 933389159 /nfs/dbraw/zinc/38/91/59/933389159.db2.gz UPJPUZWGKZTXTL-JOCHJYFZSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510674982 933398063 /nfs/dbraw/zinc/39/80/63/933398063.db2.gz LMGSLRXVWKAVTQ-YESZJQIVSA-N 2 0 354.485 3.765 20 0 FHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000510693594 933430027 /nfs/dbraw/zinc/43/00/27/933430027.db2.gz CASHWVSAQAVDNU-INIZCTEOSA-N 2 0 358.448 3.729 20 0 FHADRP Cc1cccc([C@H](C)[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000159339317 933553454 /nfs/dbraw/zinc/55/34/54/933553454.db2.gz KKYLZWLAEZKPJT-FQEVSTJZSA-N 2 0 371.569 3.760 20 0 FHADRP Cc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000159339215 933553606 /nfs/dbraw/zinc/55/36/06/933553606.db2.gz KKYLZWLAEZKPJT-HXUWFJFHSA-N 2 0 371.569 3.760 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952017 933561350 /nfs/dbraw/zinc/56/13/50/933561350.db2.gz UJZYTPJIBXAOCH-CZUORRHYSA-N 2 0 370.324 3.786 20 0 FHADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000562986335 933603155 /nfs/dbraw/zinc/60/31/55/933603155.db2.gz AKQQYYGKARWYMU-QZTJIDSGSA-N 2 0 368.949 3.632 20 0 FHADRP Clc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000431036132 933712943 /nfs/dbraw/zinc/71/29/43/933712943.db2.gz HLZNLXVHZSBBLN-UHFFFAOYSA-N 2 0 373.722 3.557 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)cc1 ZINC000510839814 933837113 /nfs/dbraw/zinc/83/71/13/933837113.db2.gz XXDJLNPECOUQTK-RBUKOAKNSA-N 2 0 359.558 3.911 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000510868278 933903201 /nfs/dbraw/zinc/90/32/01/933903201.db2.gz KPNZMXORPLEFAN-KDURUIRLSA-N 2 0 371.569 3.769 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000132333064 934040550 /nfs/dbraw/zinc/04/05/50/934040550.db2.gz HRMXPBZJQARJDC-KDOFPFPSSA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000132331975 934040813 /nfs/dbraw/zinc/04/08/13/934040813.db2.gz NTZDBSCMKGMYPM-QAPCUYQASA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000132332875 934040829 /nfs/dbraw/zinc/04/08/29/934040829.db2.gz HRMXPBZJQARJDC-RDTXWAMCSA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000132417698 934051933 /nfs/dbraw/zinc/05/19/33/934051933.db2.gz LLZLCRTYIJLHJL-WMLDXEAASA-N 2 0 358.357 3.916 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960859 934227948 /nfs/dbraw/zinc/22/79/48/934227948.db2.gz KSCCOCAEHPGKLK-RDTXWAMCSA-N 2 0 367.331 3.527 20 0 FHADRP CCOC(=O)CCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535682679 934274267 /nfs/dbraw/zinc/27/42/67/934274267.db2.gz ZXSCKMFJTYZREC-UHFFFAOYSA-N 2 0 358.526 3.708 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000458157473 934337620 /nfs/dbraw/zinc/33/76/20/934337620.db2.gz VBPRXGTYDKTEID-HXUWFJFHSA-N 2 0 374.573 3.552 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458204368 934374771 /nfs/dbraw/zinc/37/47/71/934374771.db2.gz XCGDUMNCSKOMBE-NRFANRHFSA-N 2 0 369.509 3.567 20 0 FHADRP O=C(c1cc2c[nH]ccc-2n1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000934011048 934424039 /nfs/dbraw/zinc/42/40/39/934424039.db2.gz IRPKIWXAEGXLDX-QHCPKHFHSA-N 2 0 374.488 3.691 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC3CCCC3)CC2)CC1 ZINC000092758937 934662758 /nfs/dbraw/zinc/66/27/58/934662758.db2.gz FLNUEYITWDZWBN-UHFFFAOYSA-N 2 0 371.569 3.752 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000236634100 934755975 /nfs/dbraw/zinc/75/59/75/934755975.db2.gz NRQDHNSBLSDFLW-UGKGYDQZSA-N 2 0 371.569 3.561 20 0 FHADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000236857188 934832033 /nfs/dbraw/zinc/83/20/33/934832033.db2.gz UMOUNOSFPYAMFL-PXNSSMCTSA-N 2 0 353.510 3.712 20 0 FHADRP CCC(CC)(CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000236857219 934832551 /nfs/dbraw/zinc/83/25/51/934832551.db2.gz UMOUNOSFPYAMFL-XLIONFOSSA-N 2 0 353.510 3.712 20 0 FHADRP CCC(CC)(CNC(=O)[C@H]([NH3+])c1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000236867497 934855645 /nfs/dbraw/zinc/85/56/45/934855645.db2.gz UMOUNOSFPYAMFL-YLJYHZDGSA-N 2 0 353.510 3.712 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892041630 934877989 /nfs/dbraw/zinc/87/79/89/934877989.db2.gz JCRBSYGGKIPAMG-MDKPJZGXSA-N 2 0 372.557 3.536 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014774 934891720 /nfs/dbraw/zinc/89/17/20/934891720.db2.gz XSDNKAMALUJUOV-PMACEKPBSA-N 2 0 371.569 3.655 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc(O)cc(F)c3)CC2)c1 ZINC000472050831 934901704 /nfs/dbraw/zinc/90/17/04/934901704.db2.gz BOSZCGNNZJVXMQ-UHFFFAOYSA-N 2 0 371.500 3.532 20 0 FHADRP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000657298071 935004289 /nfs/dbraw/zinc/00/42/89/935004289.db2.gz RJRKPIFYLZXOLQ-UHFFFAOYSA-N 2 0 361.493 3.543 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657298469 935010194 /nfs/dbraw/zinc/01/01/94/935010194.db2.gz VJGXQYTWBKQRAM-HSZRJFAPSA-N 2 0 368.521 3.986 20 0 FHADRP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000892128854 935073737 /nfs/dbraw/zinc/07/37/37/935073737.db2.gz GMGKWLOHIUUABV-HXUWFJFHSA-N 2 0 372.557 3.517 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc(F)c2OC(F)F)c1 ZINC000657315028 935144246 /nfs/dbraw/zinc/14/42/46/935144246.db2.gz GKHHOUGCYNJDNX-UHFFFAOYSA-N 2 0 368.399 3.657 20 0 FHADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824965 945080866 /nfs/dbraw/zinc/08/08/66/945080866.db2.gz ACDIUJXCTIGTPI-HXOBKFHXSA-N 2 0 366.505 3.780 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1)C1CC1 ZINC000511063862 935200191 /nfs/dbraw/zinc/20/01/91/935200191.db2.gz LWTFTKDBVQRXBD-IBGZPJMESA-N 2 0 371.550 3.765 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1NC(C)=O ZINC000157940299 935236412 /nfs/dbraw/zinc/23/64/12/935236412.db2.gz ZIIAPLSRTJGFDQ-IRXDYDNUSA-N 2 0 361.530 3.816 20 0 FHADRP Cn1ncc(C2CCC2)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000657338181 935265241 /nfs/dbraw/zinc/26/52/41/935265241.db2.gz IJAKWOKYSLFEPY-UHFFFAOYSA-N 2 0 358.555 3.751 20 0 FHADRP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185940346 935315826 /nfs/dbraw/zinc/31/58/26/935315826.db2.gz JCSPWYLVESOVDM-OXQOHEQNSA-N 2 0 354.498 3.561 20 0 FHADRP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554332 935389783 /nfs/dbraw/zinc/38/97/83/935389783.db2.gz NVBZDUAEWFQHSM-XZOQPEGZSA-N 2 0 356.554 3.916 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1NC(C)=O ZINC000158193696 935414074 /nfs/dbraw/zinc/41/40/74/935414074.db2.gz DKZDFLVJUMCLSI-KRWDZBQOSA-N 2 0 361.530 3.816 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000582241526 935448584 /nfs/dbraw/zinc/44/85/84/935448584.db2.gz WOTIOGFJMWJXBP-SJLPKXTDSA-N 2 0 370.541 3.873 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000582241527 935448816 /nfs/dbraw/zinc/44/88/16/935448816.db2.gz WOTIOGFJMWJXBP-WMZOPIPTSA-N 2 0 370.541 3.873 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548716358 935463323 /nfs/dbraw/zinc/46/33/23/935463323.db2.gz FBMDJFMMOPYCAT-KDURUIRLSA-N 2 0 351.579 3.515 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)Cc2ccccc2)cc1)C(C)C ZINC000110146463 935565402 /nfs/dbraw/zinc/56/54/02/935565402.db2.gz MUZDOUJWKPPSDU-UHFFFAOYSA-N 2 0 367.537 3.779 20 0 FHADRP CC(C)Sc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000511129069 935727483 /nfs/dbraw/zinc/72/74/83/935727483.db2.gz DBYQIZTVAMJSNA-KRWDZBQOSA-N 2 0 350.572 3.712 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000159180059 935808046 /nfs/dbraw/zinc/80/80/46/935808046.db2.gz AYBIAZWPNWCROC-HNNXBMFYSA-N 2 0 352.544 3.569 20 0 FHADRP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000511166088 935839974 /nfs/dbraw/zinc/83/99/74/935839974.db2.gz AFIPEQLXMBHSER-UHFFFAOYSA-N 2 0 352.906 3.680 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1C ZINC000413505577 935862913 /nfs/dbraw/zinc/86/29/13/935862913.db2.gz VBCQAQBQMYXMHY-RXVVDRJESA-N 2 0 357.542 3.617 20 0 FHADRP Cn1cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c(-c2cc3ccccc3o2)n1 ZINC000657525950 935954003 /nfs/dbraw/zinc/95/40/03/935954003.db2.gz YUMCCTUOSPOOSD-KRWDZBQOSA-N 2 0 352.482 3.796 20 0 FHADRP CCOC(=O)CC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000507317767 945136801 /nfs/dbraw/zinc/13/68/01/945136801.db2.gz KMNMSDVWQXUBHW-UHFFFAOYSA-N 2 0 360.542 3.810 20 0 FHADRP FC(F)(F)Oc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535544 935975779 /nfs/dbraw/zinc/97/57/79/935975779.db2.gz OYHVTPYGVAVZJH-UHFFFAOYSA-N 2 0 372.431 3.566 20 0 FHADRP C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237427311 936003820 /nfs/dbraw/zinc/00/38/20/936003820.db2.gz FXVCJVKJMRNKLZ-NPPFBWRTSA-N 2 0 365.521 3.664 20 0 FHADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000077377410 936046356 /nfs/dbraw/zinc/04/63/56/936046356.db2.gz IUYGWEOGWCTZHN-HNNXBMFYSA-N 2 0 356.432 3.811 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3C(F)(F)F)cc2)C1 ZINC000657594705 936075922 /nfs/dbraw/zinc/07/59/22/936075922.db2.gz SFOUBXZLIGMTQL-SFHVURJKSA-N 2 0 364.411 3.562 20 0 FHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596231 936076093 /nfs/dbraw/zinc/07/60/93/936076093.db2.gz MPWLQCDJIDHQBM-IERDGZPVSA-N 2 0 358.913 3.627 20 0 FHADRP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596099 936076734 /nfs/dbraw/zinc/07/67/34/936076734.db2.gz UTHICUBYIPZIIM-JOCHJYFZSA-N 2 0 352.522 3.841 20 0 FHADRP COc1cc2cccnc2c(N(c2cccc(C[NH3+])c2)[C@H](C)CCC[NH3+])c1 ZINC001167610658 936076957 /nfs/dbraw/zinc/07/69/57/936076957.db2.gz HDELGHKFNDUFNS-MRXNPFEDSA-N 2 0 364.493 3.968 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC[NH2+]CC1 ZINC000237484902 936086026 /nfs/dbraw/zinc/08/60/26/936086026.db2.gz OMNDKLQBXXCASS-IBGZPJMESA-N 2 0 371.569 3.705 20 0 FHADRP COCCC1(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000657612606 936093418 /nfs/dbraw/zinc/09/34/18/936093418.db2.gz AWQQOEXYWBPBKU-UHFFFAOYSA-N 2 0 359.558 3.870 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(COC)cs2)CC1 ZINC000657659349 936179089 /nfs/dbraw/zinc/17/90/89/936179089.db2.gz FUVYMTMEAOJJJG-UHFFFAOYSA-N 2 0 373.566 3.716 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237671615 936198043 /nfs/dbraw/zinc/19/80/43/936198043.db2.gz CIAWYZURMDEAKY-PGRDOPGGSA-N 2 0 365.521 3.625 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466910703 936208869 /nfs/dbraw/zinc/20/88/69/936208869.db2.gz WTVOLIFZLJWLRE-MRXNPFEDSA-N 2 0 368.468 3.926 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000611728278 936222932 /nfs/dbraw/zinc/22/29/32/936222932.db2.gz JXJYIRHDBMZFPI-LJQANCHMSA-N 2 0 374.573 3.592 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657678468 936231414 /nfs/dbraw/zinc/23/14/14/936231414.db2.gz QYOVTTQYTWTVCI-QFIPXVFZSA-N 2 0 355.570 3.690 20 0 FHADRP COCc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccc1OC ZINC000120945795 936274034 /nfs/dbraw/zinc/27/40/34/936274034.db2.gz NVIBXEMLLRYMED-OAHLLOKOSA-N 2 0 360.473 3.893 20 0 FHADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000150999065 938259784 /nfs/dbraw/zinc/25/97/84/938259784.db2.gz IBOZMZHPEKBIJN-SFHVURJKSA-N 2 0 368.363 3.516 20 0 FHADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000583469775 938263984 /nfs/dbraw/zinc/26/39/84/938263984.db2.gz DLMKFZUHARBFBK-FKVLARQCSA-N 2 0 372.553 3.856 20 0 FHADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000583469777 938264065 /nfs/dbraw/zinc/26/40/65/938264065.db2.gz DLMKFZUHARBFBK-QESAQDPVSA-N 2 0 372.553 3.856 20 0 FHADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000394454396 938276548 /nfs/dbraw/zinc/27/65/48/938276548.db2.gz NDQKVDDJJOIMPL-UHFFFAOYSA-N 2 0 354.494 3.595 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705820 938282944 /nfs/dbraw/zinc/28/29/44/938282944.db2.gz XHNTTWWZRHSXHT-ZHALLVOQSA-N 2 0 357.523 3.528 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3F)C2)C1 ZINC000650706164 938285307 /nfs/dbraw/zinc/28/53/07/938285307.db2.gz FNWHBSUUBGLSDM-SRCQZFHVSA-N 2 0 360.395 3.563 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709234 938290526 /nfs/dbraw/zinc/29/05/26/938290526.db2.gz LJPURPNJPFSZNB-RXVVDRJESA-N 2 0 372.944 3.762 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c(F)c1 ZINC000650718115 938307131 /nfs/dbraw/zinc/30/71/31/938307131.db2.gz YNGYIVIAUUXXNH-UHFFFAOYSA-N 2 0 361.892 3.692 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000650719307 938307230 /nfs/dbraw/zinc/30/72/30/938307230.db2.gz KXXBEHDHJTYSCC-UHFFFAOYSA-N 2 0 374.410 3.900 20 0 FHADRP COc1c(Cl)cc(Cl)cc1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722391 938309616 /nfs/dbraw/zinc/30/96/16/938309616.db2.gz RTRRKPWWEPEERZ-DJIMGWMZSA-N 2 0 373.324 3.863 20 0 FHADRP Cn1cnc2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCC4)ccc21 ZINC000657771809 938309809 /nfs/dbraw/zinc/30/98/09/938309809.db2.gz GNFAJBVCSJNEBS-NRFANRHFSA-N 2 0 374.532 3.965 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000650723177 938310221 /nfs/dbraw/zinc/31/02/21/938310221.db2.gz IKUWPFALWOJWHE-FCEUIQTBSA-N 2 0 369.484 3.749 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723251 938310411 /nfs/dbraw/zinc/31/04/11/938310411.db2.gz KIHNCRXRNMPLSM-DJIMGWMZSA-N 2 0 363.552 3.732 20 0 FHADRP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@@H+]1C1CC1 ZINC000657774502 938314092 /nfs/dbraw/zinc/31/40/92/938314092.db2.gz ZHPZQBATJJWEDP-HLAWJBBLSA-N 2 0 353.554 3.504 20 0 FHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)C1 ZINC000151096535 938351528 /nfs/dbraw/zinc/35/15/28/938351528.db2.gz IKKRTGNZBJCBMX-ROUUACIJSA-N 2 0 360.546 3.943 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000246371935 938360749 /nfs/dbraw/zinc/36/07/49/938360749.db2.gz OCJUIOKLHPWDCR-XMSQKQJNSA-N 2 0 365.521 3.625 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692863 938363377 /nfs/dbraw/zinc/36/33/77/938363377.db2.gz JYSYCSMCEYVALB-AXMKBWGCSA-N 2 0 374.594 3.853 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC2(C[NH3+])CC2)CCC3)cc1 ZINC000650744705 938368274 /nfs/dbraw/zinc/36/82/74/938368274.db2.gz UOYDQQJNSIDRQL-INIZCTEOSA-N 2 0 357.523 3.915 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000246489640 938368802 /nfs/dbraw/zinc/36/88/02/938368802.db2.gz PEIFINADZCPJLF-AABGKKOBSA-N 2 0 371.569 3.703 20 0 FHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000650746060 938375562 /nfs/dbraw/zinc/37/55/62/938375562.db2.gz VCCTXHSTPYHYTP-WBVHZDCISA-N 2 0 350.478 3.553 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)CCN1C ZINC000161877318 938402582 /nfs/dbraw/zinc/40/25/82/938402582.db2.gz MCMXBINKSQXFAZ-NJAFHUGGSA-N 2 0 353.551 3.532 20 0 FHADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000536131285 938418406 /nfs/dbraw/zinc/41/84/06/938418406.db2.gz ARNVYOXKSRKEBL-CVEARBPZSA-N 2 0 367.990 3.856 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000650758469 938424948 /nfs/dbraw/zinc/42/49/48/938424948.db2.gz QJAARCGQTODWCN-GOSISDBHSA-N 2 0 352.400 3.902 20 0 FHADRP COCCC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000650764246 938451044 /nfs/dbraw/zinc/45/10/44/938451044.db2.gz ULAQSGUZEJPGIO-GOSISDBHSA-N 2 0 369.347 3.896 20 0 FHADRP COc1ccc(Br)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812422 938512078 /nfs/dbraw/zinc/51/20/78/938512078.db2.gz BEHJQDKBXQISMB-UHFFFAOYSA-N 2 0 367.331 3.669 20 0 FHADRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1OC(F)F ZINC000657811870 938518854 /nfs/dbraw/zinc/51/88/54/938518854.db2.gz IZSBVXFRHXJRNW-UHFFFAOYSA-N 2 0 354.441 3.508 20 0 FHADRP C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccnc1Cl ZINC000132664227 938534768 /nfs/dbraw/zinc/53/47/68/938534768.db2.gz QHPLEQLZDFECCP-OAHLLOKOSA-N 2 0 359.901 3.543 20 0 FHADRP CCC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000151375962 938534787 /nfs/dbraw/zinc/53/47/87/938534787.db2.gz QRYCAWFMUYBJRV-GOSISDBHSA-N 2 0 358.448 3.983 20 0 FHADRP Fc1ccc(CCN2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000657815917 938535873 /nfs/dbraw/zinc/53/58/73/938535873.db2.gz RTVRWQHNLPGFPY-UHFFFAOYSA-N 2 0 373.560 3.544 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151392763 938538793 /nfs/dbraw/zinc/53/87/93/938538793.db2.gz FYAHCVKGJVWFDI-TZIWHRDSSA-N 2 0 362.583 3.789 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414900191 945186238 /nfs/dbraw/zinc/18/62/38/945186238.db2.gz DKMQCMQRLVVIJJ-KRWDZBQOSA-N 2 0 360.420 3.506 20 0 FHADRP OCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000647322432 938600079 /nfs/dbraw/zinc/60/00/79/938600079.db2.gz VXFZTVNPCDPOGV-DNVJHFABSA-N 2 0 350.506 3.712 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657832299 938623876 /nfs/dbraw/zinc/62/38/76/938623876.db2.gz HXCCRFRYAGONPD-SFHVURJKSA-N 2 0 371.491 3.642 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000657838614 938676314 /nfs/dbraw/zinc/67/63/14/938676314.db2.gz WQALRCPGQMTVIO-XXBNENTESA-N 2 0 374.569 3.982 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000151799906 938679236 /nfs/dbraw/zinc/67/92/36/938679236.db2.gz VRAUMKHHCPBQHT-QGZVFWFLSA-N 2 0 372.484 3.973 20 0 FHADRP C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985560 945207493 /nfs/dbraw/zinc/20/74/93/945207493.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 0 371.544 3.737 20 0 FHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Sc1ccc(Br)cc1 ZINC000089582479 938866053 /nfs/dbraw/zinc/86/60/53/938866053.db2.gz JFEVYQXEYPTOHY-IOASZLSFSA-N 2 0 357.361 3.860 20 0 FHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000090943714 938879394 /nfs/dbraw/zinc/87/93/94/938879394.db2.gz ZZAGTQHLJJJHOQ-YGRLFVJLSA-N 2 0 365.237 3.898 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091333615 938900254 /nfs/dbraw/zinc/90/02/54/938900254.db2.gz DTIDRSJKFXKRJK-LJQANCHMSA-N 2 0 369.475 3.774 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cn3)CC2)cc1 ZINC000092742923 938919301 /nfs/dbraw/zinc/91/93/01/938919301.db2.gz FBMZKGYCESVQBT-MRXNPFEDSA-N 2 0 357.473 3.792 20 0 FHADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770090 938930218 /nfs/dbraw/zinc/93/02/18/938930218.db2.gz SZOOCVAMGGRWPU-MRXNPFEDSA-N 2 0 366.431 3.665 20 0 FHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000093844445 938930704 /nfs/dbraw/zinc/93/07/04/938930704.db2.gz KWZRAZLQCRDFCN-IYBDPMFKSA-N 2 0 363.571 3.732 20 0 FHADRP C[C@@H]([NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657869414 938938381 /nfs/dbraw/zinc/93/83/81/938938381.db2.gz WACGLWQSSDONBP-UZLBHIALSA-N 2 0 374.479 3.659 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCCSCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657872571 938953303 /nfs/dbraw/zinc/95/33/03/938953303.db2.gz OCCSADQBKQWDDX-WBVHZDCISA-N 2 0 351.535 3.514 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000657878508 938966010 /nfs/dbraw/zinc/96/60/10/938966010.db2.gz KTGPDQSHJAXPRT-HSZRJFAPSA-N 2 0 374.569 3.984 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000657887864 938981924 /nfs/dbraw/zinc/98/19/24/938981924.db2.gz MUGJSXJTONDETP-PGRDOPGGSA-N 2 0 360.542 3.633 20 0 FHADRP c1cncc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000685451770 938987478 /nfs/dbraw/zinc/98/74/78/938987478.db2.gz AOZCJOZVYNIQSA-JOCHJYFZSA-N 2 0 351.494 3.893 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572100 938991988 /nfs/dbraw/zinc/99/19/88/938991988.db2.gz CTKJLKDHBQNZQX-SJLPKXTDSA-N 2 0 368.912 3.845 20 0 FHADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657936170 939009316 /nfs/dbraw/zinc/00/93/16/939009316.db2.gz DTCAKDKUCXHAEG-SFHVURJKSA-N 2 0 351.332 3.868 20 0 FHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C(F)F ZINC000657938717 939009681 /nfs/dbraw/zinc/00/96/81/939009681.db2.gz PSNKEWGURTZCKT-INIZCTEOSA-N 2 0 354.485 3.973 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1)C1CC1 ZINC000511319305 939013289 /nfs/dbraw/zinc/01/32/89/939013289.db2.gz DECHAAHVZOCYAT-UHFFFAOYSA-N 2 0 351.494 3.985 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C(C)C)cc1 ZINC000658066596 939021510 /nfs/dbraw/zinc/02/15/10/939021510.db2.gz CHBSYFOLEPQOFZ-QFIPXVFZSA-N 2 0 360.542 3.873 20 0 FHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068713 939021717 /nfs/dbraw/zinc/02/17/17/939021717.db2.gz YNRKUGODOFUFNX-OPAMFIHVSA-N 2 0 360.517 3.930 20 0 FHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071790 939021902 /nfs/dbraw/zinc/02/19/02/939021902.db2.gz ZIERWPYCENWMAF-KRWDZBQOSA-N 2 0 356.510 3.844 20 0 FHADRP Cc1ccccc1C1CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658135042 939029806 /nfs/dbraw/zinc/02/98/06/939029806.db2.gz CVSPWYSPBRIZAQ-HRTMPFAESA-N 2 0 350.506 3.597 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136420 939030123 /nfs/dbraw/zinc/03/01/23/939030123.db2.gz IIIIOQKLBXFGOG-SBUREZEXSA-N 2 0 350.506 3.981 20 0 FHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658141472 939034977 /nfs/dbraw/zinc/03/49/77/939034977.db2.gz XDNUBMYIIXJVSE-GMAHTHKFSA-N 2 0 350.506 3.729 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143176 939035954 /nfs/dbraw/zinc/03/59/54/939035954.db2.gz XHKHKROPPPOUCY-IRLDBZIGSA-N 2 0 354.494 3.503 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccccc1 ZINC000414967755 945221963 /nfs/dbraw/zinc/22/19/63/945221963.db2.gz HJMJPRUXNRCNSQ-OAQYLSRUSA-N 2 0 354.494 3.752 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3c3ccc(F)cc3)cc2)C1 ZINC000658143485 939036772 /nfs/dbraw/zinc/03/67/72/939036772.db2.gz YVNCYRIJDKEAFD-XPWALMASSA-N 2 0 368.496 3.818 20 0 FHADRP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137449 939041259 /nfs/dbraw/zinc/04/12/59/939041259.db2.gz GVCVSBPXOFDJLN-VGSWGCGISA-N 2 0 356.485 3.503 20 0 FHADRP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138637 939041769 /nfs/dbraw/zinc/04/17/69/939041769.db2.gz OELANUVPGJKZSK-DYESRHJHSA-N 2 0 364.489 3.720 20 0 FHADRP Cc1cc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139632 939042935 /nfs/dbraw/zinc/04/29/35/939042935.db2.gz QPYAVTYRELLACB-GGAORHGYSA-N 2 0 368.496 3.942 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140787 939043454 /nfs/dbraw/zinc/04/34/54/939043454.db2.gz RCDAQSVDZNVAGB-DYVFJYSZSA-N 2 0 364.411 3.521 20 0 FHADRP Fc1ccccc1C1CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658165767 939053181 /nfs/dbraw/zinc/05/31/81/939053181.db2.gz LRJXGWUWTSZPGG-UHFFFAOYSA-N 2 0 353.485 3.969 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658166166 939054191 /nfs/dbraw/zinc/05/41/91/939054191.db2.gz MVXHNCFLJCKXIO-SFHVURJKSA-N 2 0 353.510 3.523 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307995 939097635 /nfs/dbraw/zinc/09/76/35/939097635.db2.gz NVDHXVXVWAIEOJ-FPOVZHCZSA-N 2 0 371.569 3.573 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356228 939125062 /nfs/dbraw/zinc/12/50/62/939125062.db2.gz NBCJPZPACJXFTF-CVDCTZTESA-N 3 0 355.570 3.609 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132550141 939180965 /nfs/dbraw/zinc/18/09/65/939180965.db2.gz BWVCNZIWJOYPRM-MSOLQXFVSA-N 2 0 367.990 3.739 20 0 FHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507442808 945238672 /nfs/dbraw/zinc/23/86/72/945238672.db2.gz LDTXTGGPRDGGDM-ZDUSSCGKSA-N 2 0 357.311 3.841 20 0 FHADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507445451 945240471 /nfs/dbraw/zinc/24/04/71/945240471.db2.gz WFNIEQGLUDSWRL-CYBMUJFWSA-N 2 0 357.311 3.841 20 0 FHADRP c1cnn([C@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000507499284 945269286 /nfs/dbraw/zinc/26/92/86/945269286.db2.gz YIQPLLOXPVGEHP-FADBTOOJSA-N 2 0 364.537 3.867 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000507503540 945285477 /nfs/dbraw/zinc/28/54/77/945285477.db2.gz AFYSRLXOEQZOPW-KNQAVFIVSA-N 2 0 366.553 3.673 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000507511159 945290572 /nfs/dbraw/zinc/29/05/72/945290572.db2.gz NZPZCHMODKQRGH-SJLPKXTDSA-N 2 0 363.512 3.893 20 0 FHADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000375887737 940021481 /nfs/dbraw/zinc/02/14/81/940021481.db2.gz FCROODXRLUKUKV-QHCPKHFHSA-N 2 0 365.565 3.873 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000375892648 940025417 /nfs/dbraw/zinc/02/54/17/940025417.db2.gz ZDWSAAGWIFOAJY-VWPQPMDRSA-N 2 0 351.494 3.590 20 0 FHADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000519303204 945290405 /nfs/dbraw/zinc/29/04/05/945290405.db2.gz VVAZNSNTHGCYRF-NRFANRHFSA-N 2 0 354.542 3.549 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[N@@H+]1C ZINC000152030099 940043521 /nfs/dbraw/zinc/04/35/21/940043521.db2.gz BSMQJNKPEKABPM-YJBOKZPZSA-N 2 0 370.459 3.826 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1Br ZINC000569994814 940079749 /nfs/dbraw/zinc/07/97/49/940079749.db2.gz OOGYRYKJZWJSBX-MUIFIZLQSA-N 2 0 367.331 3.679 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000415009374 945301333 /nfs/dbraw/zinc/30/13/33/945301333.db2.gz TYOKMJMGRYGLJW-HNAYVOBHSA-N 2 0 359.901 3.921 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000570076765 940128338 /nfs/dbraw/zinc/12/83/38/940128338.db2.gz HVXSQEKHZLGBKD-PSWRPDDJSA-N 2 0 360.542 3.633 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(C)c3C3CC3)cc2)CC1 ZINC000892506718 940176853 /nfs/dbraw/zinc/17/68/53/940176853.db2.gz KEAKFYRIJJSPAX-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP CC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000570342435 940255601 /nfs/dbraw/zinc/25/56/01/940255601.db2.gz SHFWHFHVWKEYPZ-UHFFFAOYSA-N 2 0 366.431 3.917 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000376114718 940330906 /nfs/dbraw/zinc/33/09/06/940330906.db2.gz MMTWYQSIBNSFNW-QGUBCYKSSA-N 2 0 370.562 3.565 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000376164784 940398041 /nfs/dbraw/zinc/39/80/41/940398041.db2.gz WTZLAVBFTYCEDU-AQKFKSFVSA-N 2 0 351.494 3.989 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548979059 940412059 /nfs/dbraw/zinc/41/20/59/940412059.db2.gz SBLIIEDXDHLXFN-BGYRXZFFSA-N 2 0 371.569 3.770 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000431734565 940438568 /nfs/dbraw/zinc/43/85/68/940438568.db2.gz WSRUBZRXPHHOPP-DENIHFKCSA-N 2 0 371.569 3.942 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177805032 940446648 /nfs/dbraw/zinc/44/66/48/940446648.db2.gz ZYWPUFIFPITAGG-GOSISDBHSA-N 2 0 364.493 3.664 20 0 FHADRP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000685849511 940461178 /nfs/dbraw/zinc/46/11/78/940461178.db2.gz LIFNFEIQLMQXQC-NHCUHLMSSA-N 2 0 358.526 3.551 20 0 FHADRP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000685849372 940463811 /nfs/dbraw/zinc/46/38/11/940463811.db2.gz WLHSSBVWBVDPMI-FQEVSTJZSA-N 2 0 360.542 3.941 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000685850985 940467487 /nfs/dbraw/zinc/46/74/87/940467487.db2.gz XUHWLZYZNGZOQQ-FGZHOGPDSA-N 2 0 370.537 3.695 20 0 FHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414066254 940474237 /nfs/dbraw/zinc/47/42/37/940474237.db2.gz GZAZUSYBKMDTAX-QFUCXCTJSA-N 2 0 363.977 3.839 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414077421 940483129 /nfs/dbraw/zinc/48/31/29/940483129.db2.gz YYQYOCNMWVURAJ-GOSISDBHSA-N 2 0 372.582 3.878 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082916 940486512 /nfs/dbraw/zinc/48/65/12/940486512.db2.gz FYVPQQPZKKLUDT-SJLPKXTDSA-N 2 0 359.539 3.698 20 0 FHADRP Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776927 940493371 /nfs/dbraw/zinc/49/33/71/940493371.db2.gz UZTRKBQNNDZHHB-SFTDATJTSA-N 2 0 357.542 3.513 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431776925 940493499 /nfs/dbraw/zinc/49/34/99/940493499.db2.gz UZTRKBQNNDZHHB-NHCUHLMSSA-N 2 0 357.542 3.513 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000652139045 945331857 /nfs/dbraw/zinc/33/18/57/945331857.db2.gz ZRQMMUUXKXCJQB-FGZHOGPDSA-N 2 0 358.574 3.565 20 0 FHADRP COC(=O)c1cnc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000414107973 940589591 /nfs/dbraw/zinc/58/95/91/940589591.db2.gz SZGNDRNSXRBFDM-FHERZECASA-N 2 0 365.543 3.623 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000414115667 940604412 /nfs/dbraw/zinc/60/44/12/940604412.db2.gz PRMYMYNMTPUZPZ-SFHVURJKSA-N 2 0 368.521 3.811 20 0 FHADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431801967 940606668 /nfs/dbraw/zinc/60/66/68/940606668.db2.gz QTLVGRAGJSEZTI-FCEUIQTBSA-N 2 0 371.569 3.762 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000414131476 940645091 /nfs/dbraw/zinc/64/50/91/940645091.db2.gz XZIRZQYSVNBKMB-AMZGXZFVSA-N 2 0 365.521 3.806 20 0 FHADRP OC1(C[NH2+][C@@H]2CCCOc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414292279 940910244 /nfs/dbraw/zinc/91/02/44/940910244.db2.gz AMHLNZMNUSVIJS-OAQYLSRUSA-N 2 0 366.505 3.517 20 0 FHADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414312510 940949700 /nfs/dbraw/zinc/94/97/00/940949700.db2.gz WQBYJRFKNCCXCN-GCJKJVERSA-N 2 0 350.506 3.537 20 0 FHADRP CCCC1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414320506 940965362 /nfs/dbraw/zinc/96/53/62/940965362.db2.gz CDOFEYLMWVVNMZ-UHFFFAOYSA-N 2 0 371.569 3.832 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000580067799 940991858 /nfs/dbraw/zinc/99/18/58/940991858.db2.gz JSDUGHRBYKQORC-VQIMIIECSA-N 2 0 371.550 3.971 20 0 FHADRP CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335770 940998753 /nfs/dbraw/zinc/99/87/53/940998753.db2.gz YNNALXNYPKQAFB-LAUBAEHRSA-N 2 0 359.558 3.688 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544064 941066016 /nfs/dbraw/zinc/06/60/16/941066016.db2.gz VYOCZKCJTQPFEO-LSDHHAIUSA-N 2 0 354.441 3.508 20 0 FHADRP Fc1ccccc1OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647549654 941071360 /nfs/dbraw/zinc/07/13/60/941071360.db2.gz LJJHUEGNMNQFJR-PXCRPINLSA-N 2 0 354.469 3.924 20 0 FHADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414380828 941073211 /nfs/dbraw/zinc/07/32/11/941073211.db2.gz OXBKQZMRKWGCEU-RTBURBONSA-N 2 0 370.459 3.871 20 0 FHADRP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123541340 941107052 /nfs/dbraw/zinc/10/70/52/941107052.db2.gz YHBTUJHTLINCIS-HXUWFJFHSA-N 2 0 362.558 3.604 20 0 FHADRP CCCC[NH+]1CCC([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000164482119 941121009 /nfs/dbraw/zinc/12/10/09/941121009.db2.gz CPISEGCQWLQZRW-UHFFFAOYSA-N 2 0 358.574 3.576 20 0 FHADRP Cc1ccc2nc(CSCC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cn2c1 ZINC000178235575 941212306 /nfs/dbraw/zinc/21/23/06/941212306.db2.gz MYUJDQLWTZHPNK-CQSZACIVSA-N 2 0 354.479 3.534 20 0 FHADRP COc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180141446 941353084 /nfs/dbraw/zinc/35/30/84/941353084.db2.gz YGSGSXBTDGDBOV-ZYJGPIPZSA-N 2 0 366.505 3.514 20 0 FHADRP c1ccc2cc(OCCC[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2c1 ZINC000590059815 941392372 /nfs/dbraw/zinc/39/23/72/941392372.db2.gz JAVZMYBMSOJELK-UHFFFAOYSA-N 2 0 368.521 3.653 20 0 FHADRP COc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000311916010 941422383 /nfs/dbraw/zinc/42/23/83/941422383.db2.gz IDLZNTLDXALHDD-JOCHJYFZSA-N 2 0 354.494 3.706 20 0 FHADRP C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2)CCN1C1CC[NH+](C)CC1 ZINC000376863909 941454722 /nfs/dbraw/zinc/45/47/22/941454722.db2.gz IQCSNRGOUAVREN-INIZCTEOSA-N 2 0 367.990 3.532 20 0 FHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000549142709 941522407 /nfs/dbraw/zinc/52/24/07/941522407.db2.gz XOLCAYVUANCKCH-SFTDATJTSA-N 2 0 358.526 3.880 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000415017266 941543146 /nfs/dbraw/zinc/54/31/46/941543146.db2.gz RWLPBWVODGXDJB-GOSISDBHSA-N 2 0 363.509 3.601 20 0 FHADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CCCC[NH+]1C ZINC000472676749 941550945 /nfs/dbraw/zinc/55/09/45/941550945.db2.gz GDLMEMSSWLPTAU-FQEVSTJZSA-N 2 0 358.505 3.955 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000415036087 941552555 /nfs/dbraw/zinc/55/25/55/941552555.db2.gz LHLJMHNWVNDSIU-OXJNMPFZSA-N 2 0 364.468 3.895 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000415031883 941555375 /nfs/dbraw/zinc/55/53/75/941555375.db2.gz HJOAIFJTEODHCX-HKUYNNGSSA-N 2 0 366.534 3.877 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000415032724 941556315 /nfs/dbraw/zinc/55/63/15/941556315.db2.gz IELSDHWKOKKFMW-SMDDNHRTSA-N 2 0 366.328 3.790 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000415032645 941556377 /nfs/dbraw/zinc/55/63/77/941556377.db2.gz IBJGXNQMPXGKDH-KNQAVFIVSA-N 2 0 360.505 3.815 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042591 941562694 /nfs/dbraw/zinc/56/26/94/941562694.db2.gz RCNQLPUQGZKVRI-OCCSQVGLSA-N 2 0 351.903 3.593 20 0 FHADRP c1cncc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415052218 941567445 /nfs/dbraw/zinc/56/74/45/941567445.db2.gz MUPONOOSRBZBIS-RBBKRZOGSA-N 2 0 351.494 3.625 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000415045056 941568559 /nfs/dbraw/zinc/56/85/59/941568559.db2.gz SZCMGEBUKRJJLL-RDTXWAMCSA-N 2 0 357.885 3.809 20 0 FHADRP CO[C@]1(C)CCC[NH+](CCCCC[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000377212724 941569104 /nfs/dbraw/zinc/56/91/04/941569104.db2.gz CUSQQRYBMUXLBM-NHCUHLMSSA-N 2 0 354.579 3.939 20 0 FHADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061030 941579562 /nfs/dbraw/zinc/57/95/62/941579562.db2.gz XRFALEPZKZUIAX-QQFBHYJXSA-N 2 0 370.368 3.730 20 0 FHADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000415061836 941580530 /nfs/dbraw/zinc/58/05/30/941580530.db2.gz DRGYOWPDEZEIJZ-QHCPKHFHSA-N 2 0 369.528 3.685 20 0 FHADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415076825 941587261 /nfs/dbraw/zinc/58/72/61/941587261.db2.gz BNOAMRZVLQMRTO-KBPBESRZSA-N 2 0 357.325 3.629 20 0 FHADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415078646 941591105 /nfs/dbraw/zinc/59/11/05/941591105.db2.gz GPNRERJSHHJTIK-FHLIZLRMSA-N 2 0 363.343 3.991 20 0 FHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccncc1 ZINC000415082241 941592507 /nfs/dbraw/zinc/59/25/07/941592507.db2.gz CWTMTGNEAZYIRX-AOIWGVFYSA-N 2 0 369.509 3.708 20 0 FHADRP COc1cc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)ccc1OCc1ccncc1 ZINC000415092659 941598571 /nfs/dbraw/zinc/59/85/71/941598571.db2.gz UCVZXAOXRSPOQE-VXESANQCSA-N 2 0 369.509 3.837 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000415098917 941602820 /nfs/dbraw/zinc/60/28/20/941602820.db2.gz GDAAYVXPNHNKBL-KZNAEPCWSA-N 2 0 363.343 3.991 20 0 FHADRP [NH3+]CC1CCC([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000415116765 941613428 /nfs/dbraw/zinc/61/34/28/941613428.db2.gz VEAVUHZCKGEPBE-UHFFFAOYSA-N 2 0 369.475 3.777 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000415117256 941613450 /nfs/dbraw/zinc/61/34/50/941613450.db2.gz CBFXVXVMNQRJRR-ZFWWWQNUSA-N 2 0 373.360 3.537 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000415117724 941613940 /nfs/dbraw/zinc/61/39/40/941613940.db2.gz ZYPAJMCOKOVDEF-IRXDYDNUSA-N 2 0 360.395 3.563 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415120365 941616329 /nfs/dbraw/zinc/61/63/29/941616329.db2.gz GSPBJNPAQFRRHI-PGRDOPGGSA-N 2 0 354.494 3.567 20 0 FHADRP CC(C)Oc1ccccc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415127004 941616355 /nfs/dbraw/zinc/61/63/55/941616355.db2.gz HOVSRKKLKMGYGW-UHFFFAOYSA-N 2 0 367.537 3.557 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)sc1Br ZINC000415119929 941617123 /nfs/dbraw/zinc/61/71/23/941617123.db2.gz FWGZAINFONLPFB-DZGCQCFKSA-N 2 0 373.360 3.537 20 0 FHADRP c1cc(-c2ccccc2)sc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133784 941621494 /nfs/dbraw/zinc/62/14/94/941621494.db2.gz NPDHJWBKSOOZPC-MOPGFXCFSA-N 2 0 354.519 3.616 20 0 FHADRP NC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137868 941626295 /nfs/dbraw/zinc/62/62/95/941626295.db2.gz UHJYMKURAFVBND-ROUUACIJSA-N 2 0 369.475 3.691 20 0 FHADRP O=C(CCCC[NH+]1CCCC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000729351363 941729528 /nfs/dbraw/zinc/72/95/28/941729528.db2.gz ZRPKJIONIJZYMP-UHFFFAOYSA-N 2 0 371.569 3.945 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729366740 941736636 /nfs/dbraw/zinc/73/66/36/941736636.db2.gz JXBJYXKMEFPZFL-UHFFFAOYSA-N 2 0 371.569 3.623 20 0 FHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000513204686 941780326 /nfs/dbraw/zinc/78/03/26/941780326.db2.gz USDBFUVAACNPOK-HCLVMJGWSA-N 2 0 369.553 3.704 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)CC1 ZINC000093132649 941802937 /nfs/dbraw/zinc/80/29/37/941802937.db2.gz RESHXWCSTDJCHQ-IBGZPJMESA-N 2 0 373.541 3.766 20 0 FHADRP O[C@H](CCc1ccccc1)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000644532398 941824434 /nfs/dbraw/zinc/82/44/34/941824434.db2.gz FJOTXTQVEDVANC-HXUWFJFHSA-N 2 0 358.551 3.543 20 0 FHADRP c1ccc(Oc2ccc3[nH+]ccc(N4CCN5CCOC[C@@H]5C4)c3c2)cc1 ZINC000433769235 941875196 /nfs/dbraw/zinc/87/51/96/941875196.db2.gz RPBSUYWOBGIFDK-KRWDZBQOSA-N 2 0 361.445 3.548 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415781257 942048845 /nfs/dbraw/zinc/04/88/45/942048845.db2.gz CUCYDUWHEJZLIO-NHCUHLMSSA-N 2 0 366.509 3.619 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000513661697 942070846 /nfs/dbraw/zinc/07/08/46/942070846.db2.gz VKFBBZHAUNMFOL-GHTZIAJQSA-N 2 0 371.569 3.911 20 0 FHADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513661849 942070888 /nfs/dbraw/zinc/07/08/88/942070888.db2.gz RERAOVSYPHUGDG-QHAWAJNXSA-N 2 0 371.569 3.572 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccccc1 ZINC000415901850 942120789 /nfs/dbraw/zinc/12/07/89/942120789.db2.gz NOEDQUJTWILTAN-FQEVSTJZSA-N 2 0 354.498 3.611 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000415907669 942136034 /nfs/dbraw/zinc/13/60/34/942136034.db2.gz BSFCQJUQWRFMTE-ROUUACIJSA-N 2 0 358.530 3.524 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000280232978 942141208 /nfs/dbraw/zinc/14/12/08/942141208.db2.gz HLTJSRWUFOWJCY-KRWDZBQOSA-N 2 0 371.491 3.644 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000415909754 942143890 /nfs/dbraw/zinc/14/38/90/942143890.db2.gz GMMHZMKVBCGHDC-KRWDZBQOSA-N 2 0 366.509 3.753 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415913101 942147155 /nfs/dbraw/zinc/14/71/55/942147155.db2.gz OVTFLFAFNQCJHI-SFHVURJKSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000415924195 942152169 /nfs/dbraw/zinc/15/21/69/942152169.db2.gz YAQZWEXAFCSRHC-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000415928900 942165455 /nfs/dbraw/zinc/16/54/55/942165455.db2.gz GVOXQIUQASBTET-DYESRHJHSA-N 2 0 368.525 3.917 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000415943279 942174391 /nfs/dbraw/zinc/17/43/91/942174391.db2.gz LHSYZJSRBDEDLR-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000415959207 942191365 /nfs/dbraw/zinc/19/13/65/942191365.db2.gz SJNVJEINQLKXJG-KRWDZBQOSA-N 2 0 360.546 3.818 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000415953340 942193530 /nfs/dbraw/zinc/19/35/30/942193530.db2.gz LEGMTJWOGNRHKK-MOPGFXCFSA-N 2 0 372.557 3.914 20 0 FHADRP C[N@H+](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000415955220 942196249 /nfs/dbraw/zinc/19/62/49/942196249.db2.gz PKVJZJAICJKTIF-UHFFFAOYSA-N 2 0 372.435 3.550 20 0 FHADRP [NH3+]Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000415971669 942218887 /nfs/dbraw/zinc/21/88/87/942218887.db2.gz GOJMTMIKCSUICQ-UHFFFAOYSA-N 2 0 366.509 3.843 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1)CC1CC1 ZINC000415979581 942223100 /nfs/dbraw/zinc/22/31/00/942223100.db2.gz DNWWENRYZXBJRZ-UHFFFAOYSA-N 2 0 372.557 3.772 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCCC1)c1ccccc1 ZINC000415976276 942228247 /nfs/dbraw/zinc/22/82/47/942228247.db2.gz MXDBTDNHKLKURM-QGZVFWFLSA-N 2 0 366.509 3.930 20 0 FHADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416009722 942259497 /nfs/dbraw/zinc/25/94/97/942259497.db2.gz NRVSDVLAEBOZCQ-OAQYLSRUSA-N 2 0 366.509 3.568 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](OC(C)C)c3ccccc3)CC2)CC1 ZINC000420980487 942280452 /nfs/dbraw/zinc/28/04/52/942280452.db2.gz LTDWSPHIIGYAFM-HSZRJFAPSA-N 2 0 373.585 3.645 20 0 FHADRP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986431 942282659 /nfs/dbraw/zinc/28/26/59/942282659.db2.gz YKEDVWQOUGDSID-NRFANRHFSA-N 2 0 365.512 3.908 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000420975412 942286474 /nfs/dbraw/zinc/28/64/74/942286474.db2.gz FXYZZLZRAAITAP-JOCHJYFZSA-N 2 0 359.533 3.695 20 0 FHADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccsc1 ZINC000420998519 942296286 /nfs/dbraw/zinc/29/62/86/942296286.db2.gz BBWATKROOWLLDL-INIZCTEOSA-N 2 0 351.560 3.509 20 0 FHADRP COc1cccc(CCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501083897 942301376 /nfs/dbraw/zinc/30/13/76/942301376.db2.gz VTKCJKQVJOJLRQ-UHFFFAOYSA-N 2 0 353.510 3.871 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000501110294 942302561 /nfs/dbraw/zinc/30/25/61/942302561.db2.gz JYEDXFZDKITMPX-WOJBJXKFSA-N 2 0 351.538 3.830 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414825333 942452937 /nfs/dbraw/zinc/45/29/37/942452937.db2.gz HGKYLEGANWJVNG-HXUWFJFHSA-N 2 0 354.494 3.754 20 0 FHADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414831624 942499596 /nfs/dbraw/zinc/49/95/96/942499596.db2.gz DGEASDYJMKEZOZ-KRWDZBQOSA-N 2 0 354.494 3.850 20 0 FHADRP O=C(Nc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000414834544 942513942 /nfs/dbraw/zinc/51/39/42/942513942.db2.gz SOMBFEWWKBJMLZ-INIZCTEOSA-N 2 0 357.885 3.682 20 0 FHADRP COc1ccc(OC)c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804028 942536750 /nfs/dbraw/zinc/53/67/50/942536750.db2.gz CDYSBMJLDIIWJH-PZJWPPBQSA-N 2 0 366.505 3.658 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1 ZINC000513834024 942548019 /nfs/dbraw/zinc/54/80/19/942548019.db2.gz NHBUKQIKVIAZDI-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP FC(F)Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843517 942574294 /nfs/dbraw/zinc/57/42/94/942574294.db2.gz QCEOPPXSTHBLMB-LLVKDONJSA-N 2 0 363.246 3.530 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414842595 942578811 /nfs/dbraw/zinc/57/88/11/942578811.db2.gz PEPMFRSCPFXLDB-SFHVURJKSA-N 2 0 354.542 3.708 20 0 FHADRP Clc1ccc(COC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000420296048 942598484 /nfs/dbraw/zinc/59/84/84/942598484.db2.gz CXILSZAUYMYINU-AWEZNQCLSA-N 2 0 357.325 3.974 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305556 942611812 /nfs/dbraw/zinc/61/18/12/942611812.db2.gz KLYMOPMCKDOHTK-OCCSQVGLSA-N 2 0 360.914 3.885 20 0 FHADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420311387 942615941 /nfs/dbraw/zinc/61/59/41/942615941.db2.gz VSIQOCDVIHLLMN-SWLSCSKDSA-N 2 0 355.345 3.917 20 0 FHADRP C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420313584 942616266 /nfs/dbraw/zinc/61/62/66/942616266.db2.gz YCXFCVACTYDQFC-KRWDZBQOSA-N 2 0 358.505 3.860 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000420316450 942618770 /nfs/dbraw/zinc/61/87/70/942618770.db2.gz YECXVXLDWXIXOG-KFKAGJAMSA-N 2 0 363.461 3.673 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342577 942619220 /nfs/dbraw/zinc/61/92/20/942619220.db2.gz OZOYAADPSDMXTH-AHIWAGSCSA-N 2 0 352.935 3.869 20 0 FHADRP CSc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414526521 942622676 /nfs/dbraw/zinc/62/26/76/942622676.db2.gz OSMCLFLRQVKDCM-UHFFFAOYSA-N 2 0 362.564 3.587 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338305 942623103 /nfs/dbraw/zinc/62/31/03/942623103.db2.gz KPUHHMMAXAUJBZ-RTWAWAEBSA-N 2 0 363.505 3.760 20 0 FHADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc2ccccc21 ZINC000420341196 942624758 /nfs/dbraw/zinc/62/47/58/942624758.db2.gz OBVUEMPPYWICCR-FQEVSTJZSA-N 2 0 351.494 3.632 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341930 942624876 /nfs/dbraw/zinc/62/48/76/942624876.db2.gz OXHUDPOQCSXPRV-XLIONFOSSA-N 2 0 357.542 3.909 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000420325403 942628976 /nfs/dbraw/zinc/62/89/76/942628976.db2.gz WCDLIKOLYZAZFQ-CABCVRRESA-N 2 0 351.450 3.673 20 0 FHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326200 942629536 /nfs/dbraw/zinc/62/95/36/942629536.db2.gz XIDNCCTYZPQDMN-OLZOCXBDSA-N 2 0 360.914 3.885 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CC12CCOCC2 ZINC000420333790 942631389 /nfs/dbraw/zinc/63/13/89/942631389.db2.gz SXNRVDQBNBMTON-ZDUSSCGKSA-N 2 0 350.915 3.742 20 0 FHADRP FC(F)(F)c1ccccc1OCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420363613 942640021 /nfs/dbraw/zinc/64/00/21/942640021.db2.gz BPXRAVVJTRXJGI-OAHLLOKOSA-N 2 0 356.432 3.796 20 0 FHADRP Clc1ccc(CCN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000420377538 942645322 /nfs/dbraw/zinc/64/53/22/942645322.db2.gz SIFUOTADRPTZPT-KRWDZBQOSA-N 2 0 370.368 3.543 20 0 FHADRP OC1(C[NH2+]CCSCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414530924 942646424 /nfs/dbraw/zinc/64/64/24/942646424.db2.gz YIZQCEXMYBKODK-UHFFFAOYSA-N 2 0 370.562 3.537 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377975 942646550 /nfs/dbraw/zinc/64/65/50/942646550.db2.gz AUYQRAZDUVQXGK-CJNGLKHVSA-N 2 0 370.324 3.786 20 0 FHADRP CC(C)(C)c1cccc(OCCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420380752 942647142 /nfs/dbraw/zinc/64/71/42/942647142.db2.gz CDHOQUXVRJAJAB-UNMCSNQZSA-N 2 0 374.569 3.971 20 0 FHADRP C[NH+](C)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC000425077883 942647825 /nfs/dbraw/zinc/64/78/25/942647825.db2.gz JGWUFJLPFLGDAX-UHFFFAOYSA-N 2 0 372.538 3.614 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)C1 ZINC000420386678 942649508 /nfs/dbraw/zinc/64/95/08/942649508.db2.gz JFOJPLKFDOGPOC-RDJZCZTQSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420388597 942650403 /nfs/dbraw/zinc/65/04/03/942650403.db2.gz XDDQLAUUYJTTIL-XWIAVFTESA-N 2 0 356.432 3.985 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000420391036 942652935 /nfs/dbraw/zinc/65/29/35/942652935.db2.gz NSJGPIAMLNXTHC-FPOVZHCZSA-N 2 0 358.526 3.533 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)cc1)C(C)C ZINC000434420709 942663084 /nfs/dbraw/zinc/66/30/84/942663084.db2.gz RXMXAYOQTSRDLO-NRFANRHFSA-N 2 0 357.542 3.664 20 0 FHADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407707 942663417 /nfs/dbraw/zinc/66/34/17/942663417.db2.gz OOCOKSFWDAXBOQ-MSOLQXFVSA-N 2 0 367.493 3.724 20 0 FHADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000502742523 942695220 /nfs/dbraw/zinc/69/52/20/942695220.db2.gz VZHFHXOQDMKRQT-HSALFYBXSA-N 2 0 351.579 3.752 20 0 FHADRP CC(C)[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000502747020 942714590 /nfs/dbraw/zinc/71/45/90/942714590.db2.gz CBKRVDKVBZGWFU-ICSRJNTNSA-N 2 0 374.573 3.535 20 0 FHADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCCO[C@H]4CCCCO4)CC[C@H]32)cc1 ZINC000514081773 942733166 /nfs/dbraw/zinc/73/31/66/942733166.db2.gz CSWSQXOIEHMSGX-ZLNRFVROSA-N 2 0 372.553 3.906 20 0 FHADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502795003 942748389 /nfs/dbraw/zinc/74/83/89/942748389.db2.gz JNKMWXBOEMRKOT-MOPGFXCFSA-N 2 0 374.573 3.680 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cccc(C)c1 ZINC000514098452 942758022 /nfs/dbraw/zinc/75/80/22/942758022.db2.gz GZLCSLHZZZUAMJ-OAQYLSRUSA-N 2 0 352.526 3.773 20 0 FHADRP CC[C@H](CC(F)F)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659994153 942806326 /nfs/dbraw/zinc/80/63/26/942806326.db2.gz SJKJGBVWYBSVGL-QGZVFWFLSA-N 2 0 359.549 3.796 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414551682 942812933 /nfs/dbraw/zinc/81/29/33/942812933.db2.gz PFZUFGSIPORLEV-OAQYLSRUSA-N 2 0 371.569 3.622 20 0 FHADRP CC(=O)N1CC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000378501731 942831824 /nfs/dbraw/zinc/83/18/24/942831824.db2.gz WNHFFVUSLSXAKB-XMSQKQJNSA-N 2 0 357.542 3.724 20 0 FHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000183156961 942836196 /nfs/dbraw/zinc/83/61/96/942836196.db2.gz DFYZEQVDQKLEMM-ZDUSSCGKSA-N 2 0 370.403 3.748 20 0 FHADRP COc1ccc([C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421861798 942851515 /nfs/dbraw/zinc/85/15/15/942851515.db2.gz WISNVQHSBDSLRT-GOSISDBHSA-N 2 0 352.519 3.702 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000514238522 942852960 /nfs/dbraw/zinc/85/29/60/942852960.db2.gz FMOHEILXSCAQBL-SFHLNBCPSA-N 2 0 360.542 3.666 20 0 FHADRP OC1(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000421848232 942858845 /nfs/dbraw/zinc/85/88/45/942858845.db2.gz AEPQQUKEXMVYHA-YPAWHYETSA-N 2 0 356.554 3.962 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1I ZINC000421878752 942862317 /nfs/dbraw/zinc/86/23/17/942862317.db2.gz NXTCQAFKKWQQRJ-IYXRBSQSSA-N 2 0 372.294 3.815 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000421884111 942864071 /nfs/dbraw/zinc/86/40/71/942864071.db2.gz UAWIPUQSGXKJFO-JTPDYBDNSA-N 3 0 355.570 3.892 20 0 FHADRP CCN(CCC[NH+](CC)CC)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000472995714 942875030 /nfs/dbraw/zinc/87/50/30/942875030.db2.gz BQUYROCZIXPDLZ-UHFFFAOYSA-N 2 0 359.514 3.688 20 0 FHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000378616452 942965214 /nfs/dbraw/zinc/96/52/14/942965214.db2.gz OTURMUWVIWYGFF-YLJYHZDGSA-N 2 0 366.509 3.603 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC1=CC[NH+](C)CC1)C1CCCCC1 ZINC000271762469 943045801 /nfs/dbraw/zinc/04/58/01/943045801.db2.gz AACRPXNNIOSMPM-UHFFFAOYSA-N 2 0 370.541 3.835 20 0 FHADRP OCCC[C@H]([NH2+]CCC[NH2+][C@@H](CCCO)c1ccccc1)c1ccccc1 ZINC000271775439 943048535 /nfs/dbraw/zinc/04/85/35/943048535.db2.gz KRIDJLYEOQYMLM-GOTSBHOMSA-N 2 0 370.537 3.583 20 0 FHADRP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505573434 943057638 /nfs/dbraw/zinc/05/76/38/943057638.db2.gz BTGHUHRLRLJTBV-JTSKRJEESA-N 2 0 374.488 3.668 20 0 FHADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860015 943059096 /nfs/dbraw/zinc/05/90/96/943059096.db2.gz OBERVVCNFVVFJU-INIZCTEOSA-N 2 0 365.949 3.718 20 0 FHADRP C[C@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414863007 943090221 /nfs/dbraw/zinc/09/02/21/943090221.db2.gz XUOVDUDGFNJTBT-CMPLNLGQSA-N 2 0 365.237 3.946 20 0 FHADRP C[C@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000414863009 943090334 /nfs/dbraw/zinc/09/03/34/943090334.db2.gz XUOVDUDGFNJTBT-JQWIXIFHSA-N 2 0 365.237 3.946 20 0 FHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000414652243 943103666 /nfs/dbraw/zinc/10/36/66/943103666.db2.gz GUKRJVVDTTWLJR-HXUWFJFHSA-N 2 0 360.505 3.687 20 0 FHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000414659861 943134584 /nfs/dbraw/zinc/13/45/84/943134584.db2.gz UGWGOCNVMAMWFX-FQEVSTJZSA-N 2 0 360.505 3.687 20 0 FHADRP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000414662372 943145132 /nfs/dbraw/zinc/14/51/32/943145132.db2.gz RDMDRHKSCZTPHE-XMSQKQJNSA-N 2 0 360.505 3.768 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663849 943151413 /nfs/dbraw/zinc/15/14/13/943151413.db2.gz RYBAPJOXWVAUEB-CRAIPNDOSA-N 2 0 358.457 3.582 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000582089838 943169830 /nfs/dbraw/zinc/16/98/30/943169830.db2.gz YZAYACUSUWSCTO-IRXDYDNUSA-N 2 0 371.491 3.672 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000414667538 943173406 /nfs/dbraw/zinc/17/34/06/943173406.db2.gz HLFKAGBCMUVREZ-QGZVFWFLSA-N 2 0 354.542 3.788 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2)cs1 ZINC000422560666 943181828 /nfs/dbraw/zinc/18/18/28/943181828.db2.gz HKKLLIXZAJAYDC-DAYGRLMNSA-N 2 0 359.539 3.836 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000660107865 943183653 /nfs/dbraw/zinc/18/36/53/943183653.db2.gz RDQIWBCPTKPXEK-OAQYLSRUSA-N 2 0 355.570 3.597 20 0 FHADRP CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000514668285 943203065 /nfs/dbraw/zinc/20/30/65/943203065.db2.gz DAFKBESKKIYDTK-UHFFFAOYSA-N 2 0 367.493 3.881 20 0 FHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000422638933 943207063 /nfs/dbraw/zinc/20/70/63/943207063.db2.gz RUWDMSMEGKDSJZ-MBOZVWFJSA-N 2 0 351.494 3.744 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000272719429 943208455 /nfs/dbraw/zinc/20/84/55/943208455.db2.gz MNXQUUWWHCBJRF-UHFFFAOYSA-N 2 0 358.555 3.744 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C ZINC000272822157 943227926 /nfs/dbraw/zinc/22/79/26/943227926.db2.gz DDOVGUDIKQEOQB-GOSISDBHSA-N 2 0 368.521 3.811 20 0 FHADRP CCS[C@@H]1CCC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@H]2SCC)COC1 ZINC000503517790 943229626 /nfs/dbraw/zinc/22/96/26/943229626.db2.gz SDDNCUIMJUIXGG-XMTFNYHQSA-N 2 0 372.644 3.531 20 0 FHADRP CC[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704858 943240067 /nfs/dbraw/zinc/24/00/67/943240067.db2.gz ARBIFXIMYPFWAF-MOPGFXCFSA-N 2 0 369.475 3.790 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706844 943241141 /nfs/dbraw/zinc/24/11/41/943241141.db2.gz GEKBCOSVEMBFCM-NMIHRBCNSA-N 2 0 371.569 3.733 20 0 FHADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c21 ZINC000422708620 943242391 /nfs/dbraw/zinc/24/23/91/943242391.db2.gz CBGGAYCZCQADLL-REWPJTCUSA-N 2 0 361.489 3.864 20 0 FHADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422691485 943246779 /nfs/dbraw/zinc/24/67/79/943246779.db2.gz IKOHDPNWNCJPOG-PCCBWWKXSA-N 2 0 367.493 3.893 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422729668 943249379 /nfs/dbraw/zinc/24/93/79/943249379.db2.gz IGCFJTDRNPASAS-OAHLLOKOSA-N 2 0 366.933 3.529 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1)c1ccco1 ZINC000422718155 943255655 /nfs/dbraw/zinc/25/56/55/943255655.db2.gz PFJQJJPQQWFRFN-XUVXKRRUSA-N 2 0 367.493 3.932 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720520 943257244 /nfs/dbraw/zinc/25/72/44/943257244.db2.gz SPGJQFPUMJLTON-LPHOPBHVSA-N 2 0 355.482 3.932 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727136 943261562 /nfs/dbraw/zinc/26/15/62/943261562.db2.gz GVYZEPOUMMMRCE-KZNAEPCWSA-N 2 0 355.448 3.529 20 0 FHADRP CC[C@@H]1C[C@H](C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000503581477 943263360 /nfs/dbraw/zinc/26/33/60/943263360.db2.gz OAURJBOMLJXTCT-FGZHOGPDSA-N 2 0 374.569 3.853 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754802 943272964 /nfs/dbraw/zinc/27/29/64/943272964.db2.gz GERFYSQVVPJWHB-KYJSFNMBSA-N 2 0 357.464 3.805 20 0 FHADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000422756514 943274885 /nfs/dbraw/zinc/27/48/85/943274885.db2.gz LPBWLVTYVKQTCZ-SLFFLAALSA-N 2 0 360.542 3.927 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000422771847 943277620 /nfs/dbraw/zinc/27/76/20/943277620.db2.gz RRFYTILEDBBHFG-KNQAVFIVSA-N 2 0 354.494 3.719 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422777629 943279178 /nfs/dbraw/zinc/27/91/78/943279178.db2.gz FVUVYARBHBNBKN-XZOQPEGZSA-N 3 0 365.521 3.642 20 0 FHADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789143 943283099 /nfs/dbraw/zinc/28/30/99/943283099.db2.gz BAZBQFBVXFKODW-UZLBHIALSA-N 2 0 360.404 3.634 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OCc1ccccc1 ZINC000422764110 943284297 /nfs/dbraw/zinc/28/42/97/943284297.db2.gz JVZAWJDQDBYNTN-XLIONFOSSA-N 2 0 354.494 3.752 20 0 FHADRP c1ccc2c(c1)cccc2CSCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422765032 943284939 /nfs/dbraw/zinc/28/49/39/943284939.db2.gz PYLKVNXOBHBVGN-FDFHNCONSA-N 2 0 370.562 3.820 20 0 FHADRP FC(F)Oc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422763307 943284981 /nfs/dbraw/zinc/28/49/81/943284981.db2.gz NFGYVQLIQQJXBR-PXNSSMCTSA-N 2 0 360.404 3.634 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795080 943285700 /nfs/dbraw/zinc/28/57/00/943285700.db2.gz ZPTKTPBREHUYED-NRSPTQNISA-N 2 0 372.896 3.873 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765695 943285851 /nfs/dbraw/zinc/28/58/51/943285851.db2.gz RBFOXJDFADBZDD-QFHJOOASSA-N 2 0 369.475 3.805 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799554 943288058 /nfs/dbraw/zinc/28/80/58/943288058.db2.gz XFVMQOXONMSJFK-BVPBIZIASA-N 2 0 367.331 3.727 20 0 FHADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799299 943288142 /nfs/dbraw/zinc/28/81/42/943288142.db2.gz WBJGIDHIKPCWRP-IDENBPMYSA-N 2 0 368.924 3.531 20 0 FHADRP CSc1ccc(F)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422813063 943291790 /nfs/dbraw/zinc/29/17/90/943291790.db2.gz XIGONVSRXNPTBR-PXNSSMCTSA-N 2 0 358.482 3.893 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422791587 943293820 /nfs/dbraw/zinc/29/38/20/943293820.db2.gz QJAAGDUNNJJFQB-BAGYTPMASA-N 2 0 352.526 3.559 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422819877 943295624 /nfs/dbraw/zinc/29/56/24/943295624.db2.gz JEDPJDJWDCYZAH-OAHLLOKOSA-N 2 0 366.933 3.529 20 0 FHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422823847 943296423 /nfs/dbraw/zinc/29/64/23/943296423.db2.gz MJOFUTCZICIDCK-PCCBWWKXSA-N 2 0 372.534 3.670 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422831284 943298836 /nfs/dbraw/zinc/29/88/36/943298836.db2.gz DKQUGDGMSIBBDI-RCCFBDPRSA-N 2 0 362.514 3.503 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422830655 943298988 /nfs/dbraw/zinc/29/89/88/943298988.db2.gz WAPMBPLCCAPXQT-GOEBONIOSA-N 2 0 367.921 3.578 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836860 943300480 /nfs/dbraw/zinc/30/04/80/943300480.db2.gz KSEDREYIRFTFSZ-LBVMUVSTSA-N 2 0 351.538 3.588 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Br ZINC000422837978 943301073 /nfs/dbraw/zinc/30/10/73/943301073.db2.gz NJAMLHAPYUKBNM-YALNPMBYSA-N 2 0 367.331 3.727 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850234 943304823 /nfs/dbraw/zinc/30/48/23/943304823.db2.gz VQMZGJKFPLNYJW-UTKZUKDTSA-N 2 0 366.509 3.734 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850235 943304967 /nfs/dbraw/zinc/30/49/67/943304967.db2.gz VQMZGJKFPLNYJW-UWJYYQICSA-N 2 0 366.509 3.734 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000422850612 943305937 /nfs/dbraw/zinc/30/59/37/943305937.db2.gz NUSOUQOCBQAEFQ-NRFANRHFSA-N 2 0 354.494 3.522 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422869187 943310015 /nfs/dbraw/zinc/31/00/15/943310015.db2.gz WWLXEHWSXUNDRD-BDTNDASRSA-N 2 0 352.526 3.542 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422869190 943310646 /nfs/dbraw/zinc/31/06/46/943310646.db2.gz WWLXEHWSXUNDRD-YPAWHYETSA-N 2 0 352.526 3.542 20 0 FHADRP [NH3+]CC1CCC([NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000422843350 943312348 /nfs/dbraw/zinc/31/23/48/943312348.db2.gz HZGRBVVCRAJUNA-UHFFFAOYSA-N 2 0 355.457 3.685 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422879394 943314080 /nfs/dbraw/zinc/31/40/80/943314080.db2.gz KHXGDRODLPHYOA-IHPCNDPISA-N 2 0 355.551 3.565 20 0 FHADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878860 943314226 /nfs/dbraw/zinc/31/42/26/943314226.db2.gz KYPDNHSSVZFBHZ-GOEBONIOSA-N 2 0 356.457 3.740 20 0 FHADRP COc1ccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878859 943314487 /nfs/dbraw/zinc/31/44/87/943314487.db2.gz KYPDNHSSVZFBHZ-GDBMZVCRSA-N 2 0 356.457 3.740 20 0 FHADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422884923 943316878 /nfs/dbraw/zinc/31/68/78/943316878.db2.gz FYXJZLMWWHDMCN-YLJYHZDGSA-N 2 0 358.869 3.694 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422884676 943317550 /nfs/dbraw/zinc/31/75/50/943317550.db2.gz SOMVCOQXULSBBK-JXXFODFXSA-N 2 0 358.530 3.932 20 0 FHADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422888035 943318354 /nfs/dbraw/zinc/31/83/54/943318354.db2.gz BXTVFPJNSIXGJF-LRGNLBRXSA-N 2 0 357.542 3.615 20 0 FHADRP CCOCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422889767 943319444 /nfs/dbraw/zinc/31/94/44/943319444.db2.gz QPIGWGZUASRABA-KNQAVFIVSA-N 2 0 358.526 3.819 20 0 FHADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422890361 943319799 /nfs/dbraw/zinc/31/97/99/943319799.db2.gz RTFCCJMLSMBUTN-NJDAHSKKSA-N 2 0 352.526 3.890 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)C)CC[NH2+]CC1 ZINC000422869852 943320915 /nfs/dbraw/zinc/32/09/15/943320915.db2.gz ASMMNURWMMVWBQ-KDOFPFPSSA-N 2 0 368.468 3.573 20 0 FHADRP CCOc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1OC(F)F ZINC000422871183 943321607 /nfs/dbraw/zinc/32/16/07/943321607.db2.gz CQJYIKNUXLYWEZ-LBPRGKRZSA-N 2 0 365.424 3.700 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873485 943322697 /nfs/dbraw/zinc/32/26/97/943322697.db2.gz AOUGGPHQKLMXTE-JROBLHLSSA-N 3 0 371.569 3.590 20 0 FHADRP Cc1csc(CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422906298 943326505 /nfs/dbraw/zinc/32/65/05/943326505.db2.gz JNEKCBDNXMFMLH-YLJYHZDGSA-N 2 0 357.523 3.620 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906960 943326698 /nfs/dbraw/zinc/32/66/98/943326698.db2.gz ANTFAZQWVMYKBW-YOEHRIQHSA-N 2 0 358.436 3.522 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422894204 943330650 /nfs/dbraw/zinc/33/06/50/943330650.db2.gz BPEGPGRPDJSFHC-HOTGVXAUSA-N 2 0 358.482 3.713 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422894265 943330962 /nfs/dbraw/zinc/33/09/62/943330962.db2.gz BWSXUKMMOKLJAR-CEWLAPEOSA-N 2 0 372.553 3.562 20 0 FHADRP Cc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422894613 943331256 /nfs/dbraw/zinc/33/12/56/943331256.db2.gz CMLRDZNCFVKGHB-YPAWHYETSA-N 2 0 356.554 3.944 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCCO2 ZINC000422926111 943333792 /nfs/dbraw/zinc/33/37/92/943333792.db2.gz CKVDUNDLZWEPJJ-BHYGNILZSA-N 2 0 350.890 3.512 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422925583 943334046 /nfs/dbraw/zinc/33/40/46/943334046.db2.gz BDRJVOTXLCSPGC-SFHVURJKSA-N 2 0 350.865 3.990 20 0 FHADRP Cc1ccc([C@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422927074 943334090 /nfs/dbraw/zinc/33/40/90/943334090.db2.gz YDHNGEIHMVYZIF-DYESRHJHSA-N 2 0 374.550 3.513 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927750 943334479 /nfs/dbraw/zinc/33/44/79/943334479.db2.gz GYWZNHYXWFZNKC-GFCCVEGCSA-N 2 0 353.388 3.641 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1Br ZINC000422928807 943334798 /nfs/dbraw/zinc/33/47/98/943334798.db2.gz MSMBPVTZFLSSSX-QWHCGFSZSA-N 2 0 362.315 3.893 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000422944020 943340859 /nfs/dbraw/zinc/34/08/59/943340859.db2.gz LYSJCYRQOBNYAB-OAHLLOKOSA-N 2 0 373.928 3.901 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422918907 943341446 /nfs/dbraw/zinc/34/14/46/943341446.db2.gz IXFABADBTFBXGU-HLRQEUIKSA-N 2 0 357.542 3.630 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422919580 943341676 /nfs/dbraw/zinc/34/16/76/943341676.db2.gz KCCWSMBUSHNKCC-KNQAVFIVSA-N 2 0 356.510 3.571 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422967855 943344263 /nfs/dbraw/zinc/34/42/63/943344263.db2.gz UNQVCVMHRLVFIL-WZONZLPQSA-N 2 0 362.521 3.661 20 0 FHADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422945569 943345750 /nfs/dbraw/zinc/34/57/50/943345750.db2.gz UXSNUVWARJTJIK-PWRODBHTSA-N 2 0 357.542 3.617 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422949361 943346273 /nfs/dbraw/zinc/34/62/73/943346273.db2.gz TWHZQQBIDYCCOZ-BMGDILEWSA-N 2 0 366.347 3.525 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922374 943346789 /nfs/dbraw/zinc/34/67/89/943346789.db2.gz KSNFJGYSYPVYET-MSOLQXFVSA-N 2 0 351.560 3.512 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000422959652 943350906 /nfs/dbraw/zinc/35/09/06/943350906.db2.gz TUKIIRWAOITTBW-OAHLLOKOSA-N 2 0 373.928 3.901 20 0 FHADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000422960728 943350927 /nfs/dbraw/zinc/35/09/27/943350927.db2.gz XPACDCGNXJWXKB-HSALFYBXSA-N 2 0 368.525 3.742 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)c2)CC1 ZINC000584670893 943358722 /nfs/dbraw/zinc/35/87/22/943358722.db2.gz WUKUGOICKLDSLR-VSKRKVRLSA-N 2 0 356.558 3.502 20 0 FHADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999477 943360211 /nfs/dbraw/zinc/36/02/11/943360211.db2.gz FGCVIDRBCZSFSD-OFNKIYASSA-N 2 0 366.505 3.818 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414711112 943362759 /nfs/dbraw/zinc/36/27/59/943362759.db2.gz LXYNEUKMRITACN-HXUWFJFHSA-N 2 0 370.541 3.809 20 0 FHADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423008080 943363500 /nfs/dbraw/zinc/36/35/00/943363500.db2.gz ZHLNGQZWTJLAJJ-OKZBNKHCSA-N 2 0 356.432 3.776 20 0 FHADRP FC(F)(F)COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423008081 943363712 /nfs/dbraw/zinc/36/37/12/943363712.db2.gz ZHLNGQZWTJLAJJ-RCCFBDPRSA-N 2 0 356.432 3.776 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423010499 943364155 /nfs/dbraw/zinc/36/41/55/943364155.db2.gz GPSFWGOQGULKPR-ZIAGYGMSSA-N 2 0 365.827 3.772 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000423015424 943365327 /nfs/dbraw/zinc/36/53/27/943365327.db2.gz QVQXNRAVFOKUKJ-KKSFZXQISA-N 2 0 354.494 3.521 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017678 943365723 /nfs/dbraw/zinc/36/57/23/943365723.db2.gz PJGGTFLOQNZZQS-GESALYCCSA-N 2 0 363.864 3.822 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000435377211 943366311 /nfs/dbraw/zinc/36/63/11/943366311.db2.gz ZEDFLMHFFMXZGV-OAQYLSRUSA-N 2 0 351.494 3.721 20 0 FHADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423022362 943367059 /nfs/dbraw/zinc/36/70/59/943367059.db2.gz FCAIMLJUOONTBX-UNMCSNQZSA-N 2 0 351.494 3.724 20 0 FHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423047203 943368075 /nfs/dbraw/zinc/36/80/75/943368075.db2.gz GTNCRMIIVDWLDA-BHIFYINESA-N 2 0 368.521 3.874 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382154 943370912 /nfs/dbraw/zinc/37/09/12/943370912.db2.gz ZTNMNOZPNSJYKW-WIYYLYMNSA-N 2 0 360.505 3.768 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026658 943370988 /nfs/dbraw/zinc/37/09/88/943370988.db2.gz BUBCDJATCLZCGR-QAPCUYQASA-N 2 0 360.477 3.709 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435382151 943371028 /nfs/dbraw/zinc/37/10/28/943371028.db2.gz ZTNMNOZPNSJYKW-NQIIRXRSSA-N 2 0 360.505 3.768 20 0 FHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423030787 943371485 /nfs/dbraw/zinc/37/14/85/943371485.db2.gz WHQZASZUVFNDNP-NXEZZACHSA-N 2 0 369.225 3.562 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423030789 943371528 /nfs/dbraw/zinc/37/15/28/943371528.db2.gz WHQZASZUVFNDNP-UWVGGRQHSA-N 2 0 369.225 3.562 20 0 FHADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033136 943372283 /nfs/dbraw/zinc/37/22/83/943372283.db2.gz WTCQNGZFQDGEPA-IOYVRGJCSA-N 2 0 370.468 3.747 20 0 FHADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000423033674 943372509 /nfs/dbraw/zinc/37/25/09/943372509.db2.gz OWGWMTRFRSJBQN-IPMKNSEASA-N 2 0 372.488 3.709 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423038395 943373823 /nfs/dbraw/zinc/37/38/23/943373823.db2.gz YQPNEKRTUZDVGP-IGNZVWTISA-N 2 0 353.913 3.591 20 0 FHADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414713288 943374108 /nfs/dbraw/zinc/37/41/08/943374108.db2.gz ONLHBQHBMSQJOG-DLBZAZTESA-N 2 0 358.530 3.652 20 0 FHADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000423044405 943375840 /nfs/dbraw/zinc/37/58/40/943375840.db2.gz BDTFKKDPBQSFRS-RYQLBKOJSA-N 2 0 362.315 3.941 20 0 FHADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000423054747 943376313 /nfs/dbraw/zinc/37/63/13/943376313.db2.gz UYCYDXFMFAWTAA-BHDDXSALSA-N 2 0 356.554 3.926 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071770 943382101 /nfs/dbraw/zinc/38/21/01/943382101.db2.gz OULGHYKGPCLNIW-KBXCAEBGSA-N 2 0 362.315 3.845 20 0 FHADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423073411 943382593 /nfs/dbraw/zinc/38/25/93/943382593.db2.gz RKNCGGHAEBLTDT-YTQUADARSA-N 2 0 366.933 3.766 20 0 FHADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085196 943388823 /nfs/dbraw/zinc/38/88/23/943388823.db2.gz JZOOLXCUSIARIJ-QCRHNUIXSA-N 2 0 373.507 3.692 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423092907 943391684 /nfs/dbraw/zinc/39/16/84/943391684.db2.gz DUZVXVAVZGASPI-GDLHICMESA-N 2 0 355.295 3.812 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097094 943392927 /nfs/dbraw/zinc/39/29/27/943392927.db2.gz AHHDHWPBNWAFLK-XEZPLFJOSA-N 2 0 365.871 3.981 20 0 FHADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423075992 943395099 /nfs/dbraw/zinc/39/50/99/943395099.db2.gz PWFMPCFUKZVYNW-HMNCIZAVSA-N 2 0 364.489 3.610 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423115164 943395572 /nfs/dbraw/zinc/39/55/72/943395572.db2.gz XLPFPTAMGZBVOW-MTQWCTHYSA-N 2 0 350.934 3.826 20 0 FHADRP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414717630 943397119 /nfs/dbraw/zinc/39/71/19/943397119.db2.gz UPRAKDNZHXMSJS-SFHVURJKSA-N 2 0 360.546 3.946 20 0 FHADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124322 943397518 /nfs/dbraw/zinc/39/75/18/943397518.db2.gz OHPOYGUENCPBRI-LSDHHAIUSA-N 2 0 350.304 3.723 20 0 FHADRP C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112148 943405406 /nfs/dbraw/zinc/40/54/06/943405406.db2.gz XFPMFRMUAUWKMV-DQOUOHSBSA-N 2 0 361.961 3.984 20 0 FHADRP CSc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000423144751 943406506 /nfs/dbraw/zinc/40/65/06/943406506.db2.gz HVJXEPYSEOMDBB-JLTOFOAXSA-N 2 0 358.555 3.524 20 0 FHADRP CCn1ccnc1CN(C/C=C/c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428347 943407294 /nfs/dbraw/zinc/40/72/94/943407294.db2.gz RWFPQVNHFBVZIX-AQDCRGGLSA-N 2 0 350.510 3.561 20 0 FHADRP CCCOc1c(OC)cc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000423146820 943408003 /nfs/dbraw/zinc/40/80/03/943408003.db2.gz BDMOFUMVFMQTQF-OALUTQOASA-N 2 0 370.493 3.770 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143550 943418438 /nfs/dbraw/zinc/41/84/38/943418438.db2.gz XFAVRNPRJAJURW-NQIIRXRSSA-N 3 0 366.553 3.802 20 0 FHADRP Cc1ccc(Oc2ccccc2CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000423173424 943426067 /nfs/dbraw/zinc/42/60/67/943426067.db2.gz YNYVIKXFPDIMHA-DZFGPLHGSA-N 2 0 354.494 3.672 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423179298 943428222 /nfs/dbraw/zinc/42/82/22/943428222.db2.gz LTLIMJFTYRQBHN-LLVKDONJSA-N 2 0 350.721 3.593 20 0 FHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423178864 943429222 /nfs/dbraw/zinc/42/92/22/943429222.db2.gz IVKSYSDZACXGAV-JDLLUZBXSA-N 2 0 364.489 3.644 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423213555 943433727 /nfs/dbraw/zinc/43/37/27/943433727.db2.gz NNLXZUMJZNTZCJ-QZTJIDSGSA-N 2 0 364.493 3.564 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423213556 943433815 /nfs/dbraw/zinc/43/38/15/943433815.db2.gz NNLXZUMJZNTZCJ-ROUUACIJSA-N 2 0 364.493 3.564 20 0 FHADRP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893297123 943447566 /nfs/dbraw/zinc/44/75/66/943447566.db2.gz JQWJXOARBSMZKO-CZLXLUGWSA-N 2 0 367.331 3.740 20 0 FHADRP CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414727423 943457371 /nfs/dbraw/zinc/45/73/71/943457371.db2.gz BCMZHDJBPSMHFG-HUUCEWRRSA-N 2 0 371.447 3.742 20 0 FHADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423299365 943476010 /nfs/dbraw/zinc/47/60/10/943476010.db2.gz PXYJIOOWWKWZTK-DOTOQJQBSA-N 2 0 352.544 3.571 20 0 FHADRP Clc1ccccc1[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423343921 943478115 /nfs/dbraw/zinc/47/81/15/943478115.db2.gz MHQCUOQAMJDMTK-OAQYLSRUSA-N 2 0 370.880 3.710 20 0 FHADRP CC1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423346101 943478502 /nfs/dbraw/zinc/47/85/02/943478502.db2.gz ZHRLSOSGGXSUFN-HNNXBMFYSA-N 2 0 353.304 3.642 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1[C@@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423332369 943482066 /nfs/dbraw/zinc/48/20/66/943482066.db2.gz VAOGXVZWDILZKH-AWEZNQCLSA-N 2 0 363.221 3.728 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000584718711 943482058 /nfs/dbraw/zinc/48/20/58/943482058.db2.gz ZNFGLYICBBXVFM-FGSXEWAUSA-N 2 0 365.521 3.831 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423356793 943489013 /nfs/dbraw/zinc/48/90/13/943489013.db2.gz KQFPBVMHXYDTAO-GOSISDBHSA-N 2 0 353.510 3.691 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)[C@@H](C)C1 ZINC000417303093 943496316 /nfs/dbraw/zinc/49/63/16/943496316.db2.gz DEQWXVGMYCAWAC-FKSLSLAPSA-N 2 0 350.572 3.967 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)[C@@H](C)C1 ZINC000417303086 943496704 /nfs/dbraw/zinc/49/67/04/943496704.db2.gz DEQWXVGMYCAWAC-APAFKAMOSA-N 2 0 350.572 3.967 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000423383817 943497190 /nfs/dbraw/zinc/49/71/90/943497190.db2.gz PQDBOMXYSCSSFO-BPXKWBHBSA-N 2 0 354.494 3.718 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2ccccc2OCc2ccccc2)CC[NH2+]CC1 ZINC000423388764 943498709 /nfs/dbraw/zinc/49/87/09/943498709.db2.gz LASJKFGGJDPQLD-LJQANCHMSA-N 2 0 368.521 3.932 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423399714 943503261 /nfs/dbraw/zinc/50/32/61/943503261.db2.gz PVVPXZDNJBYAPY-XGHQBKJUSA-N 2 0 364.493 3.562 20 0 FHADRP COCC1(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423400521 943503271 /nfs/dbraw/zinc/50/32/71/943503271.db2.gz FOSJGWMFWJRBPW-OAQYLSRUSA-N 2 0 372.484 3.530 20 0 FHADRP COCC1(C[NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC[NH2+]CC1 ZINC000423405544 943508167 /nfs/dbraw/zinc/50/81/67/943508167.db2.gz JPFCUZBHYJBCAN-JOCHJYFZSA-N 2 0 352.522 3.999 20 0 FHADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423412158 943510362 /nfs/dbraw/zinc/51/03/62/943510362.db2.gz WIDALZQPHLKTMR-MRXNPFEDSA-N 2 0 360.420 3.642 20 0 FHADRP COCC1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC[NH2+]CC1 ZINC000423412327 943510563 /nfs/dbraw/zinc/51/05/63/943510563.db2.gz WPQLAYSNLMITCX-HNNXBMFYSA-N 2 0 373.360 3.568 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417320138 943513448 /nfs/dbraw/zinc/51/34/48/943513448.db2.gz IYVLMKIYGZLCNX-LSTHTHJFSA-N 2 0 356.535 3.862 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435616907 943516971 /nfs/dbraw/zinc/51/69/71/943516971.db2.gz UPDHAHVEYZJGMW-NRFANRHFSA-N 2 0 351.494 3.903 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423464139 943523134 /nfs/dbraw/zinc/52/31/34/943523134.db2.gz GRPDCWBEKPBRPR-BJJXKVORSA-N 2 0 353.304 3.770 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000423468242 943524165 /nfs/dbraw/zinc/52/41/65/943524165.db2.gz JSWFUYGXCDTYHD-JRGCBEDISA-N 2 0 357.448 3.794 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)COC2 ZINC000423470535 943524178 /nfs/dbraw/zinc/52/41/78/943524178.db2.gz LFPUMNPANKVEOQ-GJULWVSJSA-N 2 0 354.469 3.900 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000423476782 943526420 /nfs/dbraw/zinc/52/64/20/943526420.db2.gz RLCDZFLUKTYQDT-XJKCOSOUSA-N 2 0 353.304 3.770 20 0 FHADRP CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435630266 943528808 /nfs/dbraw/zinc/52/88/08/943528808.db2.gz ZXCVPGYEYKFROQ-HNNXBMFYSA-N 2 0 368.403 3.719 20 0 FHADRP Clc1cccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423452966 943528924 /nfs/dbraw/zinc/52/89/24/943528924.db2.gz ZTBCZLCUERYHJQ-PWRODBHTSA-N 2 0 355.913 3.997 20 0 FHADRP Fc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423500990 943530314 /nfs/dbraw/zinc/53/03/14/943530314.db2.gz CKIFWFZMLRHQTQ-XPPIMPSXSA-N 2 0 367.512 3.721 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)sc1Cl ZINC000423503755 943531075 /nfs/dbraw/zinc/53/10/75/943531075.db2.gz FZXRHAIPXNTUPF-PNESKVBLSA-N 2 0 362.370 3.922 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccccc1 ZINC000423506852 943531781 /nfs/dbraw/zinc/53/17/81/943531781.db2.gz PNRDVXFTJKHMKE-WWAKMMQFSA-N 2 0 363.505 3.889 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C3)cc1 ZINC000423507431 943532277 /nfs/dbraw/zinc/53/22/77/943532277.db2.gz IOZUJEGEFUMTMH-VHJOFQCFSA-N 2 0 361.533 3.527 20 0 FHADRP Cc1ccccc1COc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423507211 943532328 /nfs/dbraw/zinc/53/23/28/943532328.db2.gz HUDCBXVJYSIYHD-XMSQKQJNSA-N 2 0 354.494 3.603 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423507379 943532437 /nfs/dbraw/zinc/53/24/37/943532437.db2.gz QAAXOPOCFWGEOR-YADARESESA-N 2 0 365.565 3.934 20 0 FHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423486666 943533818 /nfs/dbraw/zinc/53/38/18/943533818.db2.gz BUZHSSGFEYQAIH-BZSNNMDCSA-N 2 0 356.432 3.700 20 0 FHADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423490980 943535875 /nfs/dbraw/zinc/53/58/75/943535875.db2.gz YGWCLCLGYHJGFR-SJLPKXTDSA-N 2 0 364.555 3.586 20 0 FHADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423529904 943538679 /nfs/dbraw/zinc/53/86/79/943538679.db2.gz QMLJJYCCVAHONT-OOZNNRCISA-N 2 0 362.558 3.632 20 0 FHADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512143 943542053 /nfs/dbraw/zinc/54/20/53/943542053.db2.gz OFIUNCBABXEZPM-AOCRQIFASA-N 2 0 355.526 3.862 20 0 FHADRP COc1cc([C@H](C)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc(OC)c1OC ZINC000423516645 943542756 /nfs/dbraw/zinc/54/27/56/943542756.db2.gz AYJOCHVZWXYUBJ-BQWSTDTNSA-N 2 0 374.525 3.517 20 0 FHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423516615 943543096 /nfs/dbraw/zinc/54/30/96/943543096.db2.gz AVULKJJPRQGJSP-CRGYJSLOSA-N 2 0 359.602 3.773 20 0 FHADRP Fc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CCCC2)cc1 ZINC000423522282 943545803 /nfs/dbraw/zinc/54/58/03/943545803.db2.gz ULQYPPZOCGUEGQ-LZBANZJXSA-N 2 0 359.533 3.863 20 0 FHADRP CCOc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423543977 943552589 /nfs/dbraw/zinc/55/25/89/943552589.db2.gz CARYANHEQYAFPI-IBGZPJMESA-N 2 0 367.537 3.729 20 0 FHADRP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423549091 943554891 /nfs/dbraw/zinc/55/48/91/943554891.db2.gz RSPFLHZMWSTTCX-UKAVVXHISA-N 2 0 355.913 3.997 20 0 FHADRP Brc1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)s1 ZINC000423555621 943556473 /nfs/dbraw/zinc/55/64/73/943556473.db2.gz YEWKLYBBPFSEGS-BRXULGCHSA-N 2 0 355.345 3.939 20 0 FHADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423574339 943561022 /nfs/dbraw/zinc/56/10/22/943561022.db2.gz PIYQEGCMAYKGJV-NRFANRHFSA-N 2 0 373.491 3.999 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435730453 943573817 /nfs/dbraw/zinc/57/38/17/943573817.db2.gz HBLIFUBBHFJRHT-HXUWFJFHSA-N 2 0 358.530 3.667 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000638131541 943604024 /nfs/dbraw/zinc/60/40/24/943604024.db2.gz KKVOOCBHJFRKCO-UHFFFAOYSA-N 2 0 355.473 3.590 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000423986422 943673879 /nfs/dbraw/zinc/67/38/79/943673879.db2.gz XZVMQNIZXVUSTA-LEWJYISDSA-N 2 0 357.542 3.523 20 0 FHADRP CC(C)CC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000424018139 943688812 /nfs/dbraw/zinc/68/88/12/943688812.db2.gz IPUBZIFZTLKLMC-UHFFFAOYSA-N 2 0 371.569 3.703 20 0 FHADRP CC[C@H](CC1CCCC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021927 943690216 /nfs/dbraw/zinc/69/02/16/943690216.db2.gz SJTDCDZFFDQZOI-OAQYLSRUSA-N 2 0 371.569 3.703 20 0 FHADRP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000584831325 943710100 /nfs/dbraw/zinc/71/01/00/943710100.db2.gz PFLGOAFYBROZDA-IBGZPJMESA-N 2 0 372.940 3.713 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000424136675 943748340 /nfs/dbraw/zinc/74/83/40/943748340.db2.gz NYTNWFKZGFLRKE-IRXDYDNUSA-N 2 0 351.560 3.545 20 0 FHADRP [NH3+][C@H](CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178779 943762380 /nfs/dbraw/zinc/76/23/80/943762380.db2.gz WVISLVKNSCUXSR-SFHLNBCPSA-N 2 0 361.574 3.540 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC12CCOCC2 ZINC000414777381 943784532 /nfs/dbraw/zinc/78/45/32/943784532.db2.gz IFDWMJJFLBGSDC-HXUWFJFHSA-N 2 0 354.469 3.680 20 0 FHADRP [NH3+][C@@H](CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)CC1CCCCC1 ZINC000424202310 943785718 /nfs/dbraw/zinc/78/57/18/943785718.db2.gz SRSVMMQGFKNPAO-INIZCTEOSA-N 2 0 364.559 3.627 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CC12CCOCC2 ZINC000414778892 943793391 /nfs/dbraw/zinc/79/33/91/943793391.db2.gz JNANTHATRQNFIQ-MRXNPFEDSA-N 2 0 360.498 3.742 20 0 FHADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000584869022 943821650 /nfs/dbraw/zinc/82/16/50/943821650.db2.gz RXCCSBUKWNIQEM-FPOVZHCZSA-N 2 0 367.537 3.913 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OCc3ccncc3)cc1)CC[NH2+]CC2 ZINC000424295923 943825148 /nfs/dbraw/zinc/82/51/48/943825148.db2.gz RRIKLNMGXGSHML-SFHVURJKSA-N 2 0 351.494 3.625 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)cc1F ZINC000424296810 943826445 /nfs/dbraw/zinc/82/64/45/943826445.db2.gz SIFWKYYAZBWNLS-INIZCTEOSA-N 2 0 372.488 3.581 20 0 FHADRP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284161 943836869 /nfs/dbraw/zinc/83/68/69/943836869.db2.gz CVSHRSFNPRWAEO-OAHLLOKOSA-N 2 0 356.466 3.574 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417705787 943841182 /nfs/dbraw/zinc/84/11/82/943841182.db2.gz NYHBWLOHJXSLCR-CMKODMSKSA-N 2 0 374.573 3.522 20 0 FHADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OCc1ccc(F)cc1 ZINC000414906123 943844469 /nfs/dbraw/zinc/84/44/69/943844469.db2.gz OUXSWCAWPAQEKH-LJQANCHMSA-N 2 0 358.457 3.645 20 0 FHADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782762 943844761 /nfs/dbraw/zinc/84/47/61/943844761.db2.gz OUHOEWRCMUYSOU-GJZGRUSLSA-N 2 0 354.441 3.508 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)C[C@@H](C)O1 ZINC000424306230 943853117 /nfs/dbraw/zinc/85/31/17/943853117.db2.gz USOSHOLRBXGFFT-GGPKGHCWSA-N 2 0 373.566 3.906 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000516970679 943870741 /nfs/dbraw/zinc/87/07/41/943870741.db2.gz YYYYEGPEEJCGKZ-FCHUYYIVSA-N 2 0 366.553 3.678 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000417804706 943884503 /nfs/dbraw/zinc/88/45/03/943884503.db2.gz XXKRNPKYSRHGBV-WOJBJXKFSA-N 2 0 353.510 3.652 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(N(C)c3ccccc3)nc1)CC[NH2+]CC2 ZINC000424375077 943885890 /nfs/dbraw/zinc/88/58/90/943885890.db2.gz JHHZKNPQNVGHPB-SFHVURJKSA-N 2 0 350.510 3.814 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417842651 943898775 /nfs/dbraw/zinc/89/87/75/943898775.db2.gz OKQVHOUJLQOWNQ-UHFFFAOYSA-N 2 0 353.510 3.520 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000417868665 943910317 /nfs/dbraw/zinc/91/03/17/943910317.db2.gz CTWDTGGFXFVWNK-RXVVDRJESA-N 2 0 374.573 3.577 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000417868667 943910358 /nfs/dbraw/zinc/91/03/58/943910358.db2.gz CTWDTGGFXFVWNK-WIYYLYMNSA-N 2 0 374.573 3.577 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424429454 943923763 /nfs/dbraw/zinc/92/37/63/943923763.db2.gz XAKMPORTEJEMJU-ZWKOTPCHSA-N 2 0 366.509 3.580 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000424433917 943928007 /nfs/dbraw/zinc/92/80/07/943928007.db2.gz JFMABLPQJLXXBY-QGZVFWFLSA-N 2 0 366.509 3.801 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000424436714 943928700 /nfs/dbraw/zinc/92/87/00/943928700.db2.gz MTFUQBSIYUWSNQ-NRFANRHFSA-N 2 0 366.509 3.582 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424435090 943929097 /nfs/dbraw/zinc/92/90/97/943929097.db2.gz KRAKJWANALLKRV-SFHVURJKSA-N 2 0 366.509 3.582 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CC12CCOCC2 ZINC000414789782 943934426 /nfs/dbraw/zinc/93/44/26/943934426.db2.gz OOMQNNVDQDQMCK-MRXNPFEDSA-N 2 0 360.498 3.742 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414792438 943947127 /nfs/dbraw/zinc/94/71/27/943947127.db2.gz CIEOKAPFJUAZCT-DGCLKSJQSA-N 2 0 363.246 3.658 20 0 FHADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000515565895 943997844 /nfs/dbraw/zinc/99/78/44/943997844.db2.gz WLSGGBFUJHXJQT-IBGZPJMESA-N 2 0 359.558 3.525 20 0 FHADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC(C)(C)[NH3+] ZINC000414811725 944082012 /nfs/dbraw/zinc/08/20/12/944082012.db2.gz ZXLZIOMGZREPGC-LBPRGKRZSA-N 2 0 351.288 3.697 20 0 FHADRP CCOc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000515649891 944093452 /nfs/dbraw/zinc/09/34/52/944093452.db2.gz GAPGDHSIXDUJCC-HNNXBMFYSA-N 2 0 354.441 3.508 20 0 FHADRP CC(=O)Nc1cccc(CN(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000517202814 944100733 /nfs/dbraw/zinc/10/07/33/944100733.db2.gz ZPXRSGZDALUWFS-LJQANCHMSA-N 2 0 371.550 3.969 20 0 FHADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000162562329 944100673 /nfs/dbraw/zinc/10/06/73/944100673.db2.gz UJPAAIHGTUFDCM-OAQYLSRUSA-N 2 0 354.494 3.803 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814965 944121947 /nfs/dbraw/zinc/12/19/47/944121947.db2.gz ZQAKBCGYHJFVNK-SJLPKXTDSA-N 2 0 360.523 3.943 20 0 FHADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436286115 944164576 /nfs/dbraw/zinc/16/45/76/944164576.db2.gz ARKDZTUFELEFNV-BIXGBWIQSA-N 2 0 350.547 3.885 20 0 FHADRP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000515755669 944183060 /nfs/dbraw/zinc/18/30/60/944183060.db2.gz YORQWGIAYPRPPY-RBUKOAKNSA-N 2 0 359.558 3.701 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756126 944184716 /nfs/dbraw/zinc/18/47/16/944184716.db2.gz MAWQUWWFECRADR-VQTJNVASSA-N 2 0 371.569 3.798 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414918185 944221231 /nfs/dbraw/zinc/22/12/31/944221231.db2.gz SVUKPZOXDUTWAG-JOCHJYFZSA-N 2 0 370.541 3.793 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)c2)cc1 ZINC000414975138 944245431 /nfs/dbraw/zinc/24/54/31/944245431.db2.gz OLOWOHMDCLXOLA-IBGZPJMESA-N 2 0 367.493 3.569 20 0 FHADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000515851445 944274543 /nfs/dbraw/zinc/27/45/43/944274543.db2.gz PDNHPQKBEBPAOA-SFHVURJKSA-N 2 0 361.530 3.773 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000517429037 944289207 /nfs/dbraw/zinc/28/92/07/944289207.db2.gz LINMPYZUCKBCRC-CTNGQTDRSA-N 2 0 353.510 3.523 20 0 FHADRP CN(c1ccccc1C[N@H+](C)C1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000511656100 944312833 /nfs/dbraw/zinc/31/28/33/944312833.db2.gz LHYUPVNHUMTQFH-UHFFFAOYSA-N 2 0 363.549 3.816 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000439083495 944322430 /nfs/dbraw/zinc/32/24/30/944322430.db2.gz GWITXZDKGKLLIN-IRXDYDNUSA-N 2 0 361.530 3.816 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426285655 944356607 /nfs/dbraw/zinc/35/66/07/944356607.db2.gz CIFCJCAMKWEUSV-TYPHKJRUSA-N 2 0 367.512 3.905 20 0 FHADRP Cc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000517537076 944367660 /nfs/dbraw/zinc/36/76/60/944367660.db2.gz CXIFGZZOUDEUIX-JOCHJYFZSA-N 2 0 355.501 3.603 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000426300206 944397492 /nfs/dbraw/zinc/39/74/92/944397492.db2.gz CULWSTPKWYPPLS-GUDVDZBRSA-N 2 0 370.566 3.704 20 0 FHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000550200153 944402102 /nfs/dbraw/zinc/40/21/02/944402102.db2.gz AESQDEBXHKPRFB-AWEZNQCLSA-N 2 0 355.295 3.752 20 0 FHADRP COc1cccc2c1SC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167977835 944430516 /nfs/dbraw/zinc/43/05/16/944430516.db2.gz GCFJTDZIJYHTPP-MSRNWOCLSA-N 2 0 358.551 3.707 20 0 FHADRP c1ccc(C[NH+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167963923 944430976 /nfs/dbraw/zinc/43/09/76/944430976.db2.gz IHHLZBOFMCJBHD-XALAGWIPSA-N 2 0 367.581 3.894 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@@H+]1C ZINC000426325462 944447019 /nfs/dbraw/zinc/44/70/19/944447019.db2.gz VBTFDHCTVZCTOD-CABCVRRESA-N 2 0 351.332 3.943 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000418362166 944468481 /nfs/dbraw/zinc/46/84/81/944468481.db2.gz VALILDOKILBUMG-NRFANRHFSA-N 2 0 374.573 3.573 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000426332718 944473708 /nfs/dbraw/zinc/47/37/08/944473708.db2.gz XFDMTIQQBBVYLH-YQQQUEKLSA-N 2 0 370.566 3.989 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949899 944484321 /nfs/dbraw/zinc/48/43/21/944484321.db2.gz FVGNGXBIODMUTL-UHFFFAOYSA-N 2 0 358.917 3.718 20 0 FHADRP COc1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000516117319 944502215 /nfs/dbraw/zinc/50/22/15/944502215.db2.gz ASZYNRFRSJXFDC-HNNXBMFYSA-N 2 0 367.331 3.621 20 0 FHADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](CCO)c1ccccc1 ZINC000093442825 944606212 /nfs/dbraw/zinc/60/62/12/944606212.db2.gz HASOIPWGIBNULG-HSZRJFAPSA-N 2 0 368.521 3.717 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418443909 944607837 /nfs/dbraw/zinc/60/78/37/944607837.db2.gz LMPAEBQCBOGMQK-UHFFFAOYSA-N 2 0 374.573 3.592 20 0 FHADRP CC[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3CCCO[C@H](CC)C3)cc2)CCCO1 ZINC000439469974 944648102 /nfs/dbraw/zinc/64/81/02/944648102.db2.gz BMUVVQLQSACWLK-FGZHOGPDSA-N 2 0 360.542 3.688 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000517867072 944744860 /nfs/dbraw/zinc/74/48/60/944744860.db2.gz INLAQQDPMAKJMD-PZJWPPBQSA-N 2 0 369.509 3.616 20 0 FHADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)s1 ZINC000366697956 944793200 /nfs/dbraw/zinc/79/32/00/944793200.db2.gz RCLJMJNHXXIQIO-QSFXBCCZSA-N 2 0 373.566 3.984 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000516397494 944794639 /nfs/dbraw/zinc/79/46/39/944794639.db2.gz JRSXUCSNUORWLI-LJQANCHMSA-N 2 0 357.542 3.667 20 0 FHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571082 944806852 /nfs/dbraw/zinc/80/68/52/944806852.db2.gz UEQSHVHDPQCLOU-JOCHJYFZSA-N 2 0 369.553 3.696 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000500417403 944839356 /nfs/dbraw/zinc/83/93/56/944839356.db2.gz STYADPXMFYKNHL-NRFANRHFSA-N 2 0 358.526 3.600 20 0 FHADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1cccc(Cl)c1 ZINC000516454436 944878348 /nfs/dbraw/zinc/87/83/48/944878348.db2.gz PXAOSGXBZOJLDI-HXUWFJFHSA-N 2 0 350.934 3.630 20 0 FHADRP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCC[NH3+] ZINC000414897477 944976572 /nfs/dbraw/zinc/97/65/72/944976572.db2.gz BVFIVMRDSTTWTR-UHFFFAOYSA-N 2 0 365.319 3.587 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414945431 944989690 /nfs/dbraw/zinc/98/96/90/944989690.db2.gz IHNKWQHRXFSYML-JXFKEZNVSA-N 2 0 364.468 3.909 20 0 FHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415004899 944990396 /nfs/dbraw/zinc/99/03/96/944990396.db2.gz AIPZWEUJFGXVLX-AGIUHOORSA-N 2 0 351.288 3.695 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414947182 945004390 /nfs/dbraw/zinc/00/43/90/945004390.db2.gz VLJFEMYWSNRTGW-GCJKJVERSA-N 2 0 360.505 3.935 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000518085493 945006348 /nfs/dbraw/zinc/00/63/48/945006348.db2.gz MOSDIWHTJAYANQ-RTBURBONSA-N 2 0 374.573 3.543 20 0 FHADRP C[C@]1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCC[NH2+]C1 ZINC000414898124 945020878 /nfs/dbraw/zinc/02/08/78/945020878.db2.gz GAQJUOHHPLUQSM-HNNXBMFYSA-N 2 0 363.246 3.530 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000437106074 945027407 /nfs/dbraw/zinc/02/74/07/945027407.db2.gz FYSDLBPTDYHICM-OALUTQOASA-N 2 0 367.537 3.586 20 0 FHADRP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](C/C=C\c1ccncc1)CC2 ZINC000426167038 945057769 /nfs/dbraw/zinc/05/77/69/945057769.db2.gz INLBLHJNTJSXJN-LHRDXKRPSA-N 2 0 354.523 3.538 20 0 FHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000280960137 945479539 /nfs/dbraw/zinc/47/95/39/945479539.db2.gz USDDARRQGNIEGU-NIKGAXFTSA-N 2 0 370.459 3.604 20 0 FHADRP C[C@@H](CCc1ccccc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000519498368 945490878 /nfs/dbraw/zinc/49/08/78/945490878.db2.gz FJLCXKUWAIUYEC-QFIPXVFZSA-N 2 0 365.565 3.757 20 0 FHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000281018794 945495136 /nfs/dbraw/zinc/49/51/36/945495136.db2.gz XKFSURXEFDLTQA-ULQDDVLXSA-N 2 0 350.934 3.923 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000415021306 945503995 /nfs/dbraw/zinc/50/39/95/945503995.db2.gz KMYRIXZHRTZMQM-GXFFZTMASA-N 2 0 358.326 3.776 20 0 FHADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061028 945514201 /nfs/dbraw/zinc/51/42/01/945514201.db2.gz XRFALEPZKZUIAX-FHERZECASA-N 2 0 370.368 3.730 20 0 FHADRP CCCC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000511885819 945562662 /nfs/dbraw/zinc/56/26/62/945562662.db2.gz RCCHWOZRAIECIO-UHFFFAOYSA-N 2 0 357.542 3.665 20 0 FHADRP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000281271394 945577818 /nfs/dbraw/zinc/57/78/18/945577818.db2.gz HLXCXGQGIJWQLN-QGZVFWFLSA-N 2 0 373.520 3.514 20 0 FHADRP CCc1ccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000044292018 945586025 /nfs/dbraw/zinc/58/60/25/945586025.db2.gz HJHAMTGBVDRBGS-NRFANRHFSA-N 2 0 368.525 3.735 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cc2cnccc2o1 ZINC000651679765 945633559 /nfs/dbraw/zinc/63/35/59/945633559.db2.gz NUSPZWCTAHRCOC-UHFFFAOYSA-N 2 0 353.466 3.838 20 0 FHADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000281513450 945673315 /nfs/dbraw/zinc/67/33/15/945673315.db2.gz XNXPVGLARHJFDA-ROUUACIJSA-N 2 0 370.541 3.671 20 0 FHADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000111241070 945864137 /nfs/dbraw/zinc/86/41/37/945864137.db2.gz JPIAZIVSPXJOMG-UHFFFAOYSA-N 2 0 355.885 3.614 20 0 FHADRP CCC[C@@](C)([NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757891 945892412 /nfs/dbraw/zinc/89/24/12/945892412.db2.gz MJMYVUAQJIZENZ-NZQKXSOJSA-N 2 0 371.569 3.653 20 0 FHADRP CCCc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000301777597 945961391 /nfs/dbraw/zinc/96/13/91/945961391.db2.gz HHKPUCUBDMGYIW-UHFFFAOYSA-N 2 0 353.510 3.736 20 0 FHADRP C[C@@H]1CC(N2CC[NH+](C3CCCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051019 945969317 /nfs/dbraw/zinc/96/93/17/945969317.db2.gz FGQFLCOOOPBXQL-WOJBJXKFSA-N 2 0 355.570 3.988 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000302059121 946101473 /nfs/dbraw/zinc/10/14/73/946101473.db2.gz RKAIBLIJLMKGIB-SFHVURJKSA-N 2 0 353.510 3.654 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000520094543 946111983 /nfs/dbraw/zinc/11/19/83/946111983.db2.gz HKSAJJMRUCAXIJ-JOCHJYFZSA-N 2 0 371.569 3.525 20 0 FHADRP Cc1ccc(C)c(OCCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000441078619 946181098 /nfs/dbraw/zinc/18/10/98/946181098.db2.gz WTSFHFNQYNBBGZ-UHFFFAOYSA-N 2 0 373.585 3.563 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000045865021 946215399 /nfs/dbraw/zinc/21/53/99/946215399.db2.gz GIRBCBPXWYXGCY-UHFFFAOYSA-N 2 0 374.573 3.637 20 0 FHADRP CSC1(C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC[NH+](C)CC1 ZINC000520212477 946277167 /nfs/dbraw/zinc/27/71/67/946277167.db2.gz MSHREOCGECDVRM-QGZVFWFLSA-N 2 0 363.527 3.648 20 0 FHADRP C[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000302860152 946356040 /nfs/dbraw/zinc/35/60/40/946356040.db2.gz UOQCJRBZCCDOCY-KRWDZBQOSA-N 2 0 363.461 3.530 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652150118 946383578 /nfs/dbraw/zinc/38/35/78/946383578.db2.gz MHQQAHGCSSDQMI-WMZOPIPTSA-N 2 0 364.530 3.874 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2CNc2[nH+]ccn2CC(C)C)CC1 ZINC000508487057 946456885 /nfs/dbraw/zinc/45/68/85/946456885.db2.gz FWQLHNUUSKLGQZ-UHFFFAOYSA-N 2 0 355.530 3.683 20 0 FHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000475197199 946703710 /nfs/dbraw/zinc/70/37/10/946703710.db2.gz XMEWOVDZCSSNGU-IKGGRYGDSA-N 2 0 361.555 3.879 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C)CCC(OC)CC2)CC1 ZINC000475206270 946719961 /nfs/dbraw/zinc/71/99/61/946719961.db2.gz BVXAKCMCFGBLQD-UHFFFAOYSA-N 2 0 359.558 3.513 20 0 FHADRP CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000665821485 946759776 /nfs/dbraw/zinc/75/97/76/946759776.db2.gz NRCHZLYYAJUOMR-OAQYLSRUSA-N 2 0 372.557 3.663 20 0 FHADRP C[C@@H]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655720131 946766082 /nfs/dbraw/zinc/76/60/82/946766082.db2.gz ZWEDZJAXPVMUQT-QUCCMNQESA-N 2 0 362.583 3.931 20 0 FHADRP c1ccc(CN2CCCO[C@H](C[N@@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877815 946811166 /nfs/dbraw/zinc/81/11/66/946811166.db2.gz ZMNQRIACFCTGGG-VABKMULXSA-N 2 0 372.553 3.559 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288371 946826635 /nfs/dbraw/zinc/82/66/35/946826635.db2.gz SKTHXLPDFIGIPW-QDSKXPNFSA-N 2 0 363.549 3.619 20 0 FHADRP CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995091 946892312 /nfs/dbraw/zinc/89/23/12/946892312.db2.gz VQZPWHSDGAHIRX-VDNRPAQBSA-N 2 0 367.581 3.988 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3cccc4ccccc43)C2)C1 ZINC000652348595 946893679 /nfs/dbraw/zinc/89/36/79/946893679.db2.gz JIFXUOVZGFREPS-XPNTWCBSSA-N 2 0 352.522 3.991 20 0 FHADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000182612221 946905663 /nfs/dbraw/zinc/90/56/63/946905663.db2.gz DVLYDPLFHPNRAS-HNNXBMFYSA-N 2 0 352.544 3.670 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994676 946912748 /nfs/dbraw/zinc/91/27/48/946912748.db2.gz KBEPLRFMCXFYGZ-QUFMSWDXSA-N 2 0 353.554 3.771 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360962 946928551 /nfs/dbraw/zinc/92/85/51/946928551.db2.gz VCLDWXKNUONHKV-NXHRZFHOSA-N 2 0 354.947 3.793 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000543875282 946976297 /nfs/dbraw/zinc/97/62/97/946976297.db2.gz RODQLPHNPKJTFD-OALUTQOASA-N 2 0 351.579 3.610 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)CC1 ZINC000520433052 946984285 /nfs/dbraw/zinc/98/42/85/946984285.db2.gz CUFVSHNQRQMSQY-LEWJYISDSA-N 2 0 358.526 3.880 20 0 FHADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647978612 946984802 /nfs/dbraw/zinc/98/48/02/946984802.db2.gz VUFLCMMXLTZRTE-DLBZAZTESA-N 2 0 374.916 3.644 20 0 FHADRP c1csc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)c1 ZINC000444590234 947016929 /nfs/dbraw/zinc/01/69/29/947016929.db2.gz LTGJNCIUTREJCV-UHFFFAOYSA-N 2 0 356.535 3.959 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000124572375 947119922 /nfs/dbraw/zinc/11/99/22/947119922.db2.gz SDIUQDRBYDTRPA-LJQANCHMSA-N 2 0 369.484 3.786 20 0 FHADRP CC[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000192987704 947134079 /nfs/dbraw/zinc/13/40/79/947134079.db2.gz MAZOTSFICWMWLD-GMAHTHKFSA-N 2 0 357.586 3.918 20 0 FHADRP COc1ccccc1O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167996154 947160331 /nfs/dbraw/zinc/16/03/31/947160331.db2.gz XUQZNZVSKMNWMU-JIRNRHONSA-N 2 0 356.510 3.554 20 0 FHADRP c1csc(C[NH+]2CCC(CNc3cc(N4CCCCC4)ncn3)CC2)c1 ZINC000301246458 947249463 /nfs/dbraw/zinc/24/94/63/947249463.db2.gz OFDBWXGXUVJNFC-UHFFFAOYSA-N 2 0 371.554 3.853 20 0 FHADRP C[NH+](C)C1CCN(CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000125837526 947300152 /nfs/dbraw/zinc/30/01/52/947300152.db2.gz DTFARPIFRVKMTI-UHFFFAOYSA-N 2 0 366.431 3.692 20 0 FHADRP C[C@H]1CC([NH+]2CCC(C(C)(C)C(N)=O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065908 947315828 /nfs/dbraw/zinc/31/58/28/947315828.db2.gz YZWNJKSRBOHTJL-ROUUACIJSA-N 2 0 371.569 3.652 20 0 FHADRP Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000663188209 947331638 /nfs/dbraw/zinc/33/16/38/947331638.db2.gz DFZMBPFCXQJMQQ-JOCHJYFZSA-N 2 0 364.537 3.908 20 0 FHADRP CC1(C)C[N@H+](CCC2(O)CCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663217213 947434434 /nfs/dbraw/zinc/43/44/34/947434434.db2.gz GLCYAGMCIHANMW-OAQYLSRUSA-N 2 0 356.554 3.914 20 0 FHADRP Fc1cccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)c1 ZINC000662253333 947674339 /nfs/dbraw/zinc/67/43/39/947674339.db2.gz JCWUIDBQJCTCOF-OAQYLSRUSA-N 2 0 354.469 3.653 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000189343970 947694695 /nfs/dbraw/zinc/69/46/95/947694695.db2.gz DEMUWBYHPKAYHN-UTKZUKDTSA-N 2 0 355.526 3.770 20 0 FHADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274747 947698095 /nfs/dbraw/zinc/69/80/95/947698095.db2.gz WROCSANSXBNTON-MSOLQXFVSA-N 2 0 355.482 3.562 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000523876672 947700855 /nfs/dbraw/zinc/70/08/55/947700855.db2.gz OTGBYBSVDNMPHF-LJQANCHMSA-N 2 0 374.573 3.592 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000662280928 947701505 /nfs/dbraw/zinc/70/15/05/947701505.db2.gz IEOSVKIUZCPYJN-FUHWJXTLSA-N 2 0 354.947 3.650 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290860 947712184 /nfs/dbraw/zinc/71/21/84/947712184.db2.gz MDKPREJSBDZOFP-RDJZCZTQSA-N 2 0 363.933 3.687 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662290904 947712255 /nfs/dbraw/zinc/71/22/55/947712255.db2.gz MTQHIFILECUPFK-QUCCMNQESA-N 2 0 357.542 3.650 20 0 FHADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)co2)cc1 ZINC000662290778 947712419 /nfs/dbraw/zinc/71/24/19/947712419.db2.gz KHHRYLIVQADKFD-GOSISDBHSA-N 2 0 355.482 3.562 20 0 FHADRP c1ccc(-n2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c3c2CCC3)cc1 ZINC000662293326 947716295 /nfs/dbraw/zinc/71/62/95/947716295.db2.gz QLEUDYSMLGHQPC-LJQANCHMSA-N 2 0 364.537 3.573 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1CCC[NH3+] ZINC000662311980 947736316 /nfs/dbraw/zinc/73/63/16/947736316.db2.gz FCOWNQHAPSESEW-DYESRHJHSA-N 2 0 352.526 3.700 20 0 FHADRP CCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000662315893 947744382 /nfs/dbraw/zinc/74/43/82/947744382.db2.gz VADOMPHENLVPFD-MBOZVWFJSA-N 2 0 363.521 3.575 20 0 FHADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2cccc3ccccc32)CCO1 ZINC000662320552 947749444 /nfs/dbraw/zinc/74/94/44/947749444.db2.gz CFLHTLZENKSGLJ-FQEVSTJZSA-N 2 0 356.510 3.651 20 0 FHADRP COc1cccc([C@H](C)[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662326949 947758684 /nfs/dbraw/zinc/75/86/84/947758684.db2.gz HTHKPPJOIRIENK-INIZCTEOSA-N 2 0 368.525 3.826 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662378307 947773699 /nfs/dbraw/zinc/77/36/99/947773699.db2.gz LVKGKOSCIGWHEO-OAQYLSRUSA-N 2 0 367.493 3.580 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000662412009 947783999 /nfs/dbraw/zinc/78/39/99/947783999.db2.gz ZPTGDZJBPXCEKQ-RBBKRZOGSA-N 2 0 365.521 3.618 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347591 947820735 /nfs/dbraw/zinc/82/07/35/947820735.db2.gz PNSOFVVGUXSPDX-INIZCTEOSA-N 2 0 354.441 3.508 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]CCC(=O)N(C)c3ccccc3)CC2)CC1 ZINC000663360776 947848550 /nfs/dbraw/zinc/84/85/50/947848550.db2.gz UGQYPCOFONORPS-UHFFFAOYSA-N 2 0 357.542 3.672 20 0 FHADRP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503450 947873500 /nfs/dbraw/zinc/87/35/00/947873500.db2.gz UISGBFOBUSEULT-FXAWDEMLSA-N 2 0 363.505 3.587 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1)C(C)C ZINC000662598838 947924830 /nfs/dbraw/zinc/92/48/30/947924830.db2.gz ZNOMTKWGFNKLPF-JOCHJYFZSA-N 2 0 371.569 3.769 20 0 FHADRP C[C@H]([NH3+])c1nc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cs1 ZINC000900000254 948000019 /nfs/dbraw/zinc/00/00/19/948000019.db2.gz ZGWNRJDCDSSGIB-ZDUSSCGKSA-N 2 0 369.494 3.866 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663467075 948057007 /nfs/dbraw/zinc/05/70/07/948057007.db2.gz CTEFGUVHFKUCAO-UEVCKROQSA-N 2 0 355.570 3.609 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000166009792 948085936 /nfs/dbraw/zinc/08/59/36/948085936.db2.gz PWBDDXKMTDWOAI-RHSMWYFYSA-N 2 0 362.543 3.521 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001167822169 948087042 /nfs/dbraw/zinc/08/70/42/948087042.db2.gz GSVDUBGHUMNHGV-HXUWFJFHSA-N 2 0 373.589 3.670 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000473202184 948089133 /nfs/dbraw/zinc/08/91/33/948089133.db2.gz QDVGOUROZSCHEC-NHCUHLMSSA-N 2 0 359.558 3.524 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825720 948126895 /nfs/dbraw/zinc/12/68/95/948126895.db2.gz SRIZNBIDYLSIIK-MOPGFXCFSA-N 3 0 353.595 3.509 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001167827054 948134614 /nfs/dbraw/zinc/13/46/14/948134614.db2.gz RYMIXKJKPDMZEQ-MRXNPFEDSA-N 2 0 361.505 3.622 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827819 948159999 /nfs/dbraw/zinc/15/99/99/948159999.db2.gz XUFVDZSUQNQSFT-ROUUACIJSA-N 2 0 355.567 3.686 20 0 FHADRP c1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001168003563 948303274 /nfs/dbraw/zinc/30/32/74/948303274.db2.gz PLADJOSLCOYEIY-CBQGHPETSA-N 2 0 364.537 3.629 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167839558 948320327 /nfs/dbraw/zinc/32/03/27/948320327.db2.gz ABZZMEALOQJZLP-RCCFBDPRSA-N 2 0 355.567 3.827 20 0 FHADRP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624935 948325065 /nfs/dbraw/zinc/32/50/65/948325065.db2.gz LFVHMBCPHVEZSX-HCUBDLJJSA-N 2 0 363.549 3.757 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCCN(C(=O)OC(C)(C)C)CCC1 ZINC001167840691 948344925 /nfs/dbraw/zinc/34/49/25/948344925.db2.gz HPWMKTXTRUCJGC-SFHVURJKSA-N 2 0 355.567 3.830 20 0 FHADRP C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432411311 948362778 /nfs/dbraw/zinc/36/27/78/948362778.db2.gz XFLNFQMIXARMRH-CABCVRRESA-N 2 0 355.320 3.601 20 0 FHADRP C[NH+]1CCC(CC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512075462 948363830 /nfs/dbraw/zinc/36/38/30/948363830.db2.gz WVXDFVGUUDOMJJ-UHFFFAOYSA-N 2 0 366.431 3.713 20 0 FHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414215 948367081 /nfs/dbraw/zinc/36/70/81/948367081.db2.gz JWBSKYANUOGHCC-MAUKXSAKSA-N 2 0 369.347 3.991 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001167841803 948368509 /nfs/dbraw/zinc/36/85/09/948368509.db2.gz RIFSFMSSOUTIPQ-IBGZPJMESA-N 2 0 351.579 3.612 20 0 FHADRP COc1cccc(OC)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000512081677 948377137 /nfs/dbraw/zinc/37/71/37/948377137.db2.gz AAXAKZPPPHOYJW-UHFFFAOYSA-N 2 0 360.523 3.767 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152367367 948386326 /nfs/dbraw/zinc/38/63/26/948386326.db2.gz WLXXRQMITUKXHR-IAGOWNOFSA-N 2 0 358.530 3.695 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167842923 948395064 /nfs/dbraw/zinc/39/50/64/948395064.db2.gz ZRAJIXWVRMAEHP-KURKYZTESA-N 2 0 355.567 3.732 20 0 FHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427532 948398011 /nfs/dbraw/zinc/39/80/11/948398011.db2.gz ZFTFBEWMFWJGEF-CRAIPNDOSA-N 2 0 356.457 3.830 20 0 FHADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512096597 948408645 /nfs/dbraw/zinc/40/86/45/948408645.db2.gz ZKKAQNYUTPIIBH-VAMGGRTRSA-N 2 0 371.569 3.940 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CCCO1 ZINC000432450125 948454938 /nfs/dbraw/zinc/45/49/38/948454938.db2.gz WHVIJQOHBAKGRJ-PGRDOPGGSA-N 2 0 372.553 3.870 20 0 FHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccc(Cl)cc43)cn2)CC1 ZINC000536493343 948779954 /nfs/dbraw/zinc/77/99/54/948779954.db2.gz WBVVXSUUPBKSPC-HXUWFJFHSA-N 2 0 370.928 3.654 20 0 FHADRP COc1cccc(C[C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000602909452 568010867 /nfs/dbraw/zinc/01/08/67/568010867.db2.gz VOHRPCQGLNEBLQ-IBGZPJMESA-N 2 0 368.521 3.891 20 0 FHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000604416596 568274793 /nfs/dbraw/zinc/27/47/93/568274793.db2.gz MUHQXZHWGMWGHI-SFHVURJKSA-N 2 0 371.500 3.652 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000604416654 568274891 /nfs/dbraw/zinc/27/48/91/568274891.db2.gz UYUQLSVGYFULFL-QGZVFWFLSA-N 2 0 371.500 3.652 20 0 FHADRP C[C@@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000604885431 568380771 /nfs/dbraw/zinc/38/07/71/568380771.db2.gz PCGGLEHPGXSMEV-NRFANRHFSA-N 2 0 351.538 3.540 20 0 FHADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000319764726 568504839 /nfs/dbraw/zinc/50/48/39/568504839.db2.gz ZBRPPSUAZHOCHY-QGZVFWFLSA-N 2 0 367.331 3.984 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC000125997236 936321185 /nfs/dbraw/zinc/32/11/85/936321185.db2.gz GDIRKGDXICYEGY-INIZCTEOSA-N 2 0 369.484 3.898 20 0 FHADRP CC[NH+]1CCC(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000121807464 936352681 /nfs/dbraw/zinc/35/26/81/936352681.db2.gz WFHWLNCDLUEJGK-UHFFFAOYSA-N 2 0 355.526 3.531 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CN1Cc1ccccc1 ZINC000583051165 937080331 /nfs/dbraw/zinc/08/03/31/937080331.db2.gz CIRAEOPLXKDZIB-XXBNENTESA-N 2 0 360.505 3.684 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc([S@](C)=O)cc1 ZINC000123042691 937113920 /nfs/dbraw/zinc/11/39/20/937113920.db2.gz LANZHMPRKVIGDT-SSOJOUAXSA-N 2 0 356.535 3.871 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131512 937153100 /nfs/dbraw/zinc/15/31/00/937153100.db2.gz PVQOVNJIXDWLOG-IEBWSBKVSA-N 2 0 357.523 3.528 20 0 FHADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000583135045 937157049 /nfs/dbraw/zinc/15/70/49/937157049.db2.gz JMIHWKQVNLEDME-QZTJIDSGSA-N 2 0 358.448 3.899 20 0 FHADRP Brc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]2CCCO2)cc1 ZINC000643545629 927410680 /nfs/dbraw/zinc/41/06/80/927410680.db2.gz UDFANAVEMUHJEP-MSOLQXFVSA-N 2 0 365.315 3.569 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547178 927458315 /nfs/dbraw/zinc/45/83/15/927458315.db2.gz AQQZJAFYNLQNNA-DOMZBBRYSA-N 2 0 355.295 3.784 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510078211 927823134 /nfs/dbraw/zinc/82/31/34/927823134.db2.gz YIHRZOJGNAFPDL-UXHICEINSA-N 2 0 359.558 3.570 20 0 FHADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC[C@H](C)CC(C)(C)C)CC2)C1 ZINC001208665952 928378407 /nfs/dbraw/zinc/37/84/07/928378407.db2.gz SUHSFOHJZMVUOR-ZWKOTPCHSA-N 2 0 352.563 3.798 20 0 FHADRP Cc1ccc(C[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C(C)C)cc1 ZINC000583225735 937255533 /nfs/dbraw/zinc/25/55/33/937255533.db2.gz BGNDPXSQIXHSMJ-NRFANRHFSA-N 2 0 355.526 3.687 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000248138617 937260580 /nfs/dbraw/zinc/26/05/80/937260580.db2.gz PJPMOCWZCDUMIC-CKJXQJPGSA-N 2 0 360.473 3.539 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154477646 928859434 /nfs/dbraw/zinc/85/94/34/928859434.db2.gz JYENRDZTQAGRQZ-INIZCTEOSA-N 2 0 353.551 3.616 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000179678756 928931010 /nfs/dbraw/zinc/93/10/10/928931010.db2.gz AQRGRVFRYRHCMT-UHFFFAOYSA-N 2 0 361.555 3.867 20 0 FHADRP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978093 929095330 /nfs/dbraw/zinc/09/53/30/929095330.db2.gz YYKBHOAFCWHVGH-VJBMBRPKSA-N 2 0 352.522 3.653 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515751 929536134 /nfs/dbraw/zinc/53/61/34/929536134.db2.gz JLCSZGMNMIYMPW-OAQYLSRUSA-N 2 0 374.475 3.881 20 0 FHADRP C[C@H]([NH2+]CCCCNc1ccccn1)c1cccc(N2CCOC2=O)c1 ZINC000162871394 937343098 /nfs/dbraw/zinc/34/30/98/937343098.db2.gz KJMURZPALDJTLO-INIZCTEOSA-N 2 0 354.454 3.581 20 0 FHADRP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000275661660 929766139 /nfs/dbraw/zinc/76/61/39/929766139.db2.gz OCPWEJYOVZHBIH-PKOBYXMFSA-N 2 0 372.557 3.565 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CC3 ZINC000123071811 929872989 /nfs/dbraw/zinc/87/29/89/929872989.db2.gz WXVONCNRJWJDQM-QGZVFWFLSA-N 2 0 355.526 3.744 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccco1 ZINC000127143091 930254290 /nfs/dbraw/zinc/25/42/90/930254290.db2.gz VYRSHVDHCFYWOO-GOSISDBHSA-N 2 0 358.486 3.546 20 0 FHADRP C[C@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000683824210 930308128 /nfs/dbraw/zinc/30/81/28/930308128.db2.gz HBRTYHWVJLEPLH-XHDPSFHLSA-N 2 0 355.345 3.916 20 0 FHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCC2 ZINC000639304233 930368878 /nfs/dbraw/zinc/36/88/78/930368878.db2.gz QXGCIYBAUCRYHF-VQTJNVASSA-N 2 0 364.574 3.593 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314538 930485843 /nfs/dbraw/zinc/48/58/43/930485843.db2.gz YHEMYLBEWZVHLL-LPHOPBHVSA-N 2 0 372.475 3.711 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314540 930486224 /nfs/dbraw/zinc/48/62/24/930486224.db2.gz YHEMYLBEWZVHLL-VQIMIIECSA-N 2 0 372.475 3.711 20 0 FHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000583410657 937423789 /nfs/dbraw/zinc/42/37/89/937423789.db2.gz ZASBKJYWPZOONS-FOWTUZBSSA-N 2 0 368.468 3.516 20 0 FHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000583410658 937424016 /nfs/dbraw/zinc/42/40/16/937424016.db2.gz ZASBKJYWPZOONS-VBKFSLOCSA-N 2 0 368.468 3.516 20 0 FHADRP FC(F)CN1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000125072825 930570421 /nfs/dbraw/zinc/57/04/21/930570421.db2.gz JHZMXRLDYDCINY-UHFFFAOYSA-N 2 0 365.512 3.882 20 0 FHADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548089547 930607617 /nfs/dbraw/zinc/60/76/17/930607617.db2.gz MSHSRAWBAVSOQD-UHFFFAOYSA-N 2 0 369.553 3.667 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000683932272 930651299 /nfs/dbraw/zinc/65/12/99/930651299.db2.gz HAKDAJDVNZMAPS-NRFANRHFSA-N 2 0 367.537 3.633 20 0 FHADRP C[NH+](C)CCOc1ccc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000683933701 930659788 /nfs/dbraw/zinc/65/97/88/930659788.db2.gz WUFBEDGKPCDDDN-NRFANRHFSA-N 2 0 369.509 3.624 20 0 FHADRP C[C@H]([NH2+]CCOc1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000564825597 930682853 /nfs/dbraw/zinc/68/28/53/930682853.db2.gz VNMYCOBIDBSTMS-XJKSGUPXSA-N 2 0 363.299 3.569 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471582227 930737387 /nfs/dbraw/zinc/73/73/87/930737387.db2.gz NQFNVWGBGSANOT-MAUKXSAKSA-N 2 0 372.384 3.930 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000471593612 930844684 /nfs/dbraw/zinc/84/46/84/930844684.db2.gz MIXPCVFCOCFYOO-SCLBCKFNSA-N 2 0 356.341 3.596 20 0 FHADRP Cc1ccc(-c2ncc(C[NH+]3CCC(OCC[NH+](C)C)CC3)s2)cc1C ZINC000656251544 930858120 /nfs/dbraw/zinc/85/81/20/930858120.db2.gz IJDQOVNYVPJAMG-UHFFFAOYSA-N 2 0 373.566 3.970 20 0 FHADRP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000580573961 930867761 /nfs/dbraw/zinc/86/77/61/930867761.db2.gz UXGYUSWBIWCXAH-NRFANRHFSA-N 2 0 352.478 3.687 20 0 FHADRP Cc1cc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)cc(C)c1F ZINC001143380776 930991360 /nfs/dbraw/zinc/99/13/60/930991360.db2.gz VBPQJOYYAUUPLV-UHFFFAOYSA-N 2 0 372.484 3.903 20 0 FHADRP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000069896993 931012312 /nfs/dbraw/zinc/01/23/12/931012312.db2.gz VLGCRQXGSFDHOR-UHFFFAOYSA-N 2 0 365.521 3.664 20 0 FHADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744242 931091433 /nfs/dbraw/zinc/09/14/33/931091433.db2.gz IGPNZJWBRJWXIL-PXAZEXFGSA-N 2 0 362.315 3.545 20 0 FHADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744244 931091845 /nfs/dbraw/zinc/09/18/45/931091845.db2.gz IGPNZJWBRJWXIL-SJKOYZFVSA-N 2 0 362.315 3.545 20 0 FHADRP c1ccc(C[C@@H]2CC[N@H+]2C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326151 /nfs/dbraw/zinc/32/61/51/931326151.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 0 350.506 3.595 20 0 FHADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000187700292 931438578 /nfs/dbraw/zinc/43/85/78/931438578.db2.gz XZHKEQOHMHITKR-KRWDZBQOSA-N 2 0 365.562 3.630 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(-n2cncn2)cc1Cl ZINC000123676293 931573984 /nfs/dbraw/zinc/57/39/84/931573984.db2.gz WUKSZZZOSRUELX-OAHLLOKOSA-N 2 0 369.900 3.833 20 0 FHADRP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090715183 931576733 /nfs/dbraw/zinc/57/67/33/931576733.db2.gz JTBPSXWGDPEAOH-MRXNPFEDSA-N 2 0 353.551 3.534 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1OC(F)F ZINC000581131643 931598047 /nfs/dbraw/zinc/59/80/47/931598047.db2.gz OEDAWGMCGNOVPW-NXEZZACHSA-N 2 0 351.235 3.574 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000581136477 931611185 /nfs/dbraw/zinc/61/11/85/931611185.db2.gz WWCITVPGIXEPBE-WIYYLYMNSA-N 2 0 374.573 3.522 20 0 FHADRP Brc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000581191399 931651437 /nfs/dbraw/zinc/65/14/37/931651437.db2.gz ZEWICWLMECXPCQ-HNNXBMFYSA-N 2 0 374.326 3.819 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000430547966 931773459 /nfs/dbraw/zinc/77/34/59/931773459.db2.gz LQZYZBMCUDZVEA-LBPRGKRZSA-N 2 0 358.313 3.642 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559200 931844808 /nfs/dbraw/zinc/84/48/08/931844808.db2.gz ZYZFBNVRRAVGRC-MJGOQNOKSA-N 2 0 351.494 3.741 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430583280 931957573 /nfs/dbraw/zinc/95/75/73/931957573.db2.gz XJMGZMULRUZDDW-ROUUACIJSA-N 2 0 367.537 3.727 20 0 FHADRP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430587459 931968115 /nfs/dbraw/zinc/96/81/15/931968115.db2.gz ZMKJPKXZFIRQJK-UHFFFAOYSA-N 2 0 351.494 3.614 20 0 FHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430587219 931972077 /nfs/dbraw/zinc/97/20/77/931972077.db2.gz VKTOTVJBQGQVDJ-HXUWFJFHSA-N 2 0 353.510 3.987 20 0 FHADRP COCCCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092067006 932027152 /nfs/dbraw/zinc/02/71/52/932027152.db2.gz JUHUVTZMZWPAOA-KNQAVFIVSA-N 2 0 358.526 3.551 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000656537886 932030003 /nfs/dbraw/zinc/03/00/03/932030003.db2.gz IILLATISGUFMSB-BHDDXSALSA-N 2 0 362.521 3.744 20 0 FHADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430600636 932046862 /nfs/dbraw/zinc/04/68/62/932046862.db2.gz BNXSAEZPUOWUBE-SFHVURJKSA-N 2 0 367.493 3.739 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000656679126 932320867 /nfs/dbraw/zinc/32/08/67/932320867.db2.gz VXDDFXDSLZPETG-HNNXBMFYSA-N 2 0 366.933 3.890 20 0 FHADRP Cc1ccc2nc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cn2c1 ZINC000581622608 932330776 /nfs/dbraw/zinc/33/07/76/932330776.db2.gz RHNAMTPRUVWKED-UHFFFAOYSA-N 2 0 354.523 3.706 20 0 FHADRP C[C@@H]1C[NH+](C/C=C\C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625653061 932371886 /nfs/dbraw/zinc/37/18/86/932371886.db2.gz HFMZHBVWKFGLFT-CRNKYXIYSA-N 2 0 350.444 3.989 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC000656783856 932419811 /nfs/dbraw/zinc/41/98/11/932419811.db2.gz VLVAUYNMXLRWHP-IBGZPJMESA-N 2 0 352.526 3.607 20 0 FHADRP COc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656786773 932426040 /nfs/dbraw/zinc/42/60/40/932426040.db2.gz XMWLNFUDBRJAFE-OAHLLOKOSA-N 2 0 354.441 3.508 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000581661031 932430208 /nfs/dbraw/zinc/43/02/08/932430208.db2.gz BYDNDOABIJGWIO-SNVBAGLBSA-N 2 0 350.356 3.540 20 0 FHADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000625832082 932488431 /nfs/dbraw/zinc/48/84/31/932488431.db2.gz BKNHACFEHBITEC-AZUAARDMSA-N 2 0 358.530 3.713 20 0 FHADRP CC(C)OC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000130243441 932541168 /nfs/dbraw/zinc/54/11/68/932541168.db2.gz FSNDXTXNTVQEOJ-UHFFFAOYSA-N 2 0 360.542 3.987 20 0 FHADRP Fc1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000581829607 932704515 /nfs/dbraw/zinc/70/45/15/932704515.db2.gz CCJMONKLBQEXEL-UHFFFAOYSA-N 2 0 354.897 3.598 20 0 FHADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000430721000 933170816 /nfs/dbraw/zinc/17/08/16/933170816.db2.gz APADZUOTYUNFIB-PSWRPDDJSA-N 2 0 371.569 3.796 20 0 FHADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000430742143 933193017 /nfs/dbraw/zinc/19/30/17/933193017.db2.gz NUXJVOQJVGJWAY-RFQIGKHKSA-N 2 0 369.553 3.596 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510674983 933397657 /nfs/dbraw/zinc/39/76/57/933397657.db2.gz LMGSLRXVWKAVTQ-ZACQAIPSSA-N 2 0 354.485 3.765 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430964281 933508897 /nfs/dbraw/zinc/50/88/97/933508897.db2.gz YLQZNCHBXNEYEY-JXFKEZNVSA-N 2 0 362.477 3.885 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994560 933697660 /nfs/dbraw/zinc/69/76/60/933697660.db2.gz CZKCVLOECHXGCO-HKUYNNGSSA-N 2 0 372.475 3.566 20 0 FHADRP C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000684558541 933900072 /nfs/dbraw/zinc/90/00/72/933900072.db2.gz JTKQWWHJOCIHJJ-MEDUHNTESA-N 2 0 364.839 3.712 20 0 FHADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000092381115 934031815 /nfs/dbraw/zinc/03/18/15/934031815.db2.gz PXNYDCMVWINYBW-UHFFFAOYSA-N 2 0 374.447 3.800 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132382310 934044067 /nfs/dbraw/zinc/04/40/67/934044067.db2.gz GDLGQEILQXNPRJ-RDJZCZTQSA-N 2 0 366.619 3.672 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000132379661 934044763 /nfs/dbraw/zinc/04/47/63/934044763.db2.gz XTVJLIRIBNZOQF-ZWKOTPCHSA-N 2 0 367.990 3.739 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000132417875 934052894 /nfs/dbraw/zinc/05/28/94/934052894.db2.gz LLZLCRTYIJLHJL-YOEHRIQHSA-N 2 0 358.357 3.916 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561412 934093778 /nfs/dbraw/zinc/09/37/78/934093778.db2.gz SFFJFTAADBVQGQ-LMDPOFIKSA-N 2 0 352.563 3.989 20 0 FHADRP COc1cccc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000548483587 934133031 /nfs/dbraw/zinc/13/30/31/934133031.db2.gz RBPPDWYWVHXIDN-NQIIRXRSSA-N 2 0 368.521 3.747 20 0 FHADRP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000380427423 934137562 /nfs/dbraw/zinc/13/75/62/934137562.db2.gz JJERJVOOZQIRIG-QFBILLFUSA-N 2 0 370.468 3.613 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093844575 934180029 /nfs/dbraw/zinc/18/00/29/934180029.db2.gz RDZWHNLXYWFNCP-SFHVURJKSA-N 2 0 367.541 3.948 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(OC(F)F)c1 ZINC000535811319 934401933 /nfs/dbraw/zinc/40/19/33/934401933.db2.gz CUIOOZVZEDISDH-UHFFFAOYSA-N 2 0 356.457 3.849 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000510987589 934462744 /nfs/dbraw/zinc/46/27/44/934462744.db2.gz SRDNWYMFEOAIJH-YUXAGFNASA-N 2 0 350.506 3.880 20 0 FHADRP c1cn(Cc2ccccc2)c(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000132125498 934611071 /nfs/dbraw/zinc/61/10/71/934611071.db2.gz INRTVEWTSAJZRS-UHFFFAOYSA-N 2 0 366.553 3.861 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000090456765 934645394 /nfs/dbraw/zinc/64/53/94/934645394.db2.gz NRHNCXBSARUMAA-QWHCGFSZSA-N 2 0 357.311 3.839 20 0 FHADRP CCC(CC)(CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H](C)c1ccccc1 ZINC000236830254 934788728 /nfs/dbraw/zinc/78/87/28/934788728.db2.gz VNLNWJQEWFZTOF-XAJVHEMHSA-N 2 0 371.569 3.933 20 0 FHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1cccc2ccccc21 ZINC000046438960 934808909 /nfs/dbraw/zinc/80/89/09/934808909.db2.gz QLTLFEDAJIWMTK-UHFFFAOYSA-N 2 0 356.514 3.577 20 0 FHADRP CCOCc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000151645153 934831119 /nfs/dbraw/zinc/83/11/19/934831119.db2.gz ZGYPJBKPYJVRRI-PGRDOPGGSA-N 2 0 353.510 3.618 20 0 FHADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000892043859 934881832 /nfs/dbraw/zinc/88/18/32/934881832.db2.gz YKACIUFHKYXPPR-SFHVURJKSA-N 2 0 372.557 3.646 20 0 FHADRP CCSc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)c1 ZINC000472065659 934929314 /nfs/dbraw/zinc/92/93/14/934929314.db2.gz YYMKODRENFAEMZ-UHFFFAOYSA-N 2 0 370.566 3.625 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000236883189 934967994 /nfs/dbraw/zinc/96/79/94/934967994.db2.gz GTWSCLHMTDJNHN-ATZDWAIDSA-N 2 0 359.539 3.583 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000236885995 934984379 /nfs/dbraw/zinc/98/43/79/934984379.db2.gz JYDBNYLCRCNGKJ-LAUBAEHRSA-N 2 0 369.509 3.682 20 0 FHADRP Cc1c(Br)cncc1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000657295591 934997460 /nfs/dbraw/zinc/99/74/60/934997460.db2.gz DNRYPYOFLFKJLM-UHFFFAOYSA-N 2 0 362.315 3.764 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000657296378 934999432 /nfs/dbraw/zinc/99/94/32/934999432.db2.gz GUNLCTXYUYSXPO-IBGZPJMESA-N 2 0 368.521 3.986 20 0 FHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657303415 935041668 /nfs/dbraw/zinc/04/16/68/935041668.db2.gz OHBSYIRGDBCTME-UHFFFAOYSA-N 2 0 360.505 3.848 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000472125102 935098861 /nfs/dbraw/zinc/09/88/61/935098861.db2.gz YYMXBTZVRRIPCA-MRXNPFEDSA-N 2 0 361.530 3.670 20 0 FHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C(C)(C)C)CC1 ZINC001167543908 935186782 /nfs/dbraw/zinc/18/67/82/935186782.db2.gz GLWQOENRMVOXRI-OAQYLSRUSA-N 2 0 371.569 3.540 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(c3ccccn3)C2)CC1 ZINC000438826348 945083735 /nfs/dbraw/zinc/08/37/35/945083735.db2.gz MONPHDLYWLRHIY-ORFBVSJDSA-N 2 0 364.537 3.693 20 0 FHADRP CCc1ccc(-c2ccc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)o2)cc1 ZINC000472165538 935266717 /nfs/dbraw/zinc/26/67/17/935266717.db2.gz PLXLUUPNJGUECA-SFHVURJKSA-N 2 0 355.526 3.625 20 0 FHADRP C[C@@H]1CSCCC[N@@H+]1Cc1cncc(C[NH+]2CCCSC[C@@H]2C)c1 ZINC000934297138 935286534 /nfs/dbraw/zinc/28/65/34/935286534.db2.gz AKFSMFMTYBKUDZ-CALCHBBNSA-N 2 0 365.612 3.736 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC000892194656 935309979 /nfs/dbraw/zinc/30/99/79/935309979.db2.gz XCMSTPPYPXFNEE-UHFFFAOYSA-N 2 0 369.475 3.754 20 0 FHADRP c1c2ccncc2sc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657351327 935316000 /nfs/dbraw/zinc/31/60/00/935316000.db2.gz CKLPVHDIYHRGGN-GOSISDBHSA-N 2 0 351.519 3.951 20 0 FHADRP CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000563276493 935378992 /nfs/dbraw/zinc/37/89/92/935378992.db2.gz ZCQJNPOUUZNLGO-QGZVFWFLSA-N 2 0 360.420 3.737 20 0 FHADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000582264353 935460699 /nfs/dbraw/zinc/46/06/99/935460699.db2.gz HIRLNMRPPOQZQG-CQSZACIVSA-N 2 0 367.415 3.892 20 0 FHADRP Cc1cc(F)ccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000509568827 945104798 /nfs/dbraw/zinc/10/47/98/945104798.db2.gz KJFGSPYBLHGNEI-UHFFFAOYSA-N 2 0 369.528 3.822 20 0 FHADRP Clc1ccccc1[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000582295234 935499709 /nfs/dbraw/zinc/49/97/09/935499709.db2.gz KICSBXSQHKUNCK-OAQYLSRUSA-N 2 0 372.896 3.790 20 0 FHADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000582298110 935503966 /nfs/dbraw/zinc/50/39/66/935503966.db2.gz CIOLHBWZYKMEEL-QFIPXVFZSA-N 2 0 365.521 3.543 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415632 935640298 /nfs/dbraw/zinc/64/02/98/935640298.db2.gz NEHVJALQWJXMDB-PKOBYXMFSA-N 2 0 352.526 3.688 20 0 FHADRP CCC1(C[NH2+]Cc2cnc3n2CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000657415451 935640716 /nfs/dbraw/zinc/64/07/16/935640716.db2.gz DLVPPDFJFMURQB-UHFFFAOYSA-N 2 0 352.526 3.611 20 0 FHADRP C[C@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000582431976 935695765 /nfs/dbraw/zinc/69/57/65/935695765.db2.gz XLQXEENTHLLFPX-LJQANCHMSA-N 2 0 361.549 3.543 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000511150128 935800223 /nfs/dbraw/zinc/80/02/23/935800223.db2.gz MDDGYIOSNQLOLX-UHFFFAOYSA-N 2 0 352.906 3.680 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000511149909 935800759 /nfs/dbraw/zinc/80/07/59/935800759.db2.gz KWWZCKJMYKOQOB-UHFFFAOYSA-N 2 0 350.478 3.556 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000657452843 935809893 /nfs/dbraw/zinc/80/98/93/935809893.db2.gz KPDBLYTUOPFTSC-UGKGYDQZSA-N 2 0 368.521 3.712 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2ccncc2C)CC1 ZINC000582603458 935865219 /nfs/dbraw/zinc/86/52/19/935865219.db2.gz GGIHJPKGQYLHPI-SFHVURJKSA-N 2 0 370.516 3.564 20 0 FHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000582635767 935895092 /nfs/dbraw/zinc/89/50/92/935895092.db2.gz CENHDYVWPYQLOF-HZPDHXFCSA-N 2 0 366.571 3.613 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000075007928 936003042 /nfs/dbraw/zinc/00/30/42/936003042.db2.gz YTXDVYJICLEYOC-UHFFFAOYSA-N 2 0 369.347 3.772 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000075007691 936003141 /nfs/dbraw/zinc/00/31/41/936003141.db2.gz GEUWFINRNKEKHZ-UHFFFAOYSA-N 2 0 356.457 3.611 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4cccnc4)c3)cc2)C1 ZINC000657598063 936080590 /nfs/dbraw/zinc/08/05/90/936080590.db2.gz XQGIUIIBNMWYHM-XMMPIXPASA-N 2 0 373.500 3.605 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)CCC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000237524882 936109786 /nfs/dbraw/zinc/10/97/86/936109786.db2.gz FOKVSIKDHHYXNR-SFHVURJKSA-N 2 0 357.542 3.546 20 0 FHADRP Brc1ccc(CC2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660774 936182273 /nfs/dbraw/zinc/18/22/73/936182273.db2.gz RBWHIUAZIGRKJY-ROUUACIJSA-N 2 0 363.343 3.988 20 0 FHADRP CC(C)[C@@H](C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000582837966 936202532 /nfs/dbraw/zinc/20/25/32/936202532.db2.gz LVLIZGANQATNJL-QFBILLFUSA-N 2 0 371.491 3.671 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000657671140 936216743 /nfs/dbraw/zinc/21/67/43/936216743.db2.gz KWNSCYHYXUFHMU-IBGZPJMESA-N 2 0 351.485 3.744 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000611728277 936222633 /nfs/dbraw/zinc/22/26/33/936222633.db2.gz JXJYIRHDBMZFPI-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP c1cc2cc(CC[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)ccc2[nH]1 ZINC000685044745 936250824 /nfs/dbraw/zinc/25/08/24/936250824.db2.gz IAUNEDZOBBXNIG-UHFFFAOYSA-N 2 0 363.505 3.975 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000090853071 936270664 /nfs/dbraw/zinc/27/06/64/936270664.db2.gz TUKVALARKUKQAL-MJXNMMHHSA-N 2 0 353.913 3.544 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000657702636 936297728 /nfs/dbraw/zinc/29/77/28/936297728.db2.gz LYHPBKJRRFEJGD-RTBURBONSA-N 2 0 354.498 3.792 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000657702633 936298082 /nfs/dbraw/zinc/29/80/82/936298082.db2.gz LYHPBKJRRFEJGD-MOPGFXCFSA-N 2 0 354.498 3.792 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156553528 938265815 /nfs/dbraw/zinc/26/58/15/938265815.db2.gz PSBHTNUMIYOASZ-SFHVURJKSA-N 2 0 365.521 3.704 20 0 FHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448061040 938274663 /nfs/dbraw/zinc/27/46/63/938274663.db2.gz QZQYHLMFWNZOND-UHFFFAOYSA-N 2 0 367.459 3.880 20 0 FHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705325 938282868 /nfs/dbraw/zinc/28/28/68/938282868.db2.gz DLZLWELYHIFQMA-NPPFBWRTSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc(C)c1OC(F)F ZINC000650705796 938284200 /nfs/dbraw/zinc/28/42/00/938284200.db2.gz WCUZRDUDZSJODZ-OKZBNKHCSA-N 2 0 368.468 3.623 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706123 938285176 /nfs/dbraw/zinc/28/51/76/938285176.db2.gz DRCFECWOAAZQDI-MJEQTWJJSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706210 938285316 /nfs/dbraw/zinc/28/53/16/938285316.db2.gz GNJPHGKZEINCFW-IPELMVKDSA-N 2 0 359.901 3.607 20 0 FHADRP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706355 938285895 /nfs/dbraw/zinc/28/58/95/938285895.db2.gz JCBXYCGDSLZROL-YLQAJVPDSA-N 2 0 373.324 3.720 20 0 FHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706741 938286685 /nfs/dbraw/zinc/28/66/85/938286685.db2.gz RRCCFQPOLNMRHN-CMKODMSKSA-N 2 0 371.550 3.837 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707431 938289567 /nfs/dbraw/zinc/28/95/67/938289567.db2.gz GCWUBKWUFUJZQN-KHYOSLBOSA-N 2 0 354.897 3.630 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC2(C[NH3+])CC2)o1 ZINC000650713010 938298779 /nfs/dbraw/zinc/29/87/79/938298779.db2.gz BQBNPSSSLUEETF-UHFFFAOYSA-N 2 0 350.466 3.659 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000472292054 938301965 /nfs/dbraw/zinc/30/19/65/938301965.db2.gz KQYQISUJFQVTAQ-HKUYNNGSSA-N 2 0 357.498 3.835 20 0 FHADRP CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000261843463 938305002 /nfs/dbraw/zinc/30/50/02/938305002.db2.gz IWZGZJXBKIJPCZ-CYBMUJFWSA-N 2 0 358.313 3.644 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299406 938307777 /nfs/dbraw/zinc/30/77/77/938307777.db2.gz FADWLIGYFHTYRP-VXKWHMMOSA-N 2 0 353.510 3.525 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000650719527 938308025 /nfs/dbraw/zinc/30/80/25/938308025.db2.gz SRCWOYWFSQJUIC-UHFFFAOYSA-N 2 0 357.929 3.814 20 0 FHADRP C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647299133 938308110 /nfs/dbraw/zinc/30/81/10/938308110.db2.gz FFYRSQJAKPKHDM-BJLQDIEVSA-N 2 0 352.526 3.781 20 0 FHADRP Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724034 938311184 /nfs/dbraw/zinc/31/11/84/938311184.db2.gz XKNFJBIDGRZTTH-KURKYZTESA-N 2 0 367.331 3.618 20 0 FHADRP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657773844 938318947 /nfs/dbraw/zinc/31/89/47/938318947.db2.gz URTNIDPQMIENRG-OAQYLSRUSA-N 2 0 352.526 3.856 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000728572174 938332124 /nfs/dbraw/zinc/33/21/24/938332124.db2.gz UDLPJIXBIPJNEK-GOSISDBHSA-N 2 0 369.347 3.535 20 0 FHADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151088995 938341114 /nfs/dbraw/zinc/34/11/14/938341114.db2.gz ADWYRKPTZYJAIG-REWPJTCUSA-N 2 0 373.585 3.758 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665592 938349409 /nfs/dbraw/zinc/34/94/09/938349409.db2.gz FGMVTQMSXLEIMI-YADHBBJMSA-N 2 0 371.569 3.606 20 0 FHADRP Fc1ccccc1Oc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000650740676 938361623 /nfs/dbraw/zinc/36/16/23/938361623.db2.gz OCIDXFAYCCRGOJ-HLAWJBBLSA-N 2 0 370.468 3.865 20 0 FHADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000650743966 938369221 /nfs/dbraw/zinc/36/92/21/938369221.db2.gz CJCZQBXEEPQNOL-QGZVFWFLSA-N 2 0 364.493 3.693 20 0 FHADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745395 938371504 /nfs/dbraw/zinc/37/15/04/938371504.db2.gz FRZHXGOMOINAQH-NHYWBVRUSA-N 2 0 355.345 3.951 20 0 FHADRP CSC1(C[NH2+]Cc2ccc(Br)cc2C)CC[NH+](C)CC1 ZINC000583781816 938406960 /nfs/dbraw/zinc/40/69/60/938406960.db2.gz CWEUIHKJXUEBIX-UHFFFAOYSA-N 2 0 357.361 3.675 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc3c(C)cccn23)CC1)CC1CC1 ZINC000536140810 938439276 /nfs/dbraw/zinc/43/92/76/938439276.db2.gz LRSWOJODJOHQMW-UHFFFAOYSA-N 2 0 354.542 3.977 20 0 FHADRP Cc1csc(N2CCC([NH2+]CCCC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000157858666 938443677 /nfs/dbraw/zinc/44/36/77/938443677.db2.gz ZLCHILOXXUWVHN-QGZVFWFLSA-N 2 0 350.576 3.665 20 0 FHADRP Cc1ccc(OCCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000060368505 945177189 /nfs/dbraw/zinc/17/71/89/945177189.db2.gz SQHARHRLQWFQPC-OYRHEFFESA-N 2 0 374.569 3.894 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000536158662 938478348 /nfs/dbraw/zinc/47/83/48/938478348.db2.gz PKOPIGNYCWQOTP-WIYYLYMNSA-N 2 0 362.533 3.875 20 0 FHADRP c1cc(COc2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2)ccn1 ZINC000278504213 938486128 /nfs/dbraw/zinc/48/61/28/938486128.db2.gz ONIJRJCYOIQXAA-UHFFFAOYSA-N 2 0 351.494 3.625 20 0 FHADRP CC1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC[NH2+]CC1 ZINC000414900192 945185263 /nfs/dbraw/zinc/18/52/63/945185263.db2.gz HXUSQBSYIQSWRL-UHFFFAOYSA-N 2 0 363.246 3.530 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000657832147 938624567 /nfs/dbraw/zinc/62/45/67/938624567.db2.gz ITNBTZGDBJUVEY-PMACEKPBSA-N 2 0 351.966 3.523 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000518197685 945194105 /nfs/dbraw/zinc/19/41/05/945194105.db2.gz NAJNGYLNFORYLL-NJDAHSKKSA-N 2 0 372.553 3.845 20 0 FHADRP c1ccc(CN2CC[C@@H]([NH2+]CCc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000584290753 938672933 /nfs/dbraw/zinc/67/29/33/938672933.db2.gz CXPYGRCVUXOEPG-HXUWFJFHSA-N 2 0 364.489 3.745 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000584307935 938679519 /nfs/dbraw/zinc/67/95/19/938679519.db2.gz JDLYQPTZBIRETM-QFIPXVFZSA-N 2 0 367.537 3.855 20 0 FHADRP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC1CC1 ZINC000628190302 938702148 /nfs/dbraw/zinc/70/21/48/938702148.db2.gz BBQLFCLPMXGPNX-FXAWDEMLSA-N 2 0 356.510 3.685 20 0 FHADRP CCc1ncc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000084050633 938818082 /nfs/dbraw/zinc/81/80/82/938818082.db2.gz SHPBVYBLXQJASM-UHFFFAOYSA-N 2 0 373.566 3.866 20 0 FHADRP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000584409994 938829086 /nfs/dbraw/zinc/82/90/86/938829086.db2.gz RUUQNNVWRUBDHW-GOSISDBHSA-N 2 0 365.521 3.693 20 0 FHADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OCc1cccs1 ZINC000414966031 945207415 /nfs/dbraw/zinc/20/74/15/945207415.db2.gz FWXOPWBDNBVSCX-KRWDZBQOSA-N 2 0 360.523 3.958 20 0 FHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000089673946 938862667 /nfs/dbraw/zinc/86/26/67/938862667.db2.gz WLQBDZLFFDYJFG-QFBILLFUSA-N 2 0 372.532 3.888 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccsc2S1 ZINC000090937363 938879223 /nfs/dbraw/zinc/87/92/23/938879223.db2.gz SIXFHDUFJFLKJG-BBRMVZONSA-N 2 0 363.552 3.799 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OCc1ccccc1 ZINC000415008497 945212089 /nfs/dbraw/zinc/21/20/89/945212089.db2.gz MQYMWBHQNZWAHX-LEWJYISDSA-N 2 0 366.505 3.752 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000090708788 938881864 /nfs/dbraw/zinc/88/18/64/938881864.db2.gz WXCIMJSATJOPJU-BVFWVQIHSA-N 2 0 370.562 3.985 20 0 FHADRP COc1cc(NCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(OC)c1 ZINC000090719704 938881932 /nfs/dbraw/zinc/88/19/32/938881932.db2.gz BEHPHNLUTXNGJJ-UHFFFAOYSA-N 2 0 361.530 3.502 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000657862709 938897017 /nfs/dbraw/zinc/89/70/17/938897017.db2.gz GSSJJGQDWLAFPU-IBGZPJMESA-N 2 0 363.977 3.809 20 0 FHADRP C[C@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320517 938900216 /nfs/dbraw/zinc/90/02/16/938900216.db2.gz OGGNZWRCXIIHIC-BEFAXECRSA-N 2 0 369.475 3.630 20 0 FHADRP COCc1cccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821623 938921920 /nfs/dbraw/zinc/92/19/20/938921920.db2.gz LFRKRFPJQJPPAQ-UHFFFAOYSA-N 2 0 353.510 3.967 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000657871968 938958188 /nfs/dbraw/zinc/95/81/88/938958188.db2.gz LMUBZEUWNGMVAK-IBGZPJMESA-N 2 0 371.491 3.644 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C(F)F)nc1 ZINC000657872856 938959419 /nfs/dbraw/zinc/95/94/19/938959419.db2.gz POPLSZXMTONQEW-OAHLLOKOSA-N 2 0 363.452 3.853 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657887541 938978670 /nfs/dbraw/zinc/97/86/70/938978670.db2.gz CZEDGUTZCOBZOA-IEBWSBKVSA-N 2 0 350.934 3.752 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCc2cc(O)ccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685429411 938986453 /nfs/dbraw/zinc/98/64/53/938986453.db2.gz JPPLRZNTFLTLDA-BULFRSBZSA-N 2 0 350.506 3.750 20 0 FHADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456719 938987770 /nfs/dbraw/zinc/98/77/70/938987770.db2.gz NKTYZZGWPOROBC-UHFFFAOYSA-N 3 0 363.509 3.659 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000685458382 938988020 /nfs/dbraw/zinc/98/80/20/938988020.db2.gz AGIZNTQXQYAPQP-UHFFFAOYSA-N 2 0 366.553 3.524 20 0 FHADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657897719 938992963 /nfs/dbraw/zinc/99/29/63/938992963.db2.gz IVMRLBXYTCBHBV-HXUWFJFHSA-N 2 0 362.583 3.933 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653814 939009035 /nfs/dbraw/zinc/00/90/35/939009035.db2.gz XECVKWPPFOZJNP-UTKZUKDTSA-N 2 0 361.489 3.652 20 0 FHADRP COc1ccc(-c2n[nH]cc2CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564157 939015732 /nfs/dbraw/zinc/01/57/32/939015732.db2.gz HOBSPNDYWZIBCI-IBGZPJMESA-N 2 0 354.498 3.536 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc2ccccc2n1 ZINC000658066513 939021499 /nfs/dbraw/zinc/02/14/99/939021499.db2.gz BFGCUQQXUXIQKW-QGZVFWFLSA-N 2 0 353.510 3.776 20 0 FHADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067957 939021557 /nfs/dbraw/zinc/02/15/57/939021557.db2.gz SSAJYHQBPUARCW-JTHBVZDNSA-N 2 0 356.554 3.878 20 0 FHADRP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116634 939025225 /nfs/dbraw/zinc/02/52/25/939025225.db2.gz WOVSAUXQRWXOLW-RLLQIKCJSA-N 2 0 368.606 3.821 20 0 FHADRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658141481 939034811 /nfs/dbraw/zinc/03/48/11/939034811.db2.gz BMNPHESFYWAYEP-UTKZUKDTSA-N 2 0 354.494 3.503 20 0 FHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142149 939035614 /nfs/dbraw/zinc/03/56/14/939035614.db2.gz VCFULSFEYPPMAE-DNVCBOLYSA-N 2 0 374.525 3.965 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143175 939035832 /nfs/dbraw/zinc/03/58/32/939035832.db2.gz XHKHKROPPPOUCY-IFMALSPDSA-N 2 0 354.494 3.503 20 0 FHADRP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143162 939036008 /nfs/dbraw/zinc/03/60/08/939036008.db2.gz XGAQYEVDNYLJHH-UWJYYQICSA-N 2 0 356.485 3.503 20 0 FHADRP C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143160 939036034 /nfs/dbraw/zinc/03/60/34/939036034.db2.gz XGAQYEVDNYLJHH-LAUBAEHRSA-N 2 0 356.485 3.503 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3c3ccc(F)cc3)cc2)C1 ZINC000658143484 939036564 /nfs/dbraw/zinc/03/65/64/939036564.db2.gz YVNCYRIJDKEAFD-VJBWXMMDSA-N 2 0 368.496 3.818 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145299 939037631 /nfs/dbraw/zinc/03/76/31/939037631.db2.gz RKIWZZULWMAMBB-OXJNMPFZSA-N 2 0 350.462 3.850 20 0 FHADRP CC(C)COC1CC[NH+](CC(C)C[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000605575504 939039052 /nfs/dbraw/zinc/03/90/52/939039052.db2.gz GUGLGXLGXHRVBN-UHFFFAOYSA-N 2 0 368.606 3.897 20 0 FHADRP c1c[nH]c([C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CCCCC2)n1 ZINC000658164876 939052606 /nfs/dbraw/zinc/05/26/06/939052606.db2.gz GDNLTDPCZXCDKV-NRFANRHFSA-N 2 0 367.541 3.928 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1N(C)C ZINC000658166365 939054138 /nfs/dbraw/zinc/05/41/38/939054138.db2.gz OAGSFWYSOGUUDC-KRWDZBQOSA-N 2 0 370.516 3.850 20 0 FHADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000658166357 939054174 /nfs/dbraw/zinc/05/41/74/939054174.db2.gz NZNFLWMLZILOEL-OAQYLSRUSA-N 2 0 373.928 3.924 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414968001 945223981 /nfs/dbraw/zinc/22/39/81/945223981.db2.gz QXCZXUYWORDBQC-INIZCTEOSA-N 2 0 352.404 3.717 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511828519 945224944 /nfs/dbraw/zinc/22/49/44/945224944.db2.gz YESCAEPZHVBEFG-DNVJHFABSA-N 2 0 355.570 3.671 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1)CC(C)C ZINC000516797524 945253801 /nfs/dbraw/zinc/25/38/01/945253801.db2.gz DIAPDTUTPOPCAU-UHFFFAOYSA-N 2 0 365.606 3.713 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000427297160 945260190 /nfs/dbraw/zinc/26/01/90/945260190.db2.gz YEBBXVLTKMOXIQ-OALUTQOASA-N 2 0 357.542 3.546 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000507464358 945264530 /nfs/dbraw/zinc/26/45/30/945264530.db2.gz XEGNHCJQDJEXDC-FQEVSTJZSA-N 2 0 366.553 3.897 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507493790 945265318 /nfs/dbraw/zinc/26/53/18/945265318.db2.gz HXKJDPBKZNCXOC-HZPDHXFCSA-N 2 0 363.512 3.749 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000467355984 945266499 /nfs/dbraw/zinc/26/64/99/945266499.db2.gz SFCVYXBMHVZMGA-NRFANRHFSA-N 2 0 372.484 3.594 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427318531 945268627 /nfs/dbraw/zinc/26/86/27/945268627.db2.gz DNTLFZXVJXSZNX-AQNXPRMDSA-N 2 0 371.569 3.561 20 0 FHADRP COc1cc2c(c(C[NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000518266171 945268814 /nfs/dbraw/zinc/26/88/14/945268814.db2.gz OLIORRCDEPWJCP-KSZLIROESA-N 2 0 360.542 3.866 20 0 FHADRP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000507499288 945269487 /nfs/dbraw/zinc/26/94/87/945269487.db2.gz YIQPLLOXPVGEHP-JFDBCFPISA-N 2 0 364.537 3.867 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000507517233 945279943 /nfs/dbraw/zinc/27/99/43/945279943.db2.gz YVZSLEAQFHGSDK-DYQZNNLLSA-N 2 0 374.569 3.600 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000569884196 940023563 /nfs/dbraw/zinc/02/35/63/940023563.db2.gz PCWFUMUIEAETEZ-UHFFFAOYSA-N 2 0 357.473 3.587 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000521114464 940097868 /nfs/dbraw/zinc/09/78/68/940097868.db2.gz DINMVKUFVMSFIS-MULDZMIYSA-N 2 0 364.480 3.799 20 0 FHADRP CC(C)C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000570088927 940131838 /nfs/dbraw/zinc/13/18/38/940131838.db2.gz SCURJDWEENMWLA-LAUBAEHRSA-N 2 0 353.510 3.641 20 0 FHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000647490436 940209159 /nfs/dbraw/zinc/20/91/59/940209159.db2.gz XIZMCNLZTBZYOD-QGZVFWFLSA-N 2 0 364.468 3.767 20 0 FHADRP C[S@](=O)Cc1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000376112460 940325648 /nfs/dbraw/zinc/32/56/48/940325648.db2.gz HYWWSZGJJWXXIT-VWLOTQADSA-N 2 0 362.583 3.699 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC[C@H]1[NH3+] ZINC000647497798 940377181 /nfs/dbraw/zinc/37/71/81/940377181.db2.gz WAMATCABUQOASD-DYESRHJHSA-N 2 0 367.493 3.507 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431729522 940427401 /nfs/dbraw/zinc/42/74/01/940427401.db2.gz RBXDEWZBMYEBMU-KNQAVFIVSA-N 2 0 371.569 3.942 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000644096815 940444447 /nfs/dbraw/zinc/44/44/47/940444447.db2.gz SMRLVWWWQGTTKE-XMSQKQJNSA-N 2 0 365.521 3.661 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000414059419 940468369 /nfs/dbraw/zinc/46/83/69/940468369.db2.gz IOEQCIBKADBRFM-FXAWDEMLSA-N 2 0 372.582 3.733 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431749229 940469626 /nfs/dbraw/zinc/46/96/26/940469626.db2.gz BPQLWZNKIBPLDH-SBHAEUEKSA-N 2 0 359.558 3.554 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414063962 940472585 /nfs/dbraw/zinc/47/25/85/940472585.db2.gz DHOCVIMZDXBMNG-LMNJBCLMSA-N 2 0 363.977 3.839 20 0 FHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000414069969 940476402 /nfs/dbraw/zinc/47/64/02/940476402.db2.gz AIGRLZNXZQSDJE-NHCUHLMSSA-N 2 0 374.569 3.715 20 0 FHADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000414069960 940476437 /nfs/dbraw/zinc/47/64/37/940476437.db2.gz AIGRLZNXZQSDJE-LEWJYISDSA-N 2 0 374.569 3.715 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414100865 940504393 /nfs/dbraw/zinc/50/43/93/940504393.db2.gz LOMQGKLAEWISNF-HBFSDRIKSA-N 2 0 352.526 3.781 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414111602 940591211 /nfs/dbraw/zinc/59/12/11/940591211.db2.gz MOTUDUUKHUYOLM-UYAOXDASSA-N 2 0 363.977 3.982 20 0 FHADRP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@H]1CCCC[NH+]1C ZINC000173952428 940689809 /nfs/dbraw/zinc/68/98/09/940689809.db2.gz JFIUDTFTJJWKGG-OAHLLOKOSA-N 2 0 355.885 3.614 20 0 FHADRP Cc1cc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1C(C)C ZINC000613440941 940712522 /nfs/dbraw/zinc/71/25/22/940712522.db2.gz HWJPCJPQYSGOEL-UHFFFAOYSA-N 2 0 360.542 3.541 20 0 FHADRP CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000660638600 945342364 /nfs/dbraw/zinc/34/23/64/945342364.db2.gz NHLASCVGXJCQBS-QFIPXVFZSA-N 2 0 367.537 3.917 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892580483 940835817 /nfs/dbraw/zinc/83/58/17/940835817.db2.gz KSUMCANXOGILNX-QGZVFWFLSA-N 2 0 352.526 3.962 20 0 FHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660658478 945359809 /nfs/dbraw/zinc/35/98/09/945359809.db2.gz CUXXSXBOVUCFPC-JOCHJYFZSA-N 2 0 357.542 3.748 20 0 FHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657484 945358399 /nfs/dbraw/zinc/35/83/99/945358399.db2.gz QNIJLIXKBUJVQO-JOCHJYFZSA-N 2 0 351.494 3.586 20 0 FHADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414312513 940949779 /nfs/dbraw/zinc/94/97/79/940949779.db2.gz WQBYJRFKNCCXCN-PGRDOPGGSA-N 2 0 350.506 3.537 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000414319590 940956602 /nfs/dbraw/zinc/95/66/02/940956602.db2.gz AEGPCFUIWNMTMI-QFIPXVFZSA-N 2 0 371.569 3.832 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCCCC1 ZINC000414328482 940978916 /nfs/dbraw/zinc/97/89/16/940978916.db2.gz ABRWXJTWSZIEET-SFHVURJKSA-N 2 0 371.569 3.832 20 0 FHADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414326424 940980777 /nfs/dbraw/zinc/98/07/77/940980777.db2.gz ANOFECPCAJNLSC-OOYIDZMOSA-N 2 0 356.554 3.818 20 0 FHADRP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335046 940997140 /nfs/dbraw/zinc/99/71/40/940997140.db2.gz XSWUUCUCABMGNP-SFHVURJKSA-N 2 0 365.521 3.543 20 0 FHADRP CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335774 940998693 /nfs/dbraw/zinc/99/86/93/940998693.db2.gz YNNALXNYPKQAFB-UWJYYQICSA-N 2 0 359.558 3.688 20 0 FHADRP CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414338411 941004098 /nfs/dbraw/zinc/00/40/98/941004098.db2.gz KMSRAMCSSTYYKD-ROUUACIJSA-N 2 0 359.558 3.688 20 0 FHADRP OC1(c2cccc(Cl)c2)CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000376470036 941061313 /nfs/dbraw/zinc/06/13/13/941061313.db2.gz YBEUSJJYHSUUSG-UHFFFAOYSA-N 2 0 362.945 3.934 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000539851686 941061467 /nfs/dbraw/zinc/06/14/67/941061467.db2.gz RQZKVDUYKQTPMZ-UHFFFAOYSA-N 2 0 355.320 3.709 20 0 FHADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1cccc(F)c1 ZINC000057891103 941069955 /nfs/dbraw/zinc/06/99/55/941069955.db2.gz HIFRTLPEMHOVNT-UHFFFAOYSA-N 2 0 361.505 3.742 20 0 FHADRP C(CCC[N@@H+]1CCCC12CCOCC2)CC[NH+]1CCCC12CCOCC2 ZINC000376541809 941124841 /nfs/dbraw/zinc/12/48/41/941124841.db2.gz VSANOLACCGWSLA-UHFFFAOYSA-N 2 0 364.574 3.837 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000311255640 941151913 /nfs/dbraw/zinc/15/19/13/941151913.db2.gz NNBCQEHJBMTCHT-IBGZPJMESA-N 2 0 361.530 3.627 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000311255641 941152155 /nfs/dbraw/zinc/15/21/55/941152155.db2.gz NNBCQEHJBMTCHT-LJQANCHMSA-N 2 0 361.530 3.627 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000178368021 941237694 /nfs/dbraw/zinc/23/76/94/941237694.db2.gz HZPFVYJGIUFMMB-LPHOPBHVSA-N 2 0 369.475 3.656 20 0 FHADRP Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647651182 941263439 /nfs/dbraw/zinc/26/34/39/941263439.db2.gz CPFAFFBQAFSWTD-OAQYLSRUSA-N 2 0 366.509 3.594 20 0 FHADRP CCc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000178515520 941270661 /nfs/dbraw/zinc/27/06/61/941270661.db2.gz PBYIEQDJWZQKFP-UHFFFAOYSA-N 2 0 361.493 3.556 20 0 FHADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000179174013 941338743 /nfs/dbraw/zinc/33/87/43/941338743.db2.gz PCAANPBJNUZKBZ-APWZRJJASA-N 2 0 368.477 3.668 20 0 FHADRP c1cncc(CN2CCC[C@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673499 941377228 /nfs/dbraw/zinc/37/72/28/941377228.db2.gz RBGKEJAWNVASDD-DENIHFKCSA-N 2 0 350.510 3.820 20 0 FHADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414857411 941487775 /nfs/dbraw/zinc/48/77/75/941487775.db2.gz PKOLQRPFEKVDJL-QFBILLFUSA-N 2 0 372.484 3.891 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415034283 941557269 /nfs/dbraw/zinc/55/72/69/941557269.db2.gz CPNFQFNHAIKSNO-JXFKEZNVSA-N 2 0 358.917 3.798 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468560217 941561448 /nfs/dbraw/zinc/56/14/48/941561448.db2.gz MQKZGPMFWDWQCU-OALUTQOASA-N 2 0 350.934 3.801 20 0 FHADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000415052028 941567606 /nfs/dbraw/zinc/56/76/06/941567606.db2.gz GSAGKOSUXGEVSS-XMSQKQJNSA-N 2 0 353.510 3.694 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415051706 941567712 /nfs/dbraw/zinc/56/77/12/941567712.db2.gz MKWRDYLPCDGLGT-TZIWHRDSSA-N 2 0 351.494 3.721 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058764 941571044 /nfs/dbraw/zinc/57/10/44/941571044.db2.gz WETWCIHSZSRMTK-RXVVDRJESA-N 2 0 371.550 3.995 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415075900 941586852 /nfs/dbraw/zinc/58/68/52/941586852.db2.gz APHGXOABLMWEMN-YPAWHYETSA-N 2 0 372.553 3.644 20 0 FHADRP c1sc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000415075567 941586928 /nfs/dbraw/zinc/58/69/28/941586928.db2.gz BTEVFRPJBIIWHA-KSZLIROESA-N 2 0 356.539 3.648 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)ccc1OCc1ccncc1 ZINC000415092011 941601691 /nfs/dbraw/zinc/60/16/91/941601691.db2.gz RUJCBWFAYPPYDX-ABSDTBQOSA-N 2 0 369.509 3.850 20 0 FHADRP C[C@H](CC[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415126307 941615608 /nfs/dbraw/zinc/61/56/08/941615608.db2.gz GJOIZYHNHBZWGL-HXUWFJFHSA-N 2 0 351.538 3.763 20 0 FHADRP Cc1ccc(CC[C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415134253 941621019 /nfs/dbraw/zinc/62/10/19/941621019.db2.gz OGWTWFAODYSABD-NRFANRHFSA-N 2 0 365.565 3.899 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)C1 ZINC000415128622 941622713 /nfs/dbraw/zinc/62/27/13/941622713.db2.gz SOOBBAMDHJEXPS-YOEHRIQHSA-N 2 0 374.859 3.660 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c2ccccc12 ZINC000415128974 941623122 /nfs/dbraw/zinc/62/31/22/941623122.db2.gz SXYSLRNMKQHKTD-PGRDOPGGSA-N 2 0 354.494 3.567 20 0 FHADRP NC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415131903 941624394 /nfs/dbraw/zinc/62/43/94/941624394.db2.gz KEYMHOQYZWLLJF-DHIUTWEWSA-N 2 0 363.549 3.906 20 0 FHADRP NC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137865 941626381 /nfs/dbraw/zinc/62/63/81/941626381.db2.gz UHJYMKURAFVBND-QZTJIDSGSA-N 2 0 369.475 3.691 20 0 FHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415140844 941628222 /nfs/dbraw/zinc/62/82/22/941628222.db2.gz ZMYMKFBLTXOHFK-GOSISDBHSA-N 2 0 371.956 3.854 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430005899 941804624 /nfs/dbraw/zinc/80/46/24/941804624.db2.gz ODFFDNLNCSEVIN-QGZVFWFLSA-N 2 0 351.485 3.744 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000263369315 941845621 /nfs/dbraw/zinc/84/56/21/941845621.db2.gz XJVDDKXTRQVJHA-GCJKJVERSA-N 2 0 365.521 3.767 20 0 FHADRP C[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377628018 941854737 /nfs/dbraw/zinc/85/47/37/941854737.db2.gz QBBRQGXGVKENQW-DLBZAZTESA-N 2 0 369.475 3.726 20 0 FHADRP C[C@H](c1ccccc1C(F)(F)F)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377634813 941858614 /nfs/dbraw/zinc/85/86/14/941858614.db2.gz YTHVPNDETUWRPO-MRXNPFEDSA-N 2 0 369.475 3.726 20 0 FHADRP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709109 941919953 /nfs/dbraw/zinc/91/99/53/941919953.db2.gz UOBYMUCJMKACOT-UHFFFAOYSA-N 2 0 361.493 3.677 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1OCc1ccccc1 ZINC000377784941 941981929 /nfs/dbraw/zinc/98/19/29/941981929.db2.gz QKTXKPINQDLSKI-GOSISDBHSA-N 2 0 363.461 3.644 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([S@@](C)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513512673 941983688 /nfs/dbraw/zinc/98/36/88/941983688.db2.gz PHWXXSDHRPVNGO-JJHGTGHCSA-N 2 0 370.562 3.814 20 0 FHADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1nc3ccc(Br)cc3o1)CC2 ZINC001279748999 941998759 /nfs/dbraw/zinc/99/87/59/941998759.db2.gz RCXCSLJKKFXXKR-UHFFFAOYSA-N 2 0 364.287 3.508 20 0 FHADRP O=C(NCCCCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549341440 942015831 /nfs/dbraw/zinc/01/58/31/942015831.db2.gz XZAZDLVYECGSLP-UHFFFAOYSA-N 2 0 357.542 3.668 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000163789410 942020003 /nfs/dbraw/zinc/02/00/03/942020003.db2.gz CSJHCRIOAHBBRQ-SFHVURJKSA-N 2 0 363.509 3.960 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1 ZINC000415789254 942053307 /nfs/dbraw/zinc/05/33/07/942053307.db2.gz NWCMDWBKADODDH-JLTOFOAXSA-N 2 0 352.482 3.577 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513652493 942056233 /nfs/dbraw/zinc/05/62/33/942056233.db2.gz ASSZPRTVQULMKO-HBMCJLEFSA-N 2 0 352.526 3.958 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513666248 942064424 /nfs/dbraw/zinc/06/44/24/942064424.db2.gz KIEQPVNQNBRHBU-BDTNDASRSA-N 2 0 352.526 3.576 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000415894874 942122549 /nfs/dbraw/zinc/12/25/49/942122549.db2.gz ACEDDSXIUBUMMM-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000415895847 942123205 /nfs/dbraw/zinc/12/32/05/942123205.db2.gz CBOYDTNNETYOAN-IBGZPJMESA-N 2 0 372.538 3.552 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415905877 942133775 /nfs/dbraw/zinc/13/37/75/942133775.db2.gz JCHQLKQIUHAUCY-ICSRJNTNSA-N 2 0 372.557 3.914 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000415905881 942134122 /nfs/dbraw/zinc/13/41/22/942134122.db2.gz JCHQLKQIUHAUCY-UYAOXDASSA-N 2 0 372.557 3.914 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000415907671 942135775 /nfs/dbraw/zinc/13/57/75/942135775.db2.gz BSFCQJUQWRFMTE-ZWKOTPCHSA-N 2 0 358.530 3.524 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000415916885 942141214 /nfs/dbraw/zinc/14/12/14/942141214.db2.gz IENYJQSOCKCRRP-KRWDZBQOSA-N 2 0 366.509 3.753 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000415924392 942151920 /nfs/dbraw/zinc/15/19/20/942151920.db2.gz WKLDZMMIIFDDRJ-UZLBHIALSA-N 2 0 354.498 3.609 20 0 FHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415931433 942158603 /nfs/dbraw/zinc/15/86/03/942158603.db2.gz LWCZHBNOKLDHSL-UHFFFAOYSA-N 2 0 360.546 3.916 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000415933823 942159917 /nfs/dbraw/zinc/15/99/17/942159917.db2.gz QHLLXPFTAKMUHR-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](CCC(C)(C)C)C2 ZINC001279880117 942163972 /nfs/dbraw/zinc/16/39/72/942163972.db2.gz PWTCWOGDXNJFHV-UGKGYDQZSA-N 2 0 365.606 3.715 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000501991169 942167533 /nfs/dbraw/zinc/16/75/33/942167533.db2.gz VPNAINMLNNVJSW-GIVPXCGWSA-N 2 0 359.558 3.570 20 0 FHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415974111 942211123 /nfs/dbraw/zinc/21/11/23/942211123.db2.gz RKRJPZVLJQPPQO-MRXNPFEDSA-N 2 0 372.435 3.550 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000501009291 942255790 /nfs/dbraw/zinc/25/57/90/942255790.db2.gz AYDBOROLGDPPKQ-GOSISDBHSA-N 2 0 357.464 3.686 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c4ccccc34)C2)CC1 ZINC000420918182 942267453 /nfs/dbraw/zinc/26/74/53/942267453.db2.gz VFWVXIGXVBLWKS-GOSISDBHSA-N 2 0 357.929 3.705 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000501058808 942282210 /nfs/dbraw/zinc/28/22/10/942282210.db2.gz JNTOWMLGJAYTEK-HSZRJFAPSA-N 2 0 369.528 3.921 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3csc4ccccc34)CC2)CC1 ZINC000420986057 942282712 /nfs/dbraw/zinc/28/27/12/942282712.db2.gz XNAMMPRSPBCIOG-UHFFFAOYSA-N 2 0 357.567 3.893 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)C[C@@H](C)O1 ZINC000502270108 942322188 /nfs/dbraw/zinc/32/21/88/942322188.db2.gz QLFONQXJQZYZSH-KNKQGSTJSA-N 2 0 372.553 3.735 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000502321876 942353210 /nfs/dbraw/zinc/35/32/10/942353210.db2.gz YTHRHVTVQAKPCH-UHFFFAOYSA-N 2 0 373.504 3.603 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000502388491 942399652 /nfs/dbraw/zinc/39/96/52/942399652.db2.gz FFRVVKVNBVTSOB-JOCHJYFZSA-N 2 0 372.553 3.643 20 0 FHADRP C[NH+](C)[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000416150698 942406230 /nfs/dbraw/zinc/40/62/30/942406230.db2.gz LONWVPFNCRFOSS-IFMALSPDSA-N 2 0 371.569 3.794 20 0 FHADRP CCC(CC)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000236668255 942433447 /nfs/dbraw/zinc/43/34/47/942433447.db2.gz WAUMIWYKNAWYOG-LJQANCHMSA-N 2 0 367.578 3.876 20 0 FHADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000549404206 942434490 /nfs/dbraw/zinc/43/44/90/942434490.db2.gz ZPNPXBPWQRWREY-LJQANCHMSA-N 2 0 352.526 3.559 20 0 FHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000501386134 942454323 /nfs/dbraw/zinc/45/43/23/942454323.db2.gz JTGVQYSVBGVGBT-GHTZIAJQSA-N 2 0 353.510 3.838 20 0 FHADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299828 942455865 /nfs/dbraw/zinc/45/58/65/942455865.db2.gz ZKMZJXOUDNIPCE-OAQYLSRUSA-N 2 0 361.574 3.508 20 0 FHADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513714028 942461793 /nfs/dbraw/zinc/46/17/93/942461793.db2.gz XBVDWLHZPIQLRU-KJXAQDMKSA-N 2 0 366.553 3.763 20 0 FHADRP C[NH+](C)[C@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000416188317 942463144 /nfs/dbraw/zinc/46/31/44/942463144.db2.gz IGQVDBCDYCTTJM-JOCHJYFZSA-N 2 0 365.521 3.956 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501409821 942465313 /nfs/dbraw/zinc/46/53/13/942465313.db2.gz DVZIYNDSBVQYJP-ICFOKQHNSA-N 2 0 369.475 3.726 20 0 FHADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414828387 942469756 /nfs/dbraw/zinc/46/97/56/942469756.db2.gz ITGWXFOCVHUPNB-KRWDZBQOSA-N 2 0 366.534 3.749 20 0 FHADRP Cc1nccn1C[C@@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000513713755 942475412 /nfs/dbraw/zinc/47/54/12/942475412.db2.gz SQVMOHGKBVMRBD-XTWGIRIWSA-N 2 0 354.542 3.860 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414829845 942479821 /nfs/dbraw/zinc/47/98/21/942479821.db2.gz BODIRYBZTZLBCR-KRWDZBQOSA-N 2 0 360.933 3.681 20 0 FHADRP CCCC[NH+](CCCC)CCNc1cccc2cc([C@H]3C[NH2+]CCO3)cn21 ZINC001167733516 942486610 /nfs/dbraw/zinc/48/66/10/942486610.db2.gz XYOJDAIFLJODSI-OAQYLSRUSA-N 2 0 372.557 3.914 20 0 FHADRP CCC[NH+]1CCC(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501481511 942504796 /nfs/dbraw/zinc/50/47/96/942504796.db2.gz SBKAXQZKNYGRHR-UHFFFAOYSA-N 2 0 361.274 3.939 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C)C(C)C ZINC000505367523 942505697 /nfs/dbraw/zinc/50/56/97/942505697.db2.gz VDCLEMMBZAPZOE-UHFFFAOYSA-N 2 0 359.514 3.685 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2c1 ZINC000414838208 942539105 /nfs/dbraw/zinc/53/91/05/942539105.db2.gz KZTQFIRPAGZZDH-SFHVURJKSA-N 2 0 352.526 3.704 20 0 FHADRP COc1ccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccsc2)cc1OC ZINC000420295232 942598570 /nfs/dbraw/zinc/59/85/70/942598570.db2.gz BYXCONZTMNDHBI-SFHVURJKSA-N 2 0 374.550 3.810 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccco1 ZINC000163965439 942601953 /nfs/dbraw/zinc/60/19/53/942601953.db2.gz WQDVLAPTBLZODM-KRWDZBQOSA-N 2 0 358.482 3.620 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(OC3CCC(C)CC3)CC2)cc1 ZINC000420298506 942608840 /nfs/dbraw/zinc/60/88/40/942608840.db2.gz HJXQSVQNVYLBRW-MOMVYJMYSA-N 2 0 360.542 3.797 20 0 FHADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000420299774 942609968 /nfs/dbraw/zinc/60/99/68/942609968.db2.gz UJPUYOIORRNAGX-UTKZUKDTSA-N 2 0 351.494 3.734 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305778 942612123 /nfs/dbraw/zinc/61/21/23/942612123.db2.gz KLYMOPMCKDOHTK-TZMCWYRMSA-N 2 0 360.914 3.885 20 0 FHADRP FC1(F)CCC[C@@H](C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000420307539 942613172 /nfs/dbraw/zinc/61/31/72/942613172.db2.gz IZHOVMYUKRAMEZ-HUUCEWRRSA-N 2 0 355.498 3.913 20 0 FHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311739 942615287 /nfs/dbraw/zinc/61/52/87/942615287.db2.gz RJWWBFKMRNGWBU-IPELMVKDSA-N 2 0 356.901 3.665 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338298 942622878 /nfs/dbraw/zinc/62/28/78/942622878.db2.gz KPUHHMMAXAUJBZ-LEWJYISDSA-N 2 0 363.505 3.760 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000420341987 942626026 /nfs/dbraw/zinc/62/60/26/942626026.db2.gz PDDWUEOLQAUESH-XIRDDKMYSA-N 2 0 358.461 3.567 20 0 FHADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345662 942626587 /nfs/dbraw/zinc/62/65/87/942626587.db2.gz WHPYORIRGWLVTF-UXHICEINSA-N 2 0 363.505 3.614 20 0 FHADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327054 942630394 /nfs/dbraw/zinc/63/03/94/942630394.db2.gz CRJGWCDWGYLYDK-UIFIKXQLSA-N 2 0 363.505 3.931 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000420370113 942643269 /nfs/dbraw/zinc/64/32/69/942643269.db2.gz CFGNRJVTWHWKLL-AEFFLSMTSA-N 2 0 373.324 3.591 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000420376556 942645338 /nfs/dbraw/zinc/64/53/38/942645338.db2.gz JYVWRULERKZGCR-ICSRJNTNSA-N 2 0 366.933 3.846 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420380413 942647173 /nfs/dbraw/zinc/64/71/73/942647173.db2.gz OCMIQVXEJYCCJI-BPAFIMBUSA-N 2 0 355.482 3.621 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000420388155 942651194 /nfs/dbraw/zinc/65/11/94/942651194.db2.gz WWZKNZSPRAFQCX-IFMALSPDSA-N 2 0 358.526 3.533 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420392063 942652957 /nfs/dbraw/zinc/65/29/57/942652957.db2.gz PGJDKOQWBXPASK-QBIMZIAESA-N 2 0 372.431 3.865 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420375632 942656072 /nfs/dbraw/zinc/65/60/72/942656072.db2.gz JECLKAHOMHVPAY-FSPWUOQZSA-N 2 0 354.441 3.567 20 0 FHADRP COC(=O)c1cc2cc(C[NH+]3CCC(CCC[NH+](C)C)CC3)ccc2o1 ZINC000501770295 942659550 /nfs/dbraw/zinc/65/95/50/942659550.db2.gz NXYIEEZMMPKOKO-UHFFFAOYSA-N 2 0 358.482 3.773 20 0 FHADRP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406022 942663783 /nfs/dbraw/zinc/66/37/83/942663783.db2.gz NIBKMQDWNKNVFW-FUHIMQAGSA-N 2 0 351.494 3.917 20 0 FHADRP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C2CC2)cc1 ZINC000501780273 942669651 /nfs/dbraw/zinc/66/96/51/942669651.db2.gz YUBNYVOVSBLFOH-HSZRJFAPSA-N 2 0 371.569 3.616 20 0 FHADRP CCN(C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)C1CCCCC1 ZINC000501786578 942672777 /nfs/dbraw/zinc/67/27/77/942672777.db2.gz SIYRIYKOJCZOIC-SFHVURJKSA-N 2 0 351.579 3.610 20 0 FHADRP Cc1nccn1CCCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000502705991 942672982 /nfs/dbraw/zinc/67/29/82/942672982.db2.gz LJSSXZLMPNVFDK-UHFFFAOYSA-N 2 0 369.296 3.849 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000501790163 942673212 /nfs/dbraw/zinc/67/32/12/942673212.db2.gz NRKMZYASLFCUOU-UHFFFAOYSA-N 2 0 366.553 3.915 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000514082726 942734321 /nfs/dbraw/zinc/73/43/21/942734321.db2.gz IDXDXDLNQDXRFM-HSALFYBXSA-N 2 0 355.457 3.975 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H]4CCC[C@@H]43)cc2)C1 ZINC000514090697 942741316 /nfs/dbraw/zinc/74/13/16/942741316.db2.gz WFJQPIPBNMGCCH-RLLPEYFOSA-N 3 0 355.570 3.881 20 0 FHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106162 942749481 /nfs/dbraw/zinc/74/94/81/942749481.db2.gz WIZMEBBCTYBACL-BXXSPATCSA-N 3 0 355.570 3.609 20 0 FHADRP Clc1cccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000434544503 942759132 /nfs/dbraw/zinc/75/91/32/942759132.db2.gz NHMGLDFISZABQB-UHFFFAOYSA-N 2 0 357.325 3.580 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421820577 942831248 /nfs/dbraw/zinc/83/12/48/942831248.db2.gz MWVGHIOPLWVCGC-NRFANRHFSA-N 2 0 365.537 3.539 20 0 FHADRP C/C(=C\c1ccccc1)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414556253 942846513 /nfs/dbraw/zinc/84/65/13/942846513.db2.gz YBQMQBCVMPDOCQ-CAPFRKAQSA-N 2 0 350.506 3.707 20 0 FHADRP OC1(C[NH2+]Cc2cnc(C3CCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000414557378 942860509 /nfs/dbraw/zinc/86/05/09/942860509.db2.gz ZVJBEVOEEMCCHD-UHFFFAOYSA-N 2 0 371.550 3.527 20 0 FHADRP COC1(C)CC[NH+](Cc2ccccc2C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000271793770 943051297 /nfs/dbraw/zinc/05/12/97/943051297.db2.gz VFKTVRIICRONLJ-UHFFFAOYSA-N 2 0 360.542 3.688 20 0 FHADRP CC(C)[N@@H+]1CCc2nc(CN3C[C@@H](C)[NH2+]Cc4ccc(F)cc43)sc2C1 ZINC000414865937 943137631 /nfs/dbraw/zinc/13/76/31/943137631.db2.gz GEHHXFXRCJISFQ-CQSZACIVSA-N 2 0 374.529 3.547 20 0 FHADRP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000514634323 943165936 /nfs/dbraw/zinc/16/59/36/943165936.db2.gz FGYKMMNGJOBIOD-OXJNMPFZSA-N 2 0 368.477 3.649 20 0 FHADRP CC(C)CC(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272648841 943193080 /nfs/dbraw/zinc/19/30/80/943193080.db2.gz JTUFACAGJOHEBD-CTNGQTDRSA-N 2 0 371.569 3.524 20 0 FHADRP CCCCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673002 943201896 /nfs/dbraw/zinc/20/18/96/943201896.db2.gz BJWJEOKOOWDZQG-GOSISDBHSA-N 2 0 365.949 3.530 20 0 FHADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000514668548 943203107 /nfs/dbraw/zinc/20/31/07/943203107.db2.gz ILVBMNPFSJTZOH-OXQOHEQNSA-N 2 0 368.949 3.633 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000422696110 943234507 /nfs/dbraw/zinc/23/45/07/943234507.db2.gz QSMILSJQBHRLDM-BZUAXINKSA-N 2 0 354.441 3.697 20 0 FHADRP COc1ccc([C@H](NCCCCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422712971 943245096 /nfs/dbraw/zinc/24/50/96/943245096.db2.gz JEQPJDOLSCIUTP-VXKWHMMOSA-N 2 0 359.558 3.734 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1)C(C)C ZINC000511593549 943248902 /nfs/dbraw/zinc/24/89/02/943248902.db2.gz NWVVQRPRVQCWOS-UHFFFAOYSA-N 2 0 359.558 3.911 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000422732725 943249925 /nfs/dbraw/zinc/24/99/25/943249925.db2.gz QFQHKTDKPKPRNR-QWHCGFSZSA-N 2 0 358.935 3.764 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714447 943253849 /nfs/dbraw/zinc/25/38/49/943253849.db2.gz QZNSQQWZVCXFJV-HNAYVOBHSA-N 2 0 369.475 3.648 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000416969633 943262722 /nfs/dbraw/zinc/26/27/22/943262722.db2.gz CDYADCPZYHHTDB-WIYYLYMNSA-N 2 0 374.573 3.576 20 0 FHADRP C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCCCC1)C1C[NH2+]C1 ZINC000422759805 943263051 /nfs/dbraw/zinc/26/30/51/943263051.db2.gz KEECXOTWZLLGOG-AWEZNQCLSA-N 2 0 351.332 3.849 20 0 FHADRP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCCCC1)C1C[NH2+]C1 ZINC000422759808 943263146 /nfs/dbraw/zinc/26/31/46/943263146.db2.gz KEECXOTWZLLGOG-CQSZACIVSA-N 2 0 351.332 3.849 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1Cl ZINC000422737741 943264716 /nfs/dbraw/zinc/26/47/16/943264716.db2.gz XVTKLQBWCOYSIQ-FHLIZLRMSA-N 2 0 354.897 3.503 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000422738564 943266365 /nfs/dbraw/zinc/26/63/65/943266365.db2.gz JVOXSWXLHKGTKJ-PVXIVEMSSA-N 2 0 373.360 3.576 20 0 FHADRP C[C@@H]([NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000422744549 943269497 /nfs/dbraw/zinc/26/94/97/943269497.db2.gz TVUBJURPJUEFNR-LSSIXWDNSA-N 2 0 355.345 3.820 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)COCc1ccccc1 ZINC000422765733 943275045 /nfs/dbraw/zinc/27/50/45/943275045.db2.gz REBKOAAGTAWJJU-AAIMPIBUSA-N 2 0 366.505 3.685 20 0 FHADRP Brc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422767609 943275552 /nfs/dbraw/zinc/27/55/52/943275552.db2.gz TUNGQZDWCTYJSO-IEBWSBKVSA-N 2 0 373.294 3.795 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000422771915 943277736 /nfs/dbraw/zinc/27/77/36/943277736.db2.gz WHMCIEWAFWIART-SJBKTWHCSA-N 2 0 373.585 3.787 20 0 FHADRP C[C@H](OCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422776371 943278941 /nfs/dbraw/zinc/27/89/41/943278941.db2.gz AJRCDSGJCNKALJ-ZEYPLWLESA-N 2 0 366.505 4.000 20 0 FHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422783329 943281616 /nfs/dbraw/zinc/28/16/16/943281616.db2.gz HGNLUVANULOJGG-SFGWALBWSA-N 2 0 352.478 3.608 20 0 FHADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422784506 943281779 /nfs/dbraw/zinc/28/17/79/943281779.db2.gz MHZFAVJUSXOTMM-NJDAHSKKSA-N 2 0 361.961 3.815 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422785644 943282647 /nfs/dbraw/zinc/28/26/47/943282647.db2.gz NPRGGOAWZPDCJF-VGSWGCGISA-N 2 0 371.956 3.853 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422764458 943284830 /nfs/dbraw/zinc/28/48/30/943284830.db2.gz PQYYGSVPWGFUAL-SLFFLAALSA-N 2 0 362.945 3.899 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764324 943284836 /nfs/dbraw/zinc/28/48/36/943284836.db2.gz PWNHAOKXVUMNDT-ILXVDBEPSA-N 3 0 357.464 3.804 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422798132 943287164 /nfs/dbraw/zinc/28/71/64/943287164.db2.gz PVZORHFEFWQDJG-RFVSGWPVSA-N 2 0 358.432 3.914 20 0 FHADRP CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1cccc(OC)c1 ZINC000422800038 943288696 /nfs/dbraw/zinc/28/86/96/943288696.db2.gz ZEYFOIYGEPVSOY-ZHRRBRCNSA-N 2 0 370.541 3.591 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cnn1-c1ccc(F)cc1 ZINC000422791500 943293919 /nfs/dbraw/zinc/29/39/19/943293919.db2.gz VZVOVMDCJOCGHI-HIFRSBDPSA-N 2 0 367.472 3.894 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cnn1-c1ccc(F)cc1 ZINC000422791502 943294300 /nfs/dbraw/zinc/29/43/00/943294300.db2.gz VZVOVMDCJOCGHI-ZFWWWQNUSA-N 2 0 367.472 3.894 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1cccc2cccnc21 ZINC000422819792 943295478 /nfs/dbraw/zinc/29/54/78/943295478.db2.gz OEJIHGDQECZMBP-NFBKMPQASA-N 2 0 359.473 3.623 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422830654 943298795 /nfs/dbraw/zinc/29/87/95/943298795.db2.gz WAPMBPLCCAPXQT-GDBMZVCRSA-N 2 0 367.921 3.578 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422832188 943299008 /nfs/dbraw/zinc/29/90/08/943299008.db2.gz KPGABBQVJWFPPQ-JAXLGGSGSA-N 2 0 351.494 3.667 20 0 FHADRP CCOCc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835267 943299598 /nfs/dbraw/zinc/29/95/98/943299598.db2.gz PDJLSBVRUULHBM-IRLDBZIGSA-N 2 0 352.478 3.569 20 0 FHADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422847540 943304068 /nfs/dbraw/zinc/30/40/68/943304068.db2.gz RQURBKIPQTVVHD-ZYSHUDEJSA-N 2 0 364.480 3.523 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422857060 943307040 /nfs/dbraw/zinc/30/70/40/943307040.db2.gz GODXGLSZFBDWMM-ZBFHGGJFSA-N 2 0 351.922 3.877 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000422859711 943308498 /nfs/dbraw/zinc/30/84/98/943308498.db2.gz KELMWFWNNLLXNR-XPWALMASSA-N 2 0 366.553 3.932 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422867966 943310769 /nfs/dbraw/zinc/31/07/69/943310769.db2.gz UBFACOUYDBRAJM-BDKRGJGYSA-N 2 0 372.553 3.811 20 0 FHADRP c1ccc(C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422841894 943311523 /nfs/dbraw/zinc/31/15/23/943311523.db2.gz XBBKXXLBIOMQEX-UEQSERJNSA-N 2 0 364.533 3.760 20 0 FHADRP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422844598 943312689 /nfs/dbraw/zinc/31/26/89/943312689.db2.gz MIHVRYHLBHUSIZ-AUSIDOKSSA-N 2 0 364.489 3.572 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422876100 943313743 /nfs/dbraw/zinc/31/37/43/943313743.db2.gz FAHNYFKIODQAEN-RDJZCZTQSA-N 2 0 372.944 3.988 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnccc1N ZINC000422880444 943314809 /nfs/dbraw/zinc/31/48/09/943314809.db2.gz LWVMFCVGOJSVRW-KSZLIROESA-N 2 0 352.526 3.823 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422880431 943315202 /nfs/dbraw/zinc/31/52/02/943315202.db2.gz LUOMTXWVDRKODX-FXAWDEMLSA-N 2 0 357.567 3.955 20 0 FHADRP COc1ccc([C@H](NCCCC[NH+]2CCC(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422882061 943315647 /nfs/dbraw/zinc/31/56/47/943315647.db2.gz OWKVRMRVKGYBKJ-VXKWHMMOSA-N 2 0 359.558 3.590 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000422882626 943316383 /nfs/dbraw/zinc/31/63/83/943316383.db2.gz SSIJGJQMNZMTJY-DENIHFKCSA-N 2 0 352.522 3.591 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422888256 943318402 /nfs/dbraw/zinc/31/84/02/943318402.db2.gz CHKYKZHNKDZSTM-SFTDATJTSA-N 2 0 353.510 3.642 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000422873801 943322829 /nfs/dbraw/zinc/32/28/29/943322829.db2.gz BCLSOFLZZKXEAO-QZTJIDSGSA-N 3 0 366.553 3.931 20 0 FHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000422903302 943324978 /nfs/dbraw/zinc/32/49/78/943324978.db2.gz FJBVHACCRJIUMQ-YTFSRNRJSA-N 2 0 350.506 3.909 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422902190 943325340 /nfs/dbraw/zinc/32/53/40/943325340.db2.gz TZKNXWNCUWYCQF-RJGXRXQPSA-N 2 0 355.570 3.860 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCOCC1 ZINC000422906254 943326332 /nfs/dbraw/zinc/32/63/32/943326332.db2.gz UVHHGDUNDQEWCZ-QAPCUYQASA-N 2 0 366.933 3.504 20 0 FHADRP Cc1csc(CCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422906296 943326443 /nfs/dbraw/zinc/32/64/43/943326443.db2.gz JNEKCBDNXMFMLH-PXNSSMCTSA-N 2 0 357.523 3.620 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906957 943326596 /nfs/dbraw/zinc/32/65/96/943326596.db2.gz ANTFAZQWVMYKBW-PBHICJAKSA-N 2 0 358.436 3.522 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422907788 943327272 /nfs/dbraw/zinc/32/72/72/943327272.db2.gz XNWBLQZBPKJGNZ-YPAWHYETSA-N 2 0 372.553 3.644 20 0 FHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909494 943328137 /nfs/dbraw/zinc/32/81/37/943328137.db2.gz OESLTMOPWKHWBD-XQFWAAQXSA-N 2 0 371.569 3.733 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422894267 943330766 /nfs/dbraw/zinc/33/07/66/943330766.db2.gz BWSXUKMMOKLJAR-HMXCVIKNSA-N 2 0 372.553 3.562 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422895946 943331473 /nfs/dbraw/zinc/33/14/73/943331473.db2.gz GVYYBOZIBFVKQY-FDFHNCONSA-N 2 0 372.553 3.644 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422922565 943332643 /nfs/dbraw/zinc/33/26/43/943332643.db2.gz UAMFBIRIBKKZQO-KGSLJSCZSA-N 2 0 364.489 3.785 20 0 FHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)CC(C)(C)C)CC1 ZINC000511600975 943333923 /nfs/dbraw/zinc/33/39/23/943333923.db2.gz XWXRDFAFEYDDRZ-UHFFFAOYSA-N 2 0 359.558 3.524 20 0 FHADRP C[C@H]([NH2+][C@H]1CCSc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000422936274 943336967 /nfs/dbraw/zinc/33/69/67/943336967.db2.gz BFYXJSDGTSLSKT-HUBLWGQQSA-N 2 0 355.345 3.964 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000422936753 943338249 /nfs/dbraw/zinc/33/82/49/943338249.db2.gz BSCFHNXYQWJPDG-CYBMUJFWSA-N 2 0 360.299 3.951 20 0 FHADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422942175 943339751 /nfs/dbraw/zinc/33/97/51/943339751.db2.gz IWVXKIGLYTZFMW-LSDHHAIUSA-N 2 0 359.539 3.936 20 0 FHADRP COc1ccc([C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944127 943342086 /nfs/dbraw/zinc/34/20/86/943342086.db2.gz RRPWJTHQHJXDJN-MDNUFGMLSA-N 2 0 364.489 3.992 20 0 FHADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422963340 943342405 /nfs/dbraw/zinc/34/24/05/943342405.db2.gz FSWKCLJEDGWFNK-XPWALMASSA-N 2 0 372.553 3.783 20 0 FHADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422962619 943342995 /nfs/dbraw/zinc/34/29/95/943342995.db2.gz CWJJQJSQWXQPTH-HLRQEUIKSA-N 2 0 356.558 3.507 20 0 FHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422966833 943343629 /nfs/dbraw/zinc/34/36/29/943343629.db2.gz NZJCAMKSVVTKCZ-XPWALMASSA-N 2 0 350.506 3.909 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422943451 943344340 /nfs/dbraw/zinc/34/43/40/943344340.db2.gz LNVBIINNBGZKCY-MGPUTAFESA-N 2 0 353.441 3.571 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422967852 943344367 /nfs/dbraw/zinc/34/43/67/943344367.db2.gz UNQVCVMHRLVFIL-FDDCHVKYSA-N 2 0 362.521 3.661 20 0 FHADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000414707460 943344376 /nfs/dbraw/zinc/34/43/76/943344376.db2.gz HYWGIIMEPVEKLH-SJORKVTESA-N 2 0 358.530 3.665 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949445 943346247 /nfs/dbraw/zinc/34/62/47/943346247.db2.gz UFTZVJPBHLFMFH-IYXGRNATSA-N 2 0 350.506 3.627 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949446 943346308 /nfs/dbraw/zinc/34/63/08/943346308.db2.gz UFTZVJPBHLFMFH-PQJGELLGSA-N 2 0 350.506 3.627 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422950138 943346753 /nfs/dbraw/zinc/34/67/53/943346753.db2.gz VLFSOWGAWXVVPC-HNNXBMFYSA-N 2 0 369.347 3.604 20 0 FHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCCO2 ZINC000422950086 943347100 /nfs/dbraw/zinc/34/71/00/943347100.db2.gz VERJDRBEKPWNFT-DXIQSLLYSA-N 2 0 368.452 3.885 20 0 FHADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422951542 943347388 /nfs/dbraw/zinc/34/73/88/943347388.db2.gz YZDJQAMANYADEY-IRLDBZIGSA-N 2 0 352.478 3.528 20 0 FHADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422957432 943349663 /nfs/dbraw/zinc/34/96/63/943349663.db2.gz UBSSXRXAUSMEBE-HSALFYBXSA-N 2 0 353.510 3.904 20 0 FHADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000422960729 943350657 /nfs/dbraw/zinc/35/06/57/943350657.db2.gz XPACDCGNXJWXKB-SLFFLAALSA-N 2 0 368.525 3.742 20 0 FHADRP COc1ccc([C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422961181 943351412 /nfs/dbraw/zinc/35/14/12/943351412.db2.gz AZFQOQPUENCJLV-VWPQPMDRSA-N 2 0 369.509 3.508 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422990581 943352483 /nfs/dbraw/zinc/35/24/83/943352483.db2.gz NUAGTEASHILKCH-ZMYBRWDISA-N 2 0 364.411 3.591 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422990579 943352836 /nfs/dbraw/zinc/35/28/36/943352836.db2.gz NUAGTEASHILKCH-KYNGSXCRSA-N 2 0 364.411 3.591 20 0 FHADRP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973358 943355146 /nfs/dbraw/zinc/35/51/46/943355146.db2.gz ODNDUMBGBFUGQW-WOIUINJBSA-N 2 0 369.509 3.508 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435375096 943356498 /nfs/dbraw/zinc/35/64/98/943356498.db2.gz ZOHBCXJHYXLTSU-QFBILLFUSA-N 2 0 367.493 3.507 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435375095 943356632 /nfs/dbraw/zinc/35/66/32/943356632.db2.gz ZOHBCXJHYXLTSU-LPHOPBHVSA-N 2 0 367.493 3.507 20 0 FHADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000261880699 943358049 /nfs/dbraw/zinc/35/80/49/943358049.db2.gz WGNHQOQLXFNXFF-GOSISDBHSA-N 2 0 352.482 3.580 20 0 FHADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000261880704 943358465 /nfs/dbraw/zinc/35/84/65/943358465.db2.gz WGNHQOQLXFNXFF-SFHVURJKSA-N 2 0 352.482 3.580 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000422998159 943359372 /nfs/dbraw/zinc/35/93/72/943359372.db2.gz CKRBNUPCZSCPJC-FHGIMWBPSA-N 3 0 355.570 3.797 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996933 943359680 /nfs/dbraw/zinc/35/96/80/943359680.db2.gz AJKQQBJPJWARMB-SHBJFUFKSA-N 3 0 365.565 3.835 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422996862 943359760 /nfs/dbraw/zinc/35/97/60/943359760.db2.gz ACTBKYXVXBMPMA-RVHYNSKXSA-N 2 0 358.457 3.502 20 0 FHADRP Clc1ccc(COCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996891 943359796 /nfs/dbraw/zinc/35/97/96/943359796.db2.gz AEGOXOPZPMSMRR-PZJWPPBQSA-N 2 0 372.896 3.702 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c(F)c1 ZINC000423013262 943364769 /nfs/dbraw/zinc/36/47/69/943364769.db2.gz MLHYKLHFTOQDKI-UGKGYDQZSA-N 2 0 370.443 3.842 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014461 943364941 /nfs/dbraw/zinc/36/49/41/943364941.db2.gz PDNZXZMEYKCDLS-RISCZKNCSA-N 2 0 365.827 3.630 20 0 FHADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000414711766 943365146 /nfs/dbraw/zinc/36/51/46/943365146.db2.gz MXZKTSIIFFTEIV-VQIMIIECSA-N 2 0 358.530 3.652 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000423021158 943367213 /nfs/dbraw/zinc/36/72/13/943367213.db2.gz DNYBDNLYMQLMNH-MTFMMBMASA-N 2 0 360.542 3.783 20 0 FHADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423021529 943367827 /nfs/dbraw/zinc/36/78/27/943367827.db2.gz FQMDLQUBULFPSO-RGCFKVTRSA-N 2 0 353.913 3.579 20 0 FHADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028234 943370663 /nfs/dbraw/zinc/37/06/63/943370663.db2.gz SJWGINZVPYQZMZ-KNEBKQPDSA-N 2 0 351.897 3.568 20 0 FHADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033138 943372038 /nfs/dbraw/zinc/37/20/38/943372038.db2.gz WTCQNGZFQDGEPA-YWASFDNLSA-N 2 0 370.468 3.747 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CCCCC1 ZINC000423032751 943372401 /nfs/dbraw/zinc/37/24/01/943372401.db2.gz YOCZADHFVOBVCU-FCEWJHQRSA-N 2 0 350.934 3.884 20 0 FHADRP COCc1ccccc1/C=C(\C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000511607397 943375074 /nfs/dbraw/zinc/37/50/74/943375074.db2.gz WEQYHKHLHJLTMY-DNXBDCAASA-N 2 0 372.553 3.594 20 0 FHADRP CCSc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423063571 943379454 /nfs/dbraw/zinc/37/94/54/943379454.db2.gz PFUCFDUMERHUFP-XLIONFOSSA-N 2 0 355.507 3.539 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000435393521 943379538 /nfs/dbraw/zinc/37/95/38/943379538.db2.gz GPMYDKMZLCUXAW-AWEZNQCLSA-N 2 0 360.933 3.761 20 0 FHADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423080677 943386970 /nfs/dbraw/zinc/38/69/70/943386970.db2.gz ZUWCCMOQZDDYQK-MYGLTJDJSA-N 2 0 373.610 3.504 20 0 FHADRP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423084155 943388040 /nfs/dbraw/zinc/38/80/40/943388040.db2.gz HLZFBFGFJKJEQQ-DYXWJJEUSA-N 2 0 372.896 3.873 20 0 FHADRP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423084161 943388258 /nfs/dbraw/zinc/38/82/58/943388258.db2.gz HLZFBFGFJKJEQQ-SVFBPWRDSA-N 2 0 372.896 3.873 20 0 FHADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085194 943388917 /nfs/dbraw/zinc/38/89/17/943388917.db2.gz JZOOLXCUSIARIJ-CPLYBDICSA-N 2 0 373.507 3.692 20 0 FHADRP CCn1ccnc1C[N@H+](C[C@H](C)Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433252 943397046 /nfs/dbraw/zinc/39/70/46/943397046.db2.gz MZONXZCELNCORC-CTNGQTDRSA-N 2 0 366.553 3.726 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122960 943397782 /nfs/dbraw/zinc/39/77/82/943397782.db2.gz KJZJKJPOYHKSQU-AFXVXQJMSA-N 2 0 373.585 3.977 20 0 FHADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124782 943398505 /nfs/dbraw/zinc/39/85/05/943398505.db2.gz PCXCFSNLICQGFX-LCKKVJLRSA-N 2 0 364.489 3.752 20 0 FHADRP CC(=O)Nc1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435420885 943399881 /nfs/dbraw/zinc/39/98/81/943399881.db2.gz GHPXJDGQGNIHAX-FQEVSTJZSA-N 2 0 369.534 3.851 20 0 FHADRP CN(CCC(F)(F)F)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423106761 943402580 /nfs/dbraw/zinc/40/25/80/943402580.db2.gz PDCKHEMEHSIGEP-OWCLPIDISA-N 2 0 363.855 3.735 20 0 FHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000503885220 943402776 /nfs/dbraw/zinc/40/27/76/943402776.db2.gz KPKDSWMFKBEERW-FVVUREQNSA-N 2 0 350.453 3.647 20 0 FHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423147625 943407175 /nfs/dbraw/zinc/40/71/75/943407175.db2.gz SJOFUKBCXFHQBF-UQASEVPWSA-N 2 0 352.503 3.721 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCCC1 ZINC000423147539 943407332 /nfs/dbraw/zinc/40/73/32/943407332.db2.gz CTKQCFBKCRRQEO-SNRMKQJTSA-N 2 0 350.934 3.884 20 0 FHADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423146816 943407838 /nfs/dbraw/zinc/40/78/38/943407838.db2.gz BCDMMHBFEGBTDH-MTFMMBMASA-N 2 0 350.934 3.970 20 0 FHADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423146817 943408090 /nfs/dbraw/zinc/40/80/90/943408090.db2.gz BCDMMHBFEGBTDH-OJAHFUOMSA-N 2 0 350.934 3.970 20 0 FHADRP c1cc(C[N@H+](Cc2ccc3c(c2)OCCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430053 943408791 /nfs/dbraw/zinc/40/87/91/943408791.db2.gz XREKIWANELTSJW-FQEVSTJZSA-N 2 0 370.518 3.664 20 0 FHADRP COc1ccc([C@H](C)C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436950 943416376 /nfs/dbraw/zinc/41/63/76/943416376.db2.gz HOORTFXOGVJAAJ-VQIMIIECSA-N 2 0 371.550 3.900 20 0 FHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423163130 943421701 /nfs/dbraw/zinc/42/17/01/943421701.db2.gz QUOXSRYUIVQQDC-CFFRYYMNSA-N 2 0 364.489 3.787 20 0 FHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423178862 943428995 /nfs/dbraw/zinc/42/89/95/943428995.db2.gz IVKSYSDZACXGAV-GCBQAYLCSA-N 2 0 364.489 3.644 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423211964 943433652 /nfs/dbraw/zinc/43/36/52/943433652.db2.gz LIUUBXICVWBSQO-WQGACYEGSA-N 2 0 355.345 3.821 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423263433 943455452 /nfs/dbraw/zinc/45/54/52/943455452.db2.gz XGLCFLMMWIICGM-BBRMVZONSA-N 2 0 353.304 3.642 20 0 FHADRP Clc1ccccc1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243065 943456731 /nfs/dbraw/zinc/45/67/31/943456731.db2.gz GDHVOBNKJUVIGP-VFNWGFHPSA-N 2 0 372.896 3.790 20 0 FHADRP CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414727420 943457222 /nfs/dbraw/zinc/45/72/22/943457222.db2.gz BCMZHDJBPSMHFG-CABCVRRESA-N 2 0 371.447 3.742 20 0 FHADRP COCCC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000423251351 943459547 /nfs/dbraw/zinc/45/95/47/943459547.db2.gz RVCYCDOFKJESMM-PBHICJAKSA-N 2 0 355.320 3.506 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423256637 943460564 /nfs/dbraw/zinc/46/05/64/943460564.db2.gz FMSVWJZAIXVVHT-XXBNENTESA-N 2 0 368.521 3.967 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423254129 943460951 /nfs/dbraw/zinc/46/09/51/943460951.db2.gz XFFKIBDSENBBFK-YOEHRIQHSA-N 2 0 357.523 3.785 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c2ccccc21 ZINC000423293372 943466087 /nfs/dbraw/zinc/46/60/87/943466087.db2.gz RDEPKSOLDNVWOO-IPHXSNPTSA-N 2 0 352.478 3.978 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423267435 943466713 /nfs/dbraw/zinc/46/67/13/943466713.db2.gz DZNNWPVEQAHZHR-KSSFIOAISA-N 2 0 351.332 3.750 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423293906 943475384 /nfs/dbraw/zinc/47/53/84/943475384.db2.gz SMCQBKWONVNEKL-MOPGFXCFSA-N 3 0 351.538 3.892 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423328343 943481418 /nfs/dbraw/zinc/48/14/18/943481418.db2.gz MAGDBGMPFWDZDG-PKTZIBPZSA-N 2 0 368.521 3.967 20 0 FHADRP CC1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423330861 943482128 /nfs/dbraw/zinc/48/21/28/943482128.db2.gz NWFAZOHMQBIOQK-CQSZACIVSA-N 2 0 355.345 3.965 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cc1 ZINC000423338093 943484153 /nfs/dbraw/zinc/48/41/53/943484153.db2.gz ASGDSVVTNGOUKG-ZDUSSCGKSA-N 2 0 361.873 3.552 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423371174 943485475 /nfs/dbraw/zinc/48/54/75/943485475.db2.gz USOLPNCFDUKVDU-IEBWSBKVSA-N 2 0 364.493 3.706 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1Br ZINC000423365277 943492344 /nfs/dbraw/zinc/49/23/44/943492344.db2.gz AZTMHPGUQJHYRF-GFCCVEGCSA-N 2 0 361.283 3.912 20 0 FHADRP C[C@@H]1C[C@H]([NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)CC[NH2+]1 ZINC000423383871 943497592 /nfs/dbraw/zinc/49/75/92/943497592.db2.gz PSSXQRHSVCSOCJ-LRQBHLAOSA-N 2 0 355.345 3.962 20 0 FHADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423387796 943498311 /nfs/dbraw/zinc/49/83/11/943498311.db2.gz KATQLLJFNDLPSP-INIZCTEOSA-N 2 0 355.320 3.506 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000423390219 943499339 /nfs/dbraw/zinc/49/93/39/943499339.db2.gz JWGQOODHAOCYLV-JQFCIGGWSA-N 2 0 355.320 3.504 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC[NH2+]CC1 ZINC000423406272 943508654 /nfs/dbraw/zinc/50/86/54/943508654.db2.gz KIUORZZIPBQRCW-CYBMUJFWSA-N 2 0 365.568 3.847 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423407070 943508741 /nfs/dbraw/zinc/50/87/41/943508741.db2.gz VGPMMVORGDRONO-AZLWOZFGSA-N 2 0 355.345 3.820 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423411506 943510358 /nfs/dbraw/zinc/51/03/58/943510358.db2.gz URTXLSGPLWEPRU-HKUYNNGSSA-N 2 0 350.934 3.972 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2cccc(OC)c2)c2ccccc2)CC[NH2+]CC1 ZINC000423411238 943510366 /nfs/dbraw/zinc/51/03/66/943510366.db2.gz UCHOPTODGJNEDJ-QFIPXVFZSA-N 2 0 368.521 3.585 20 0 FHADRP COCC1(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)CC[NH2+]CC1 ZINC000423412774 943510480 /nfs/dbraw/zinc/51/04/80/943510480.db2.gz XKWNUAYXCHOOCC-CJNGLKHVSA-N 2 0 367.331 3.603 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317981 943512374 /nfs/dbraw/zinc/51/23/74/943512374.db2.gz XTHAIOVCUCXQNZ-TYCQWZJGSA-N 2 0 370.562 3.987 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423444137 943513036 /nfs/dbraw/zinc/51/30/36/943513036.db2.gz QWLYYDGLBLDSGE-RRQGHBQHSA-N 2 0 353.279 3.553 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423449659 943514320 /nfs/dbraw/zinc/51/43/20/943514320.db2.gz GOBHHGLRSWUDKI-QWRGUYRKSA-N 2 0 365.827 3.793 20 0 FHADRP CC[N@H+](Cc1cc(Br)cc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435616890 943517022 /nfs/dbraw/zinc/51/70/22/943517022.db2.gz MFKRPMDDGKAVRQ-QGZVFWFLSA-N 2 0 362.315 3.961 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423457968 943521438 /nfs/dbraw/zinc/52/14/38/943521438.db2.gz JGRVVMGAQKQGNB-OCNOMXPGSA-N 2 0 353.279 3.681 20 0 FHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473191 943525539 /nfs/dbraw/zinc/52/55/39/943525539.db2.gz NUEODORAYKPYRJ-XAUMDUMWSA-N 2 0 372.459 3.944 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423453150 943528940 /nfs/dbraw/zinc/52/89/40/943528940.db2.gz AECXWCOVWTXEET-XYJFISCASA-N 2 0 364.555 3.571 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501022 943530468 /nfs/dbraw/zinc/53/04/68/943530468.db2.gz KUVJJFHMPLIHLC-HNAYVOBHSA-N 2 0 355.482 3.784 20 0 FHADRP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423504160 943530902 /nfs/dbraw/zinc/53/09/02/943530902.db2.gz GKQHXKNGWGJCCC-LEOMRAHMSA-N 2 0 368.352 3.787 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000423483090 943532841 /nfs/dbraw/zinc/53/28/41/943532841.db2.gz YEWJSIVRXCZPLV-XRYRHKQGSA-N 2 0 360.517 3.704 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000423483091 943533122 /nfs/dbraw/zinc/53/31/22/943533122.db2.gz YEWJSIVRXCZPLV-ZQONDGBOSA-N 2 0 360.517 3.704 20 0 FHADRP CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496111 943537651 /nfs/dbraw/zinc/53/76/51/943537651.db2.gz DFUOXKXZQMKPIC-VGSWGCGISA-N 2 0 355.526 3.540 20 0 FHADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528091 943538467 /nfs/dbraw/zinc/53/84/67/943538467.db2.gz NTIGJSKKULCUGS-TVVVCHRXSA-N 2 0 360.517 3.517 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423517231 943543218 /nfs/dbraw/zinc/54/32/18/943543218.db2.gz BHXSBKOVBULHIE-VBVZNHOFSA-N 2 0 372.553 3.686 20 0 FHADRP COc1cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc(OC)c1OC ZINC000423516546 943543416 /nfs/dbraw/zinc/54/34/16/943543416.db2.gz YAQWYOSJJYDESE-QAPCUYQASA-N 2 0 358.482 3.843 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000423524286 943546354 /nfs/dbraw/zinc/54/63/54/943546354.db2.gz JDMUVDNRIOAVAM-LJQANCHMSA-N 2 0 367.537 3.648 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCCO2 ZINC000423538438 943550887 /nfs/dbraw/zinc/55/08/87/943550887.db2.gz GJDBBTIVWLBFGD-TZDHZFECSA-N 2 0 365.315 3.641 20 0 FHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423537711 943550947 /nfs/dbraw/zinc/55/09/47/943550947.db2.gz KRSNYZQKFMKONN-QFBILLFUSA-N 2 0 362.489 3.734 20 0 FHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)c1 ZINC000423545833 943553250 /nfs/dbraw/zinc/55/32/50/943553250.db2.gz PLLJGLCMOFPGFQ-QXUYBEEESA-N 2 0 350.506 3.957 20 0 FHADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423548765 943554127 /nfs/dbraw/zinc/55/41/27/943554127.db2.gz DWUIVSBUVCEULB-OAQYLSRUSA-N 2 0 355.501 3.860 20 0 FHADRP FC(F)(F)COCCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435691242 943559266 /nfs/dbraw/zinc/55/92/66/943559266.db2.gz FVMPBIJHZMZRMD-HNNXBMFYSA-N 2 0 362.461 3.661 20 0 FHADRP NC1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000423577994 943561550 /nfs/dbraw/zinc/56/15/50/943561550.db2.gz TYJCISDRZRUSRG-DHIUTWEWSA-N 2 0 363.549 3.906 20 0 FHADRP C[C@@H]1C[C@H](C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414752540 943569805 /nfs/dbraw/zinc/56/98/05/943569805.db2.gz LACRSVYPKMEUGL-HUUCEWRRSA-N 2 0 367.331 3.680 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000423986426 943674093 /nfs/dbraw/zinc/67/40/93/943674093.db2.gz XZVMQNIZXVUSTA-NHCUHLMSSA-N 2 0 357.542 3.523 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773976 943729518 /nfs/dbraw/zinc/72/95/18/943729518.db2.gz FAOCPYWZMOYLMY-HZPDHXFCSA-N 2 0 352.906 3.569 20 0 FHADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000584839580 943737906 /nfs/dbraw/zinc/73/79/06/943737906.db2.gz RCWBKOCHDGVUAY-JYJNAYRXSA-N 2 0 372.431 3.586 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257427 943795644 /nfs/dbraw/zinc/79/56/44/943795644.db2.gz SUAIWSNOQDUFOW-RZQQEMMASA-N 2 0 373.566 3.732 20 0 FHADRP c1nc(-c2ccccc2)sc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000515358022 943822832 /nfs/dbraw/zinc/82/28/32/943822832.db2.gz KWDIYQSTKHKFRP-UHFFFAOYSA-N 2 0 371.550 3.744 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424301120 943828101 /nfs/dbraw/zinc/82/81/01/943828101.db2.gz XBPMYXCXSZDRBJ-ZDUSSCGKSA-N 2 0 370.324 3.786 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000424274422 943830240 /nfs/dbraw/zinc/83/02/40/943830240.db2.gz YWDZLLXUMGFJKF-IRDVNMAFSA-N 2 0 358.526 3.596 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781176 943830518 /nfs/dbraw/zinc/83/05/18/943830518.db2.gz MQRZVGJNUFLWHM-HOTGVXAUSA-N 2 0 354.441 3.508 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1cncc(OCc3ccccc3)c1)CC[NH2+]CC2 ZINC000424284680 943836609 /nfs/dbraw/zinc/83/66/09/943836609.db2.gz DNVUDXHXCUXLNQ-SFHVURJKSA-N 2 0 351.494 3.625 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417705790 943841281 /nfs/dbraw/zinc/84/12/81/943841281.db2.gz NYHBWLOHJXSLCR-NLWGTHIKSA-N 2 0 374.573 3.522 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424375881 943887241 /nfs/dbraw/zinc/88/72/41/943887241.db2.gz KJYPALSRFYFOAV-AWEZNQCLSA-N 2 0 352.906 3.711 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424381773 943889658 /nfs/dbraw/zinc/88/96/58/943889658.db2.gz RDXRBBJKYMLBHD-SNVBAGLBSA-N 2 0 366.674 3.552 20 0 FHADRP CCOc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Cl)c1OC ZINC000424385723 943892400 /nfs/dbraw/zinc/89/24/00/943892400.db2.gz WLYNLRKHEVFVFW-AWEZNQCLSA-N 2 0 352.906 3.711 20 0 FHADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786074 943904930 /nfs/dbraw/zinc/90/49/30/943904930.db2.gz WOZUOKNLPGYSOU-ZDUSSCGKSA-N 2 0 363.299 3.711 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424436102 943913357 /nfs/dbraw/zinc/91/33/57/943913357.db2.gz JGGYSAOZLXPBRO-UHFFFAOYSA-N 2 0 374.554 3.891 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)Cc1ccccc1 ZINC000424443556 943917360 /nfs/dbraw/zinc/91/73/60/943917360.db2.gz KRDQXRSMYUPOLC-NRFANRHFSA-N 2 0 368.525 3.528 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424429700 943924031 /nfs/dbraw/zinc/92/40/31/943924031.db2.gz XQACGUWYCNYVLB-UHFFFAOYSA-N 2 0 360.546 3.820 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000424436715 943928999 /nfs/dbraw/zinc/92/89/99/943928999.db2.gz MTFUQBSIYUWSNQ-OAQYLSRUSA-N 2 0 366.509 3.582 20 0 FHADRP [NH3+]C[C@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414790441 943938701 /nfs/dbraw/zinc/93/87/01/943938701.db2.gz ZVCSDUJCYOUDSX-AWEZNQCLSA-N 2 0 362.823 3.546 20 0 FHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414796693 943970268 /nfs/dbraw/zinc/97/02/68/943970268.db2.gz YDBSXKIWQGEQFZ-UHFFFAOYSA-N 2 0 360.505 3.748 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000515521915 943976037 /nfs/dbraw/zinc/97/60/37/943976037.db2.gz XOAWWBXUKOZDQE-QRVBRYPASA-N 2 0 373.585 3.947 20 0 FHADRP C[C@H](O)c1ncc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000290363268 943976983 /nfs/dbraw/zinc/97/69/83/943976983.db2.gz AAUPIBMQZORYBB-WMZOPIPTSA-N 2 0 359.539 3.588 20 0 FHADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511643755 943980145 /nfs/dbraw/zinc/98/01/45/943980145.db2.gz FDRMCFTZBMMMEV-CEXWTWQISA-N 2 0 357.542 3.915 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000517097609 943997392 /nfs/dbraw/zinc/99/73/92/943997392.db2.gz QTMVEZAGZJJKFO-NRFANRHFSA-N 2 0 359.558 3.648 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500059459 944031489 /nfs/dbraw/zinc/03/14/89/944031489.db2.gz MASHWEUOSHPDKV-JTHBVZDNSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414812057 944103306 /nfs/dbraw/zinc/10/33/06/944103306.db2.gz QRXZIJXDUXSIRP-GOSISDBHSA-N 3 0 366.553 3.527 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC000414812278 944104771 /nfs/dbraw/zinc/10/47/71/944104771.db2.gz QYZDGEUDSFYWPQ-KRWDZBQOSA-N 2 0 355.501 3.642 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000414818253 944139846 /nfs/dbraw/zinc/13/98/46/944139846.db2.gz VCMCSGSRLFOWMS-JKSUJKDBSA-N 2 0 373.928 3.887 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)(N2CCCCC2)CC1 ZINC000436236742 944140489 /nfs/dbraw/zinc/14/04/89/944140489.db2.gz FAKMUNXDGKBTIG-VXKWHMMOSA-N 2 0 355.570 3.863 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436286028 944165025 /nfs/dbraw/zinc/16/50/25/944165025.db2.gz QKYIARMJQGRTMG-FCEUIQTBSA-N 2 0 365.606 3.510 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1C ZINC000436296660 944181011 /nfs/dbraw/zinc/18/10/11/944181011.db2.gz SGHABJGARPSJSR-QGZVKYPTSA-N 2 0 350.547 3.741 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756127 944184784 /nfs/dbraw/zinc/18/47/84/944184784.db2.gz MAWQUWWFECRADR-WOJBJXKFSA-N 2 0 371.569 3.798 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756124 944184864 /nfs/dbraw/zinc/18/48/64/944184864.db2.gz MAWQUWWFECRADR-PMACEKPBSA-N 2 0 371.569 3.798 20 0 FHADRP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000515757581 944185513 /nfs/dbraw/zinc/18/55/13/944185513.db2.gz IMCROWZBDPVRMG-FHWLQOOXSA-N 2 0 373.585 3.947 20 0 FHADRP CSc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000436312971 944191976 /nfs/dbraw/zinc/19/19/76/944191976.db2.gz KYPKJOJPKBIYHC-LAUBAEHRSA-N 2 0 355.551 3.846 20 0 FHADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414974570 944252646 /nfs/dbraw/zinc/25/26/46/944252646.db2.gz NRWLGNZGOFMNEW-ROUUACIJSA-N 2 0 352.906 3.520 20 0 FHADRP CN1CC[NH+](CC2(C)CC[NH+](CCCCCOc3ccccc3)CC2)CC1 ZINC000437973263 944260505 /nfs/dbraw/zinc/26/05/05/944260505.db2.gz TVPSRYVFYFJDDA-UHFFFAOYSA-N 2 0 373.585 3.585 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000425954131 944377710 /nfs/dbraw/zinc/37/77/10/944377710.db2.gz YMGFIWQUMNLRGN-RPCJCACASA-N 2 0 358.526 3.882 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC3)cc1 ZINC000425955000 944391425 /nfs/dbraw/zinc/39/14/25/944391425.db2.gz XWYNCCONUUFXGB-PBHICJAKSA-N 2 0 359.539 3.983 20 0 FHADRP CC(C)N(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001167977892 944432901 /nfs/dbraw/zinc/43/29/01/944432901.db2.gz IGFAKILGUDHCTK-YQQQUEKLSA-N 2 0 365.562 3.627 20 0 FHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000311255393 944458648 /nfs/dbraw/zinc/45/86/48/944458648.db2.gz DAZVIOSFUCFKHJ-OTWHNJEPSA-N 2 0 367.578 3.876 20 0 FHADRP CC[C@H]([NH3+])CN[C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414994242 944521878 /nfs/dbraw/zinc/52/18/78/944521878.db2.gz UPAHVLWLGQELQC-WBMJQRKESA-N 2 0 351.288 3.697 20 0 FHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000608061895 944546574 /nfs/dbraw/zinc/54/65/74/944546574.db2.gz CVNCYZLDJDQAPP-UHFFFAOYSA-N 2 0 353.510 3.872 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414997502 944583807 /nfs/dbraw/zinc/58/38/07/944583807.db2.gz HKCIWKLMOOORFJ-HIFRSBDPSA-N 2 0 360.420 3.634 20 0 FHADRP C[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)Oc1ccc(Cl)cc1 ZINC000608069137 944602300 /nfs/dbraw/zinc/60/23/00/944602300.db2.gz WSOMIHGVXJYREP-MRXNPFEDSA-N 2 0 362.901 3.838 20 0 FHADRP CC[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3CCCO[C@@H](CC)C3)cc2)CCCO1 ZINC000439469975 944647693 /nfs/dbraw/zinc/64/76/93/944647693.db2.gz BMUVVQLQSACWLK-SZPZYZBQSA-N 2 0 360.542 3.688 20 0 FHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000311319786 944649502 /nfs/dbraw/zinc/64/95/02/944649502.db2.gz JLCYHFNUPACRMI-OALUTQOASA-N 2 0 367.578 3.922 20 0 FHADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)C(C)(C)C)CC1 ZINC000469446871 944666235 /nfs/dbraw/zinc/66/62/35/944666235.db2.gz UOHCFFZWCYAGKE-SFHVURJKSA-N 2 0 359.558 3.524 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000500376928 944681943 /nfs/dbraw/zinc/68/19/43/944681943.db2.gz MVGYBTOCYIDCIA-SSZFMOIBSA-N 2 0 369.475 3.724 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000414999470 944685945 /nfs/dbraw/zinc/68/59/45/944685945.db2.gz JCFWCLVFFJRUSN-GJZGRUSLSA-N 2 0 353.913 3.551 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506881238 944699224 /nfs/dbraw/zinc/69/92/24/944699224.db2.gz NGWQEXKLWISPBP-UHFFFAOYSA-N 2 0 374.960 3.975 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506885687 944703823 /nfs/dbraw/zinc/70/38/23/944703823.db2.gz RQSXWCKGTUXLBC-UHFFFAOYSA-N 2 0 354.542 3.630 20 0 FHADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000162740250 944704173 /nfs/dbraw/zinc/70/41/73/944704173.db2.gz PJIZJSWWNGYCOI-GOSISDBHSA-N 2 0 367.493 3.816 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)CCC(F)(F)F ZINC000426058590 944765181 /nfs/dbraw/zinc/76/51/81/944765181.db2.gz MFEILWMIQVWJDV-WMZOPIPTSA-N 2 0 363.512 3.893 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572761 944789518 /nfs/dbraw/zinc/78/95/18/944789518.db2.gz GKYGZVWRVWOCHG-MOPGFXCFSA-N 2 0 363.571 3.654 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)CCC(F)(F)F ZINC000426066452 944802430 /nfs/dbraw/zinc/80/24/30/944802430.db2.gz JXVVBMSDFDSUBU-WMZOPIPTSA-N 2 0 363.512 3.893 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[NH+](C4CCC4)CC3)c2cc1OCC ZINC000500416686 944843128 /nfs/dbraw/zinc/84/31/28/944843128.db2.gz XBYVVFMUBNYHHZ-UHFFFAOYSA-N 2 0 355.482 3.707 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698206 944913038 /nfs/dbraw/zinc/91/30/38/944913038.db2.gz YDMKWDPKSKAZFQ-QZTJIDSGSA-N 2 0 357.542 3.521 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cc2)c1 ZINC000414941459 944916737 /nfs/dbraw/zinc/91/67/37/944916737.db2.gz CQOXIQIPUGFNNE-DOTOQJQBSA-N 2 0 356.466 3.726 20 0 FHADRP CC1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC[NH2+]CC1 ZINC000414896704 944960469 /nfs/dbraw/zinc/96/04/69/944960469.db2.gz COBIRCSMZBWJMF-UHFFFAOYSA-N 2 0 363.246 3.530 20 0 FHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414947244 944991075 /nfs/dbraw/zinc/99/10/75/944991075.db2.gz VXBURNPUXZXITI-ZANVPECISA-N 2 0 351.210 3.556 20 0 FHADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000415004908 944993518 /nfs/dbraw/zinc/99/35/18/944993518.db2.gz AIPZWEUJFGXVLX-UPJWGTAASA-N 2 0 351.288 3.695 20 0 FHADRP CC1([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414949037 945005874 /nfs/dbraw/zinc/00/58/74/945005874.db2.gz ZKVQRAORLMYWQL-ZDUSSCGKSA-N 2 0 370.337 3.790 20 0 FHADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000439844812 945023660 /nfs/dbraw/zinc/02/36/60/945023660.db2.gz WJPYWYGSOKGQJB-CTNGQTDRSA-N 2 0 361.574 3.508 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000437106072 945027803 /nfs/dbraw/zinc/02/78/03/945027803.db2.gz FYSDLBPTDYHICM-MOPGFXCFSA-N 2 0 367.537 3.586 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1cccs1 ZINC000415010484 945402702 /nfs/dbraw/zinc/40/27/02/945402702.db2.gz UYFWKZIASPOCHN-DOTOQJQBSA-N 2 0 360.523 3.943 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@H](C)CCCC[NH3+])c1OC(F)F ZINC000415011364 945470377 /nfs/dbraw/zinc/47/03/77/945470377.db2.gz HPPDRCFOQFAJBS-LLVKDONJSA-N 2 0 365.262 3.966 20 0 FHADRP C[NH2+]CCC1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000262012749 945485237 /nfs/dbraw/zinc/48/52/37/945485237.db2.gz UVJUYVCYIWGZMT-UHFFFAOYSA-N 2 0 365.521 3.541 20 0 FHADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000281018795 945494987 /nfs/dbraw/zinc/49/49/87/945494987.db2.gz XKFSURXEFDLTQA-YESZJQIVSA-N 2 0 350.934 3.923 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@@H](C)CCC[NH3+])c1OC(F)F ZINC000415015935 945501825 /nfs/dbraw/zinc/50/18/25/945501825.db2.gz BOIZGDBDJBHXSS-JTQLQIEISA-N 2 0 351.235 3.576 20 0 FHADRP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CCOCC1 ZINC000187780870 945596704 /nfs/dbraw/zinc/59/67/04/945596704.db2.gz FKXOGQPQGMPGHZ-YYDVJCTNSA-N 2 0 374.569 3.696 20 0 FHADRP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC000629701413 945662714 /nfs/dbraw/zinc/66/27/14/945662714.db2.gz BTACQJXESZLGQU-PXNSSMCTSA-N 2 0 352.522 3.756 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@@H](C)C1 ZINC000544373828 945750162 /nfs/dbraw/zinc/75/01/62/945750162.db2.gz UCLCMSPHLHGMPA-SUMWQHHRSA-N 2 0 364.331 3.793 20 0 FHADRP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065967 945796324 /nfs/dbraw/zinc/79/63/24/945796324.db2.gz ZJERXXVHNZHNHH-JIYJMNMHSA-N 2 0 368.443 3.832 20 0 FHADRP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000444090328 945839917 /nfs/dbraw/zinc/83/99/17/945839917.db2.gz RHFOGMSVDXAWIB-SXFAUFNYSA-N 2 0 371.569 3.759 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1)N1CC[NH+](C)CC1 ZINC000237408344 945924129 /nfs/dbraw/zinc/92/41/29/945924129.db2.gz VVDNFUMHMQPKGQ-SFHVURJKSA-N 2 0 369.553 3.970 20 0 FHADRP Cc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000301824421 945987416 /nfs/dbraw/zinc/98/74/16/945987416.db2.gz NTTWGUDYKIDHSC-SFHVURJKSA-N 2 0 357.473 3.764 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000549544111 946014463 /nfs/dbraw/zinc/01/44/63/946014463.db2.gz ZXBPRHHYJHFILS-OAQYLSRUSA-N 2 0 350.522 3.563 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000662824858 946074961 /nfs/dbraw/zinc/07/49/61/946074961.db2.gz DLSJMOWYPKACCB-QUCCMNQESA-N 2 0 351.579 3.501 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000045545635 946078135 /nfs/dbraw/zinc/07/81/35/946078135.db2.gz RXPKMTOAJUUDFD-UHFFFAOYSA-N 2 0 374.573 3.637 20 0 FHADRP Cc1nc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[nH]c1C ZINC000896913866 946125059 /nfs/dbraw/zinc/12/50/59/946125059.db2.gz MLFDUJDYTXXERN-UHFFFAOYSA-N 2 0 362.477 3.589 20 0 FHADRP Cc1ccc2[nH+]ccc(N3CCC(CCC[NH+]4CCOCC4)CC3)c2c1 ZINC000302214301 946178038 /nfs/dbraw/zinc/17/80/38/946178038.db2.gz IHWRNWCIQSNXGX-UHFFFAOYSA-N 2 0 353.510 3.872 20 0 FHADRP CN(C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000441145719 946271762 /nfs/dbraw/zinc/27/17/62/946271762.db2.gz IDTZTSXWROPWMX-HXUWFJFHSA-N 2 0 357.542 3.628 20 0 FHADRP COC(=O)C1(C)CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168055697 946300046 /nfs/dbraw/zinc/30/00/46/946300046.db2.gz XRMQMSLHJHTELW-QZTJIDSGSA-N 2 0 358.526 3.703 20 0 FHADRP C[C@H]1CC(N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067328 946356935 /nfs/dbraw/zinc/35/69/35/946356935.db2.gz TYYBJOURNCFNIU-ZZTDLJEGSA-N 2 0 373.560 3.936 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259914 946356917 /nfs/dbraw/zinc/35/69/17/946356917.db2.gz FEURSESXMYFVET-GIVPXCGWSA-N 2 0 360.542 3.546 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccccc1Oc1cccnc1 ZINC000441271550 946383208 /nfs/dbraw/zinc/38/32/08/946383208.db2.gz RBXZGZCEXGTODY-SYYKKAFVSA-N 2 0 367.493 3.557 20 0 FHADRP CC(C)[C@H](C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1)[NH+]1CCCCC1 ZINC000520355091 946442760 /nfs/dbraw/zinc/44/27/60/946442760.db2.gz DNRLPQHSHAYWQY-OAQYLSRUSA-N 2 0 359.558 3.654 20 0 FHADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000441356711 946475440 /nfs/dbraw/zinc/47/54/40/946475440.db2.gz QISMWLOAQFBZPR-JOCHJYFZSA-N 2 0 373.585 3.627 20 0 FHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000441376515 946530375 /nfs/dbraw/zinc/53/03/75/946530375.db2.gz ATGBIGVBXKAQSZ-UHFFFAOYSA-N 2 0 359.489 3.510 20 0 FHADRP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423028542 946565733 /nfs/dbraw/zinc/56/57/33/946565733.db2.gz GQNVHCDYTWPBTC-RZUBCFFCSA-N 2 0 371.569 3.538 20 0 FHADRP CCN(C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000647971269 946613358 /nfs/dbraw/zinc/61/33/58/946613358.db2.gz GZZAGCLAZDVPHP-HXUWFJFHSA-N 2 0 365.521 3.514 20 0 FHADRP COC1CCC(C)(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000475208670 946725221 /nfs/dbraw/zinc/72/52/21/946725221.db2.gz DWNZTAAWOQHUBG-UHFFFAOYSA-N 2 0 373.585 3.902 20 0 FHADRP CC[NH+]1CCC(CC2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)CC1 ZINC001137751382 946737270 /nfs/dbraw/zinc/73/72/70/946737270.db2.gz BPLNYPMLTPSTBY-UHFFFAOYSA-N 2 0 352.954 3.716 20 0 FHADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000475291517 946829950 /nfs/dbraw/zinc/82/99/50/946829950.db2.gz PJIUPMGQCFRRJM-QGZVFWFLSA-N 2 0 352.507 3.750 20 0 FHADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1F ZINC000048565358 946841088 /nfs/dbraw/zinc/84/10/88/946841088.db2.gz PNFVPXPWIIBWRG-UHFFFAOYSA-N 2 0 361.505 3.742 20 0 FHADRP c1ccc2c(c1)CC1(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC1)O2 ZINC001167994945 946890628 /nfs/dbraw/zinc/89/06/28/946890628.db2.gz QYZFDMCDWMILMM-WCRBZPEASA-N 2 0 352.522 3.862 20 0 FHADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995003 946892816 /nfs/dbraw/zinc/89/28/16/946892816.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 2 0 367.581 3.846 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1CC[NH3+] ZINC000652353722 946903894 /nfs/dbraw/zinc/90/38/94/946903894.db2.gz AQDAMXXMPVGQIR-UWJYYQICSA-N 2 0 351.494 3.888 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000432251166 946961404 /nfs/dbraw/zinc/96/14/04/946961404.db2.gz RCFSCQPKKDVSLR-UHFFFAOYSA-N 2 0 373.585 3.902 20 0 FHADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)cc1 ZINC000647978465 946970936 /nfs/dbraw/zinc/97/09/36/946970936.db2.gz SNUZOSSGGDTAAC-FGZHOGPDSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccccc1O[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995622 946971645 /nfs/dbraw/zinc/97/16/45/946971645.db2.gz LOIRBNKFFXSSHA-JKWVGCSGSA-N 2 0 370.537 3.944 20 0 FHADRP c1ccc(C[NH+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]32)cc1 ZINC001167995716 946981401 /nfs/dbraw/zinc/98/14/01/946981401.db2.gz OVIQROCRLWDLGX-HJQSFINYSA-N 2 0 365.565 3.598 20 0 FHADRP C[C@@H]1C[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062696 946996571 /nfs/dbraw/zinc/99/65/71/946996571.db2.gz LQVQSFNSGRUDEE-YHELAOLJSA-N 2 0 352.526 3.964 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444669984 947094589 /nfs/dbraw/zinc/09/45/89/947094589.db2.gz HRAPHVAVLGHTMS-NQIIRXRSSA-N 2 0 369.578 3.873 20 0 FHADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000192918777 947105022 /nfs/dbraw/zinc/10/50/22/947105022.db2.gz LPYODSNUQXVFNY-DENIHFKCSA-N 2 0 350.506 3.664 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192923559 947105862 /nfs/dbraw/zinc/10/58/62/947105862.db2.gz YJDBHSLVYXDJRG-WIYYLYMNSA-N 2 0 368.521 3.747 20 0 FHADRP CC(C)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766024 947201836 /nfs/dbraw/zinc/20/18/36/947201836.db2.gz GGGCAUBDNDMZHU-TZIWHRDSSA-N 2 0 371.569 3.524 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CCCC4)C3)c2cc1OCC ZINC000301262312 947256622 /nfs/dbraw/zinc/25/66/22/947256622.db2.gz VLIIPZDOVDWVAZ-INIZCTEOSA-N 2 0 355.482 3.707 20 0 FHADRP COc1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000248876679 947300724 /nfs/dbraw/zinc/30/07/24/947300724.db2.gz MTQGQJYZCVIYQN-GUYCJALGSA-N 2 0 350.890 3.503 20 0 FHADRP C(CSc1nnc(SCCC[NH+]2CCCC2)s1)C[NH+]1CCCC1 ZINC000188207251 947437738 /nfs/dbraw/zinc/43/77/38/947437738.db2.gz MRFWYOJTGGYVRR-UHFFFAOYSA-N 2 0 372.629 3.694 20 0 FHADRP Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000128132169 947650707 /nfs/dbraw/zinc/65/07/07/947650707.db2.gz NLVHOHDTOVCRSJ-UHFFFAOYSA-N 2 0 357.473 3.764 20 0 FHADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251896 947673777 /nfs/dbraw/zinc/67/37/77/947673777.db2.gz IGNJHRAEPKLJIF-UHFFFAOYSA-N 2 0 360.505 3.787 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290858 947712095 /nfs/dbraw/zinc/71/20/95/947712095.db2.gz MDKPREJSBDZOFP-DOTOQJQBSA-N 2 0 363.933 3.687 20 0 FHADRP O=C(c1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000662292814 947714770 /nfs/dbraw/zinc/71/47/70/947714770.db2.gz OXDFSOMFNHXYQD-JOCHJYFZSA-N 2 0 369.553 3.524 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291621 947715302 /nfs/dbraw/zinc/71/53/02/947715302.db2.gz VUUGMKJJWXLDMW-PKOBYXMFSA-N 2 0 357.542 3.849 20 0 FHADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294184 947716758 /nfs/dbraw/zinc/71/67/58/947716758.db2.gz BTQAESLFSBRGEH-KRWDZBQOSA-N 2 0 374.916 3.644 20 0 FHADRP Cc1sc2nc([C@@H](C)N3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298422 947720700 /nfs/dbraw/zinc/72/07/00/947720700.db2.gz WCANKADRPKGCQT-CZUORRHYSA-N 2 0 374.554 3.786 20 0 FHADRP C[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662313247 947738792 /nfs/dbraw/zinc/73/87/92/947738792.db2.gz HVBHRCQEHJHSNZ-GPMSIDNRSA-N 2 0 365.587 3.791 20 0 FHADRP Fc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1F ZINC000662327182 947751699 /nfs/dbraw/zinc/75/16/99/947751699.db2.gz FJHKKXDHHIGPHU-UHFFFAOYSA-N 2 0 360.452 3.535 20 0 FHADRP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)s1 ZINC000662327759 947758263 /nfs/dbraw/zinc/75/82/63/947758263.db2.gz UUVVTEWCULDVAB-UHFFFAOYSA-N 2 0 364.946 3.971 20 0 FHADRP Clc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662326965 947758646 /nfs/dbraw/zinc/75/86/46/947758646.db2.gz BPTZODAGHXOMCM-UHFFFAOYSA-N 2 0 358.917 3.910 20 0 FHADRP Cc1ccc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327532 947760308 /nfs/dbraw/zinc/76/03/08/947760308.db2.gz QZCXONSXNMOYSK-UHFFFAOYSA-N 2 0 352.526 3.607 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662386932 947777591 /nfs/dbraw/zinc/77/75/91/947777591.db2.gz PUAWIUFMBGULQK-DBXWQHBBSA-N 2 0 371.569 3.553 20 0 FHADRP Cc1nn(-c2ccc(C)cc2)cc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344102 947807285 /nfs/dbraw/zinc/80/72/85/947807285.db2.gz OFHKEIREXISMLC-FQEVSTJZSA-N 2 0 352.526 3.701 20 0 FHADRP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000663344380 947811692 /nfs/dbraw/zinc/81/16/92/947811692.db2.gz SJQDFAWGJBZOLD-LJQANCHMSA-N 2 0 352.526 3.607 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662495406 947865058 /nfs/dbraw/zinc/86/50/58/947865058.db2.gz RKOACDVHGPCMDO-UHFFFAOYSA-N 2 0 365.521 3.842 20 0 FHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000165288339 947874901 /nfs/dbraw/zinc/87/49/01/947874901.db2.gz CNIGUUSBWVFFAW-WIYYLYMNSA-N 2 0 365.521 3.860 20 0 FHADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525962 947888110 /nfs/dbraw/zinc/88/81/10/947888110.db2.gz NEQOCAYSSIFHFC-FGZHOGPDSA-N 2 0 363.505 3.564 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662526931 947895809 /nfs/dbraw/zinc/89/58/09/947895809.db2.gz NKDXBQRTCOLNNL-OVQGTLEDSA-N 2 0 369.553 3.543 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCCC1 ZINC000662694449 947984371 /nfs/dbraw/zinc/98/43/71/947984371.db2.gz WPJSCAOEGPOUNH-UHFFFAOYSA-N 2 0 369.553 3.729 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000549612264 948013654 /nfs/dbraw/zinc/01/36/54/948013654.db2.gz ULDPOHQBJCOVGA-DUXKGJEZSA-N 2 0 358.526 3.878 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663463657 948049818 /nfs/dbraw/zinc/04/98/18/948049818.db2.gz ASZFHNBNVBCFEL-ZIFCJYIRSA-N 2 0 360.542 3.907 20 0 FHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469863 948063803 /nfs/dbraw/zinc/06/38/03/948063803.db2.gz RGKCXVAMOGKZIR-FXAWDEMLSA-N 2 0 352.526 3.953 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470141 948064502 /nfs/dbraw/zinc/06/45/02/948064502.db2.gz SLPOPXNNOJIETD-AEFFLSMTSA-N 2 0 370.541 3.743 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)CC(=O)N(C)c1ccccc12 ZINC001167823467 948099615 /nfs/dbraw/zinc/09/96/15/948099615.db2.gz CRHAFMWDTUSFQF-LJQANCHMSA-N 2 0 371.569 3.897 20 0 FHADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000663500103 948118725 /nfs/dbraw/zinc/11/87/25/948118725.db2.gz OHVKBXYDKMPJRU-GFCCVEGCSA-N 2 0 351.235 3.514 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC001167827839 948159711 /nfs/dbraw/zinc/15/97/11/948159711.db2.gz YFNIPVCSORRBIG-IBGZPJMESA-N 2 0 354.542 3.867 20 0 FHADRP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144067 948214610 /nfs/dbraw/zinc/21/46/10/948214610.db2.gz AXELSSGYJDIYMK-MOPGFXCFSA-N 2 0 362.477 3.567 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001167834139 948247858 /nfs/dbraw/zinc/24/78/58/948247858.db2.gz IADYBSPFXFHVFO-SFHVURJKSA-N 2 0 360.546 3.783 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000512045278 948299806 /nfs/dbraw/zinc/29/98/06/948299806.db2.gz LPIFIMFAMIZHAQ-PEOKUMBASA-N 2 0 352.469 3.705 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409733 948353053 /nfs/dbraw/zinc/35/30/53/948353053.db2.gz IMBZIFBKHKNWRW-HZPDHXFCSA-N 2 0 374.447 3.779 20 0 FHADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCCS2 ZINC000432419204 948375090 /nfs/dbraw/zinc/37/50/90/948375090.db2.gz ZWEPRAYLXHUVBH-VQIMIIECSA-N 2 0 364.555 3.713 20 0 FHADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000152374878 948425913 /nfs/dbraw/zinc/42/59/13/948425913.db2.gz UTMNUSLJTYVRIK-ZDUSSCGKSA-N 2 0 358.313 3.596 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152395188 948483438 /nfs/dbraw/zinc/48/34/38/948483438.db2.gz PTDTWPAVFLSYAY-DIFFPNOSSA-N 2 0 353.279 3.649 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000520655022 948508635 /nfs/dbraw/zinc/50/86/35/948508635.db2.gz YNJCUNIYXBPCQI-OALUTQOASA-N 2 0 374.573 3.591 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507806565 948694948 /nfs/dbraw/zinc/69/49/48/948694948.db2.gz CDQYKSZGIJZZLC-HXUWFJFHSA-N 2 0 360.448 3.725 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C[C@@H](C)O1 ZINC000110427344 209323710 /nfs/dbraw/zinc/32/37/10/209323710.db2.gz MGVSMJGBEFTEHU-IAGOWNOFSA-N 2 0 371.500 3.695 20 0 FHADRP c1ccc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)cc1 ZINC000097474496 209182982 /nfs/dbraw/zinc/18/29/82/209182982.db2.gz CYEDBPZDSXNGCF-UHFFFAOYSA-N 2 0 350.506 3.898 20 0 FHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4ccccc4Cl)o3)C2)CC1 ZINC000602277985 567962621 /nfs/dbraw/zinc/96/26/21/567962621.db2.gz OYPTVWAIILBYHN-INIZCTEOSA-N 2 0 373.928 3.858 20 0 FHADRP CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3cnc(C)nc3C)CC2)cs1 ZINC000161778803 567967330 /nfs/dbraw/zinc/96/73/30/567967330.db2.gz WLEVILHWEPCNAF-AWEZNQCLSA-N 2 0 373.570 3.675 20 0 FHADRP C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602672366 568008196 /nfs/dbraw/zinc/00/81/96/568008196.db2.gz XJKSICZFRAZLHO-WSNOQYBDSA-N 2 0 368.546 3.882 20 0 FHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000186981796 568035198 /nfs/dbraw/zinc/03/51/98/568035198.db2.gz DYZYPOJUFNYKTP-PMACEKPBSA-N 2 0 361.599 3.702 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CCC[C@H]([NH2+]C(C)C)C3)c2cc1OCC ZINC000603494165 568108011 /nfs/dbraw/zinc/10/80/11/568108011.db2.gz WOWUXOVGVFTKGB-INIZCTEOSA-N 2 0 357.498 3.999 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CCC[C@@H]([NH2+]C(C)C)C3)c2cc1OCC ZINC000603494166 568108019 /nfs/dbraw/zinc/10/80/19/568108019.db2.gz WOWUXOVGVFTKGB-MRXNPFEDSA-N 2 0 357.498 3.999 20 0 FHADRP CC(C)(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000563093038 568113718 /nfs/dbraw/zinc/11/37/18/568113718.db2.gz XKPKECWGMOWYBN-NRFANRHFSA-N 2 0 365.521 3.625 20 0 FHADRP CN1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1cccc(Cl)c1 ZINC000365226334 568338886 /nfs/dbraw/zinc/33/88/86/568338886.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 2 0 361.961 3.938 20 0 FHADRP C[N@H+](CCN1CC[NH+](CCSc2ccccc2)CC1)Cc1ccccc1 ZINC000605150645 568587687 /nfs/dbraw/zinc/58/76/87/568587687.db2.gz JSVRZIQPHLHAOS-UHFFFAOYSA-N 2 0 369.578 3.528 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820698326 607086876 /nfs/dbraw/zinc/08/68/76/607086876.db2.gz STYYCMOLWTZXMN-GUXCAODWSA-N 2 0 368.529 3.560 20 0 FHADRP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027681 721800726 /nfs/dbraw/zinc/80/07/26/721800726.db2.gz XGACAQNEJTUVTF-TYPHKJRUSA-N 2 0 350.510 3.830 20 0 FHADRP C[NH+](C)Cc1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995197 722210469 /nfs/dbraw/zinc/21/04/69/722210469.db2.gz HBTHSWUYRNCVCR-JOCHJYFZSA-N 2 0 368.500 3.527 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC000126035733 936341101 /nfs/dbraw/zinc/34/11/01/936341101.db2.gz ASQKUZWHYSQKQX-MRXNPFEDSA-N 2 0 369.484 3.898 20 0 FHADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161498253 936381214 /nfs/dbraw/zinc/38/12/14/936381214.db2.gz FEMHMXYAJSHPAW-UHFFFAOYSA-N 2 0 358.526 3.838 20 0 FHADRP C[C@H](CC[NH2+][C@H](C)c1ccccc1-n1ccnn1)[N@H+](C)Cc1ccccc1 ZINC000583075858 937097727 /nfs/dbraw/zinc/09/77/27/937097727.db2.gz DYHRBLDNZBUDPQ-RTBURBONSA-N 2 0 363.509 3.829 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654700242 927034980 /nfs/dbraw/zinc/03/49/80/927034980.db2.gz TZBNTCRDKKKYGO-UHFFFAOYSA-N 2 0 367.537 3.515 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000579700907 927133034 /nfs/dbraw/zinc/13/30/34/927133034.db2.gz QDTYJKWYPLVMCZ-JOCHJYFZSA-N 2 0 366.509 3.630 20 0 FHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579704440 927149111 /nfs/dbraw/zinc/14/91/11/927149111.db2.gz AZAGBFYHDPGEAE-TZIWHRDSSA-N 2 0 371.569 3.683 20 0 FHADRP NC1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000643544607 927381230 /nfs/dbraw/zinc/38/12/30/927381230.db2.gz GKGQLMACHWIQKW-NRFANRHFSA-N 2 0 371.475 3.535 20 0 FHADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776686 927388094 /nfs/dbraw/zinc/38/80/94/927388094.db2.gz ZNBASJDDOFADJS-YJBOKZPZSA-N 2 0 358.448 3.635 20 0 FHADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000150775609 937161279 /nfs/dbraw/zinc/16/12/79/937161279.db2.gz UPHMHOOYLCBDLZ-CQSZACIVSA-N 2 0 370.324 3.740 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546847 927442792 /nfs/dbraw/zinc/44/27/92/927442792.db2.gz VUXAOGCSERVCRR-QFBILLFUSA-N 2 0 358.530 3.886 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@H]1C(C)(C)C1(F)F)C1CC[NH+](C)CC1 ZINC000657737189 937186283 /nfs/dbraw/zinc/18/62/83/937186283.db2.gz IWLFPGOAYIQMBT-SFHVURJKSA-N 2 0 351.485 3.598 20 0 FHADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000119207095 928079982 /nfs/dbraw/zinc/07/99/82/928079982.db2.gz ZWDOJWNSZKNCLL-WIYYLYMNSA-N 2 0 359.558 3.542 20 0 FHADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150818311 937226696 /nfs/dbraw/zinc/22/66/96/937226696.db2.gz VAQNUGMDLMJXKU-SFHVURJKSA-N 2 0 351.494 3.586 20 0 FHADRP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000583290410 937322917 /nfs/dbraw/zinc/32/29/17/937322917.db2.gz VDZBRDVRPLAOCN-OAHLLOKOSA-N 2 0 367.331 3.621 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180109038 929376888 /nfs/dbraw/zinc/37/68/88/929376888.db2.gz JSUHUUXZNJZIHH-HSZRJFAPSA-N 2 0 351.538 3.702 20 0 FHADRP CCCC[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161129 929409421 /nfs/dbraw/zinc/40/94/21/929409421.db2.gz WDPKJTLROVEZPW-ACIOBRDBSA-N 2 0 355.570 3.751 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154897973 929472084 /nfs/dbraw/zinc/47/20/84/929472084.db2.gz KFSXUCYGPAQXDJ-DLBZAZTESA-N 2 0 372.582 3.713 20 0 FHADRP CN(C)CC[NH+]1CCC(C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180452229 929514188 /nfs/dbraw/zinc/51/41/88/929514188.db2.gz BURQRUFNJZNCQT-UHFFFAOYSA-N 2 0 351.538 3.639 20 0 FHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154955083 929553112 /nfs/dbraw/zinc/55/31/12/929553112.db2.gz LTIGXASTHFVQDC-RBUKOAKNSA-N 2 0 367.537 3.649 20 0 FHADRP CC[N@H+](C)[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000079992528 929591034 /nfs/dbraw/zinc/59/10/34/929591034.db2.gz CXJPIRPZITVWNE-XVAXZDLZSA-N 2 0 357.542 3.593 20 0 FHADRP Brc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ncccc12 ZINC000583321997 937349371 /nfs/dbraw/zinc/34/93/71/937349371.db2.gz OSVQMZJZBDKWOS-CABCVRRESA-N 2 0 374.326 3.819 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2)CC1 ZINC000683765933 930085003 /nfs/dbraw/zinc/08/50/03/930085003.db2.gz KNXDZEFZRJLEDR-UHFFFAOYSA-N 2 0 374.532 3.662 20 0 FHADRP COc1ccc([C@H](CC(C)C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000647288390 937389271 /nfs/dbraw/zinc/38/92/71/937389271.db2.gz BKRXTSLSEXWMRS-KNQAVFIVSA-N 2 0 359.558 3.541 20 0 FHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc2c1CCCC2 ZINC000092821369 937391661 /nfs/dbraw/zinc/39/16/61/937391661.db2.gz CKKZWWDOEVVAJL-UHFFFAOYSA-N 2 0 354.498 3.687 20 0 FHADRP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c1OC ZINC000580297651 930449481 /nfs/dbraw/zinc/44/94/81/930449481.db2.gz SMYPGAFUMIAIJT-HXUWFJFHSA-N 2 0 368.521 3.666 20 0 FHADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000397953582 930480055 /nfs/dbraw/zinc/48/00/55/930480055.db2.gz ASEBDTQBAZIHRB-AYWYSENESA-N 2 0 358.526 3.609 20 0 FHADRP [NH3+]CCC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000580654073 930968596 /nfs/dbraw/zinc/96/85/96/930968596.db2.gz PDPUOTXKPRNJAF-FQEVSTJZSA-N 2 0 355.457 3.566 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000580895047 931310333 /nfs/dbraw/zinc/31/03/33/931310333.db2.gz PGDMEQATRLRSIZ-WIYYLYMNSA-N 2 0 357.542 3.580 20 0 FHADRP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@@H]3C[N@H+](Cc5ccccc5)C[C@@H]34)ccc12 ZINC000656404508 931593817 /nfs/dbraw/zinc/59/38/17/931593817.db2.gz ZMTGICAUYSFDFN-NXYDZRKXSA-N 2 0 372.516 3.905 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000581178828 931643956 /nfs/dbraw/zinc/64/39/56/931643956.db2.gz ADCOLMARCDNGGU-NUNAXRQHSA-N 2 0 355.570 3.813 20 0 FHADRP COc1ccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(OC)c1C ZINC001279224078 931785670 /nfs/dbraw/zinc/78/56/70/931785670.db2.gz MBIZVHLANXQYLX-UHFFFAOYSA-N 2 0 358.526 3.853 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(C)c1 ZINC000581385752 931928144 /nfs/dbraw/zinc/92/81/44/931928144.db2.gz OBJRGBRUHKLRRP-QHCPKHFHSA-N 2 0 351.538 3.983 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430583279 931957758 /nfs/dbraw/zinc/95/77/58/931957758.db2.gz XJMGZMULRUZDDW-QZTJIDSGSA-N 2 0 367.537 3.727 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000656537885 932029821 /nfs/dbraw/zinc/02/98/21/932029821.db2.gz IILLATISGUFMSB-BDTNDASRSA-N 2 0 362.521 3.744 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1cccc(Cl)c1Cl ZINC000581423593 932045328 /nfs/dbraw/zinc/04/53/28/932045328.db2.gz IBRKQPINFRITPC-LLVKDONJSA-N 2 0 354.281 3.885 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000581476207 932128956 /nfs/dbraw/zinc/12/89/56/932128956.db2.gz KBXZXBJYLVLLCG-QAPCUYQASA-N 2 0 370.497 3.760 20 0 FHADRP [NH3+]C[C@@H]1CCCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000430608577 932211431 /nfs/dbraw/zinc/21/14/31/932211431.db2.gz DQQFZQFPGQEWIY-LBPRGKRZSA-N 2 0 366.328 3.743 20 0 FHADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430611135 932255306 /nfs/dbraw/zinc/25/53/06/932255306.db2.gz NIFWXALQLHGALK-GOSISDBHSA-N 2 0 367.493 3.739 20 0 FHADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000090401545 932403110 /nfs/dbraw/zinc/40/31/10/932403110.db2.gz LHUWMXMGMVNGFY-OWCLPIDISA-N 2 0 359.539 3.912 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC000656782382 932411066 /nfs/dbraw/zinc/41/10/66/932411066.db2.gz FPJFTKNQBMMOGO-IBGZPJMESA-N 2 0 352.526 3.607 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786268 932418424 /nfs/dbraw/zinc/41/84/24/932418424.db2.gz RDXDTYYQCYDCEJ-JOCHJYFZSA-N 2 0 366.553 3.760 20 0 FHADRP CCOc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1OC(F)F ZINC000656783895 932420072 /nfs/dbraw/zinc/42/00/72/932420072.db2.gz BAWFJBDKNJNREX-MRXNPFEDSA-N 2 0 368.468 3.898 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656783827 932420096 /nfs/dbraw/zinc/42/00/96/932420096.db2.gz AHVCGHUJTLZNDU-KRWDZBQOSA-N 2 0 368.468 3.898 20 0 FHADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785545 932420606 /nfs/dbraw/zinc/42/06/06/932420606.db2.gz LTVDOSWBLAQXAC-OAHLLOKOSA-N 2 0 354.441 3.508 20 0 FHADRP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786598 932421077 /nfs/dbraw/zinc/42/10/77/932421077.db2.gz UZKAKGPIZJZYMO-QGZVFWFLSA-N 2 0 358.917 3.942 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656787014 932426011 /nfs/dbraw/zinc/42/60/11/932426011.db2.gz ZLTSMFUIOZJLQW-MRXNPFEDSA-N 2 0 367.331 3.669 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000430648122 932560340 /nfs/dbraw/zinc/56/03/40/932560340.db2.gz YZPMNFWGKJZPPV-UHFFFAOYSA-N 2 0 366.328 3.743 20 0 FHADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cc1 ZINC000581825463 932688556 /nfs/dbraw/zinc/68/85/56/932688556.db2.gz ZQWSNXAZHGYUTF-JOCHJYFZSA-N 2 0 365.521 3.908 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cn1 ZINC000090971307 933109562 /nfs/dbraw/zinc/10/95/62/933109562.db2.gz GSPNVEFEODXOTK-KRWDZBQOSA-N 2 0 368.500 3.604 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650522 933355112 /nfs/dbraw/zinc/35/51/12/933355112.db2.gz KBQJCSJLIYINBK-GOTSBHOMSA-N 2 0 372.553 3.845 20 0 FHADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430930093 933424526 /nfs/dbraw/zinc/42/45/26/933424526.db2.gz RRFPWKCLSBWZBB-UHFFFAOYSA-N 2 0 352.526 3.745 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430956985 933486461 /nfs/dbraw/zinc/48/64/61/933486461.db2.gz MWXIOVNCMREQPH-QGZVFWFLSA-N 2 0 351.494 3.741 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000430958817 933498599 /nfs/dbraw/zinc/49/85/99/933498599.db2.gz UNIGHHYDTBOGAT-LBPRGKRZSA-N 2 0 364.287 3.663 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510796538 933735453 /nfs/dbraw/zinc/73/54/53/933735453.db2.gz JIZINIFDLYLPLX-MSOLQXFVSA-N 2 0 357.542 3.521 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000431067421 933758854 /nfs/dbraw/zinc/75/88/54/933758854.db2.gz WJTNJAUXCMGXKR-GOSISDBHSA-N 2 0 357.542 3.679 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000510823459 933806665 /nfs/dbraw/zinc/80/66/65/933806665.db2.gz BNHCLXUOVNWRQD-RBUKOAKNSA-N 2 0 359.558 3.910 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)cc1 ZINC000510839815 933836561 /nfs/dbraw/zinc/83/65/61/933836561.db2.gz XXDJLNPECOUQTK-RTBURBONSA-N 2 0 359.558 3.911 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@@H](C)O1 ZINC000092587415 934100076 /nfs/dbraw/zinc/10/00/76/934100076.db2.gz ZYSZEEFIGHWBOG-HZPDHXFCSA-N 2 0 365.587 3.762 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@@H]21 ZINC000262095760 934158433 /nfs/dbraw/zinc/15/84/33/934158433.db2.gz IJBOUKDTAUPCJG-ISTRZQFTSA-N 2 0 360.299 3.557 20 0 FHADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535682600 934272856 /nfs/dbraw/zinc/27/28/56/934272856.db2.gz ZCFNVIAGCDOYSD-FQEVSTJZSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276998673 934432023 /nfs/dbraw/zinc/43/20/23/934432023.db2.gz YWNSJMJHDROFDM-BZUAXINKSA-N 2 0 358.486 3.611 20 0 FHADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)c2)CC1 ZINC000236638570 934756358 /nfs/dbraw/zinc/75/63/58/934756358.db2.gz WUDUHOVCCYEKKU-JOCHJYFZSA-N 2 0 365.521 3.625 20 0 FHADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277223719 934815302 /nfs/dbraw/zinc/81/53/02/934815302.db2.gz LOSPPZWWKLEXJF-QUCCMNQESA-N 2 0 362.583 3.653 20 0 FHADRP C[C@@H]([NH2+]CCc1cc(Cl)ccc1Br)C1CC[NH+](C)CC1 ZINC000090579571 934880959 /nfs/dbraw/zinc/88/09/59/934880959.db2.gz LYGRPUYWWOKBDN-GFCCVEGCSA-N 2 0 359.739 3.965 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000657296143 934992101 /nfs/dbraw/zinc/99/21/01/934992101.db2.gz ARRWJZGLSUZKQI-UHFFFAOYSA-N 2 0 354.420 3.571 20 0 FHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000472089758 934993405 /nfs/dbraw/zinc/99/34/05/934993405.db2.gz HWEZFZVAEUQIII-IBGZPJMESA-N 2 0 374.573 3.633 20 0 FHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000472098337 935016085 /nfs/dbraw/zinc/01/60/85/935016085.db2.gz RUBASFXZBUIVMU-UHFFFAOYSA-N 2 0 374.573 3.544 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000657309417 935087331 /nfs/dbraw/zinc/08/73/31/935087331.db2.gz CGDLALVPKZMOEY-QGZVFWFLSA-N 2 0 352.526 3.962 20 0 FHADRP c1ccc([C@@H]2CCC[C@@H](C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)O2)cc1 ZINC001167533868 935141275 /nfs/dbraw/zinc/14/12/75/935141275.db2.gz NAPHIRUFVBPVKY-GOTSBHOMSA-N 2 0 372.553 3.874 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000152000354 935156347 /nfs/dbraw/zinc/15/63/47/935156347.db2.gz QSEKUKAPSQNNCL-QFIPXVFZSA-N 2 0 365.521 3.836 20 0 FHADRP C[NH+]1CCC(C2CC[NH+](Cc3cccc(O)c3Br)CC2)CC1 ZINC001140548565 935216808 /nfs/dbraw/zinc/21/68/08/935216808.db2.gz QAKGNDGSAWXGIW-UHFFFAOYSA-N 2 0 367.331 3.709 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657346730 935303369 /nfs/dbraw/zinc/30/33/69/935303369.db2.gz HQMREJRYZNZKAL-SFHVURJKSA-N 2 0 357.567 3.778 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-n2ccnn2)c1 ZINC000582140532 935324562 /nfs/dbraw/zinc/32/45/62/935324562.db2.gz UWKPPBARSXMUJZ-JENIJYKNSA-N 2 0 353.514 3.571 20 0 FHADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000657359920 935342255 /nfs/dbraw/zinc/34/22/55/935342255.db2.gz RPYNJAJYMADPHZ-IBGZPJMESA-N 2 0 355.551 3.673 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000582181850 935382549 /nfs/dbraw/zinc/38/25/49/935382549.db2.gz VRSKDZDIAGIAAK-LGYWMIHWSA-N 2 0 363.505 3.740 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548716359 935463198 /nfs/dbraw/zinc/46/31/98/935463198.db2.gz FBMDJFMMOPYCAT-OALUTQOASA-N 2 0 351.579 3.515 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000519078248 945104691 /nfs/dbraw/zinc/10/46/91/945104691.db2.gz HWHBETADTYFWMO-OALUTQOASA-N 2 0 374.573 3.591 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000511785670 945109400 /nfs/dbraw/zinc/10/94/00/945109400.db2.gz MLLCOIGMEDEGAH-UHFFFAOYSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000647248824 935561424 /nfs/dbraw/zinc/56/14/24/935561424.db2.gz INHNIKLPJGQZBV-UQAQOTMJSA-N 2 0 363.549 3.757 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](CC)CN1C(C)=O ZINC001167568489 935599772 /nfs/dbraw/zinc/59/97/72/935599772.db2.gz UECBRZBCVVMZHC-DHIUTWEWSA-N 2 0 371.569 3.894 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657414893 935630321 /nfs/dbraw/zinc/63/03/21/935630321.db2.gz FWIDCIAHAZYKBW-NQIIRXRSSA-N 2 0 352.526 3.683 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000519106348 945113231 /nfs/dbraw/zinc/11/32/31/945113231.db2.gz ZTHCATQHAAUUIC-QFIPXVFZSA-N 2 0 371.569 3.586 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000657425986 935682277 /nfs/dbraw/zinc/68/22/77/935682277.db2.gz UBIJKQNNDPDHME-SFHVURJKSA-N 2 0 369.509 3.502 20 0 FHADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000657428011 935689086 /nfs/dbraw/zinc/68/90/86/935689086.db2.gz VEFUJPQQFUWAKC-UHFFFAOYSA-N 2 0 358.432 3.895 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430241 935702437 /nfs/dbraw/zinc/70/24/37/935702437.db2.gz PCIQZDQZHCRENP-KPLVRAHFSA-N 2 0 358.526 3.597 20 0 FHADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)[nH]c2c1 ZINC000657430565 935720099 /nfs/dbraw/zinc/72/00/99/935720099.db2.gz RGYRSTYLTPSGID-JOCHJYFZSA-N 2 0 363.505 3.723 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)C1 ZINC000161289119 935760526 /nfs/dbraw/zinc/76/05/26/935760526.db2.gz DDXSCBVLQXXMAV-GOSISDBHSA-N 2 0 358.526 3.694 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161291464 935777434 /nfs/dbraw/zinc/77/74/34/935777434.db2.gz ISZUBXITYDICMA-SFHVURJKSA-N 2 0 358.526 3.694 20 0 FHADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657485181 935859438 /nfs/dbraw/zinc/85/94/38/935859438.db2.gz VJJJORVGYBZXRC-UHFFFAOYSA-N 2 0 372.582 3.624 20 0 FHADRP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000657495967 935874723 /nfs/dbraw/zinc/87/47/23/935874723.db2.gz LETBDBCYNJBBPL-GCJKJVERSA-N 2 0 371.569 3.832 20 0 FHADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000158649787 935885003 /nfs/dbraw/zinc/88/50/03/935885003.db2.gz QJCLUKTTZGZWFJ-KSZLIROESA-N 2 0 359.514 3.662 20 0 FHADRP Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684967861 935915733 /nfs/dbraw/zinc/91/57/33/935915733.db2.gz ROTCUMDQYGMDEU-JOCHJYFZSA-N 2 0 368.525 3.622 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(C)C)CC1 ZINC000582672336 935927108 /nfs/dbraw/zinc/92/71/08/935927108.db2.gz JQVNPWFARMABQS-QFIPXVFZSA-N 2 0 371.569 3.586 20 0 FHADRP Cc1cnc(CC[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000093807411 945134037 /nfs/dbraw/zinc/13/40/37/945134037.db2.gz RHZJSQBSUUUJDI-UHFFFAOYSA-N 2 0 359.539 3.601 20 0 FHADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000414960077 945135307 /nfs/dbraw/zinc/13/53/07/945135307.db2.gz ABJKJECESOSZHV-OAHLLOKOSA-N 2 0 352.404 3.513 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)c(Br)c2)C1 ZINC001167602046 935966088 /nfs/dbraw/zinc/96/60/88/935966088.db2.gz IRGFRCKLXDLUII-KRWDZBQOSA-N 2 0 369.347 3.690 20 0 FHADRP FC(F)(F)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657537099 935976376 /nfs/dbraw/zinc/97/63/76/935976376.db2.gz ZYCRCGOZEPVFOY-UHFFFAOYSA-N 2 0 356.432 3.686 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)cc2)C1 ZINC000657594540 936074227 /nfs/dbraw/zinc/07/42/27/936074227.db2.gz BJPCIJKNEWWHPF-DNVJHFABSA-N 2 0 350.506 3.679 20 0 FHADRP CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597555 936079945 /nfs/dbraw/zinc/07/99/45/936079945.db2.gz UQYXDHCXOLYOKH-IBGZPJMESA-N 2 0 374.912 3.595 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000657599164 936081926 /nfs/dbraw/zinc/08/19/26/936081926.db2.gz PFOZMSHJHZGRSN-RTWAWAEBSA-N 2 0 371.569 3.668 20 0 FHADRP c1ccc(OCC2CC2)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613129 936093319 /nfs/dbraw/zinc/09/33/19/936093319.db2.gz WJBNCNIXLIBAIY-UHFFFAOYSA-N 2 0 365.521 3.872 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CC1(C)C ZINC000582799734 936139678 /nfs/dbraw/zinc/13/96/78/936139678.db2.gz YBQREPYKSPBGHZ-CEWLAPEOSA-N 2 0 356.554 3.939 20 0 FHADRP Cn1ccnc1C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccccc1 ZINC000657648465 936151437 /nfs/dbraw/zinc/15/14/37/936151437.db2.gz LENKQMYZMDFZAA-ROUUACIJSA-N 2 0 368.506 3.802 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237672432 936197763 /nfs/dbraw/zinc/19/77/63/936197763.db2.gz VXZODVUYAXHCGH-DENIHFKCSA-N 2 0 371.569 3.705 20 0 FHADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000672619619 936201680 /nfs/dbraw/zinc/20/16/80/936201680.db2.gz ONJZBIPPJLSQMV-QGZVFWFLSA-N 2 0 350.934 3.803 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000657678467 936231493 /nfs/dbraw/zinc/23/14/93/936231493.db2.gz QYOVTTQYTWTVCI-JOCHJYFZSA-N 2 0 355.570 3.690 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnc(C)nc3C)CC2)cc1 ZINC000120672634 936243704 /nfs/dbraw/zinc/24/37/04/936243704.db2.gz KNGBKMGHRHAGPA-INIZCTEOSA-N 2 0 368.525 3.665 20 0 FHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000150996345 938261561 /nfs/dbraw/zinc/26/15/61/938261561.db2.gz XGPDAKGVXZPJLC-FGZHOGPDSA-N 2 0 371.569 3.654 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000650706211 938285262 /nfs/dbraw/zinc/28/52/62/938285262.db2.gz GNJPHGKZEINCFW-KFKAGJAMSA-N 2 0 359.901 3.607 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)c(F)c1 ZINC000650717811 938304761 /nfs/dbraw/zinc/30/47/61/938304761.db2.gz NOABABPRYIMQOH-UHFFFAOYSA-N 2 0 360.326 3.654 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722797 938309978 /nfs/dbraw/zinc/30/99/78/938309978.db2.gz BKYCVQXTPCKKFL-BHIYHBOVSA-N 2 0 357.523 3.671 20 0 FHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723102 938310176 /nfs/dbraw/zinc/31/01/76/938310176.db2.gz HOZVVJYVQKXWQM-CGTJXYLNSA-N 2 0 367.331 3.618 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000650723137 938310186 /nfs/dbraw/zinc/31/01/86/938310186.db2.gz HVSVSHARNSLRLK-NXHRZFHOSA-N 2 0 367.331 3.618 20 0 FHADRP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@@H+]1C1CC1 ZINC000657774504 938314192 /nfs/dbraw/zinc/31/41/92/938314192.db2.gz ZHPZQBATJJWEDP-HMXCVIKNSA-N 2 0 353.554 3.504 20 0 FHADRP CN(C)c1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773056 938314639 /nfs/dbraw/zinc/31/46/39/938314639.db2.gz YSISYFWKFAXTEY-GOSISDBHSA-N 2 0 370.566 3.601 20 0 FHADRP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC(F)F ZINC000650752758 938400544 /nfs/dbraw/zinc/40/05/44/938400544.db2.gz ZVFCETWBHMKFMV-NSHDSACASA-N 2 0 354.372 3.745 20 0 FHADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000583775924 938401514 /nfs/dbraw/zinc/40/15/14/938401514.db2.gz JTHAWBQKPYYYEP-KRWDZBQOSA-N 2 0 357.498 3.660 20 0 FHADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753528 938401538 /nfs/dbraw/zinc/40/15/38/938401538.db2.gz PKALDJTWLGGDPG-GFCCVEGCSA-N 2 0 356.470 3.962 20 0 FHADRP Cc1nc(F)ccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000278507000 938488675 /nfs/dbraw/zinc/48/86/75/938488675.db2.gz OIPFUXDMHAVUCK-UHFFFAOYSA-N 2 0 371.500 3.690 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)c2ccccc2CC[NH3+])CCCC1)c1ccccc1 ZINC000583941697 938491643 /nfs/dbraw/zinc/49/16/43/938491643.db2.gz COZWKRQXHCOSBL-SFHVURJKSA-N 2 0 365.521 3.581 20 0 FHADRP CC[C@@H](CC(F)F)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660538306 945179914 /nfs/dbraw/zinc/17/99/14/945179914.db2.gz ONQHWDZIOAATIQ-AZUAARDMSA-N 2 0 365.512 3.560 20 0 FHADRP CC(C)n1ncc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)c(Cl)nc21 ZINC000278547196 938523570 /nfs/dbraw/zinc/52/35/70/938523570.db2.gz YQBBEDAOYQBOHK-UHFFFAOYSA-N 2 0 361.921 3.630 20 0 FHADRP c1cn(Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)cn1 ZINC000151304501 938525369 /nfs/dbraw/zinc/52/53/69/938525369.db2.gz WEEBADMEPMAJFR-UHFFFAOYSA-N 2 0 352.526 3.818 20 0 FHADRP CC(C)COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132992345 938553420 /nfs/dbraw/zinc/55/34/20/938553420.db2.gz IHKMYHRBWWEVGU-OALUTQOASA-N 2 0 360.542 3.873 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000133168405 938563783 /nfs/dbraw/zinc/56/37/83/938563783.db2.gz FREBINOEYLDKAT-LSDHHAIUSA-N 2 0 372.431 3.737 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(COC)c2)CC1 ZINC000151540390 938567381 /nfs/dbraw/zinc/56/73/81/938567381.db2.gz BHOSSPRSCGWHAQ-UHFFFAOYSA-N 2 0 367.537 3.655 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000657832149 938624630 /nfs/dbraw/zinc/62/46/30/938624630.db2.gz ITNBTZGDBJUVEY-VQTJNVASSA-N 2 0 351.966 3.523 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000584172400 938628315 /nfs/dbraw/zinc/62/83/15/938628315.db2.gz ODFJKDZOGRNLDV-UHFFFAOYSA-N 2 0 366.431 3.713 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657835862 938641439 /nfs/dbraw/zinc/64/14/39/938641439.db2.gz OYCSGTYTDZAIGR-HXUWFJFHSA-N 2 0 357.586 3.504 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000657836727 938644151 /nfs/dbraw/zinc/64/41/51/938644151.db2.gz VNAVFWHZLVAPBQ-HXUWFJFHSA-N 2 0 351.966 3.668 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000151799836 938679342 /nfs/dbraw/zinc/67/93/42/938679342.db2.gz VRAUMKHHCPBQHT-KRWDZBQOSA-N 2 0 372.484 3.973 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000657837961 938681370 /nfs/dbraw/zinc/68/13/70/938681370.db2.gz LBFCAVBRLFHSFC-WMZHIEFXSA-N 2 0 374.569 3.840 20 0 FHADRP Cn1cnc2cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000584323270 938686680 /nfs/dbraw/zinc/68/66/80/938686680.db2.gz GLBRIUHNRZSIQB-RTWAWAEBSA-N 2 0 360.505 3.527 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000151844566 938703794 /nfs/dbraw/zinc/70/37/94/938703794.db2.gz BLEBKRYQOWSNJH-OAHLLOKOSA-N 2 0 362.514 3.909 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C(F)F ZINC000657850238 938718525 /nfs/dbraw/zinc/71/85/25/938718525.db2.gz PAYVKPIDWWYGHY-KRWDZBQOSA-N 2 0 353.501 3.858 20 0 FHADRP Cc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC001143454674 938797327 /nfs/dbraw/zinc/79/73/27/938797327.db2.gz HRUZOXBOWVYLQD-UHFFFAOYSA-N 2 0 359.480 3.719 20 0 FHADRP CC(C)(C)[NH+]1CCC(NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000089512797 938865101 /nfs/dbraw/zinc/86/51/01/938865101.db2.gz KDYHZVNXBCIDCQ-UHFFFAOYSA-N 2 0 361.549 3.685 20 0 FHADRP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753539 938883165 /nfs/dbraw/zinc/88/31/65/938883165.db2.gz ADCLEQZGJLVVPP-DFNIBXOVSA-N 2 0 365.562 3.581 20 0 FHADRP CC(C)[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000091284263 938899165 /nfs/dbraw/zinc/89/91/65/938899165.db2.gz FIKUHDHVWOPFCG-PKTZIBPZSA-N 2 0 366.553 3.747 20 0 FHADRP CC(C)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000091368226 938900456 /nfs/dbraw/zinc/90/04/56/938900456.db2.gz ZTXRFFBWXHYCIT-NRFANRHFSA-N 2 0 359.558 3.600 20 0 FHADRP COCC1(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC[NH2+]CC1 ZINC000414967072 945216578 /nfs/dbraw/zinc/21/65/78/945216578.db2.gz CVURFDPPCSFHQN-UHFFFAOYSA-N 2 0 372.484 3.511 20 0 FHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737112 938937046 /nfs/dbraw/zinc/93/70/46/938937046.db2.gz VTFYEPVHBKCAFM-HNNXBMFYSA-N 2 0 371.447 3.698 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657869954 938943988 /nfs/dbraw/zinc/94/39/88/938943988.db2.gz AXAFUTGYQNALMZ-FUHWJXTLSA-N 2 0 365.562 3.904 20 0 FHADRP O[C@@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CCN(Cc2ccccc2)C1 ZINC000511271678 938977933 /nfs/dbraw/zinc/97/79/33/938977933.db2.gz MHRARGPKHAVNHT-OBFZPWGMSA-N 2 0 370.924 3.813 20 0 FHADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000685422073 938985565 /nfs/dbraw/zinc/98/55/65/938985565.db2.gz MWHSJHQWJJQLEF-OAHLLOKOSA-N 2 0 358.448 3.899 20 0 FHADRP CCc1oc2ccccc2c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457842 938987992 /nfs/dbraw/zinc/98/79/92/938987992.db2.gz PRTRVBVOQVPVDN-SFHVURJKSA-N 2 0 355.526 3.596 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc2cnccc2o1 ZINC000657901736 938993260 /nfs/dbraw/zinc/99/32/60/938993260.db2.gz UVTPGWQOKQWPAJ-MRXNPFEDSA-N 2 0 365.477 3.635 20 0 FHADRP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1)CCC2 ZINC000093364876 938995336 /nfs/dbraw/zinc/99/53/36/938995336.db2.gz BQJKEBOCTQIMRZ-LJQANCHMSA-N 2 0 359.539 3.901 20 0 FHADRP CC(C)(O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000382313941 938997683 /nfs/dbraw/zinc/99/76/83/938997683.db2.gz OVQCLONSZORNOR-OAQYLSRUSA-N 2 0 352.522 3.916 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925466 939007815 /nfs/dbraw/zinc/00/78/15/939007815.db2.gz NVGIBTCUKGELEX-WBAXXEDZSA-N 2 0 359.539 3.715 20 0 FHADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658028325 939018668 /nfs/dbraw/zinc/01/86/68/939018668.db2.gz CEDMBYVEPYFSRD-OOKSDGMUSA-N 2 0 351.332 3.985 20 0 FHADRP C[C@@H]([NH2+]CCc1noc2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000658066362 939021496 /nfs/dbraw/zinc/02/14/96/939021496.db2.gz KPFXNOHLKHZMKQ-MRXNPFEDSA-N 2 0 353.466 3.662 20 0 FHADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066478 939021522 /nfs/dbraw/zinc/02/15/22/939021522.db2.gz AXOVRFDQAKKSBH-NRFANRHFSA-N 2 0 358.526 3.689 20 0 FHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068986 939021613 /nfs/dbraw/zinc/02/16/13/939021613.db2.gz BYJKPBHTOOPWQE-OAHLLOKOSA-N 2 0 366.933 3.890 20 0 FHADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068710 939021701 /nfs/dbraw/zinc/02/17/01/939021701.db2.gz YNRKUGODOFUFNX-KSFYIVLOSA-N 2 0 360.517 3.930 20 0 FHADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCC2 ZINC000658068191 939021745 /nfs/dbraw/zinc/02/17/45/939021745.db2.gz BBEPCXWUSHEUBF-QFIPXVFZSA-N 2 0 358.526 3.553 20 0 FHADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071791 939021930 /nfs/dbraw/zinc/02/19/30/939021930.db2.gz ZIERWPYCENWMAF-QGZVFWFLSA-N 2 0 356.510 3.844 20 0 FHADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000658108663 939028587 /nfs/dbraw/zinc/02/85/87/939028587.db2.gz OUSJDLYSABXJHK-IRXDYDNUSA-N 2 0 360.571 3.733 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000658109812 939028782 /nfs/dbraw/zinc/02/87/82/939028782.db2.gz YDBKZRWKGBJSLP-DLBZAZTESA-N 2 0 360.571 3.733 20 0 FHADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137053 939030407 /nfs/dbraw/zinc/03/04/07/939030407.db2.gz IRBXXWOCLRFUOE-AGHHOFFYSA-N 2 0 350.506 3.900 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142790 939035526 /nfs/dbraw/zinc/03/55/26/939035526.db2.gz WMZJVIIGHDVEQC-FYYLOGMGSA-N 2 0 350.506 3.811 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCC(F)(F)CC1 ZINC000658142902 939035608 /nfs/dbraw/zinc/03/56/08/939035608.db2.gz ZTNOSRIZHLOMSJ-KXBFYZLASA-N 2 0 352.469 3.557 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000548860553 939038143 /nfs/dbraw/zinc/03/81/43/939038143.db2.gz BINQVLRQYAVKDI-UHFFFAOYSA-N 2 0 363.855 3.770 20 0 FHADRP CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137192 939040796 /nfs/dbraw/zinc/04/07/96/939040796.db2.gz JROHRFZNJFSHKS-UTKZUKDTSA-N 2 0 370.562 3.696 20 0 FHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138727 939041607 /nfs/dbraw/zinc/04/16/07/939041607.db2.gz KCCJOPRDKXAOFC-JTSKRJEESA-N 2 0 356.485 3.503 20 0 FHADRP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658138348 939042215 /nfs/dbraw/zinc/04/22/15/939042215.db2.gz JFTFSMOQGLDGFU-UYAOXDASSA-N 2 0 354.494 3.650 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138107 939042415 /nfs/dbraw/zinc/04/24/15/939042415.db2.gz MSJDGFUHFVZMCJ-LAUBAEHRSA-N 2 0 361.489 3.652 20 0 FHADRP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CCC2)o1 ZINC000658140922 939043307 /nfs/dbraw/zinc/04/33/07/939043307.db2.gz VXVGJQVPUIXKTH-RBBKRZOGSA-N 2 0 354.494 3.786 20 0 FHADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CCC2)o1 ZINC000658140926 939043417 /nfs/dbraw/zinc/04/34/17/939043417.db2.gz VXVGJQVPUIXKTH-UNMCSNQZSA-N 2 0 354.494 3.786 20 0 FHADRP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658165368 939053571 /nfs/dbraw/zinc/05/35/71/939053571.db2.gz IXTKVTDKHAHQNL-IBGZPJMESA-N 2 0 360.505 3.532 20 0 FHADRP Oc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000658165300 939053788 /nfs/dbraw/zinc/05/37/88/939053788.db2.gz IIDMPARBQZRTRF-QFIPXVFZSA-N 2 0 351.494 3.666 20 0 FHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658166240 939054214 /nfs/dbraw/zinc/05/42/14/939054214.db2.gz NFSDYZMLMFITQG-QGZVFWFLSA-N 2 0 366.509 3.603 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1N(C)C ZINC000658168356 939055375 /nfs/dbraw/zinc/05/53/75/939055375.db2.gz WFQNQMRXJWDOJS-SFHVURJKSA-N 2 0 352.526 3.710 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511828529 945225064 /nfs/dbraw/zinc/22/50/64/945225064.db2.gz YESCAEPZHVBEFG-ZRBLBEILSA-N 2 0 355.570 3.671 20 0 FHADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319444 939111202 /nfs/dbraw/zinc/11/12/02/939111202.db2.gz AWBXWBOIGIYVEY-PZJWPPBQSA-N 2 0 364.537 3.689 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cn1 ZINC000658352332 939123589 /nfs/dbraw/zinc/12/35/89/939123589.db2.gz DURVKWFCHXZQRD-ZDUSSCGKSA-N 2 0 352.320 3.617 20 0 FHADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367536 939140886 /nfs/dbraw/zinc/14/08/86/939140886.db2.gz ICADYVIOJLCNGN-WOJBJXKFSA-N 2 0 354.494 3.573 20 0 FHADRP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506033510 945251162 /nfs/dbraw/zinc/25/11/62/945251162.db2.gz YEUOMFVCDOLCNS-INIZCTEOSA-N 2 0 352.469 3.850 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000507476583 945262129 /nfs/dbraw/zinc/26/21/29/945262129.db2.gz KBWLHRHYKSFTJD-INIZCTEOSA-N 2 0 367.331 3.984 20 0 FHADRP CCCCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(C)n1 ZINC000507497021 945268322 /nfs/dbraw/zinc/26/83/22/945268322.db2.gz QKJYPFNPMHYXGN-YMPZKCBVSA-N 2 0 366.553 3.992 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507488324 945274780 /nfs/dbraw/zinc/27/47/80/945274780.db2.gz UHUQNJKVBPBHGJ-KEZOAJOQSA-N 2 0 364.533 3.783 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000506040040 945281450 /nfs/dbraw/zinc/28/14/50/945281450.db2.gz HDKMRIXNZVQUEU-JOCHJYFZSA-N 2 0 352.526 3.504 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000507511085 945290620 /nfs/dbraw/zinc/29/06/20/945290620.db2.gz NQVHNKAXDRVTOG-IBGZPJMESA-N 2 0 366.553 3.632 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000375892645 940025539 /nfs/dbraw/zinc/02/55/39/940025539.db2.gz ZDWSAAGWIFOAJY-ONTIZHBOSA-N 2 0 351.494 3.590 20 0 FHADRP Cc1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)nc1 ZINC000163451249 940052481 /nfs/dbraw/zinc/05/24/81/940052481.db2.gz ZNDNBOPQOMITGO-UHFFFAOYSA-N 2 0 356.558 3.746 20 0 FHADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000507536270 945295524 /nfs/dbraw/zinc/29/55/24/945295524.db2.gz WLXJOJWILQQYKX-FVTFTPSCSA-N 2 0 356.554 3.675 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647497779 940377457 /nfs/dbraw/zinc/37/74/57/940377457.db2.gz VDSWRQPHDIVFOJ-OXQOHEQNSA-N 2 0 370.541 3.873 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749833 940467372 /nfs/dbraw/zinc/46/73/72/940467372.db2.gz FAJKPYGWXNBFJK-SBHAEUEKSA-N 2 0 363.590 3.658 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000414064852 940473174 /nfs/dbraw/zinc/47/31/74/940473174.db2.gz FFSHIHWRAHNICP-SLYNCCJLSA-N 2 0 363.977 3.839 20 0 FHADRP Cc1ccc([C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000431777749 940492310 /nfs/dbraw/zinc/49/23/10/940492310.db2.gz CBNKSVMGNKCUBR-PMACEKPBSA-N 2 0 369.509 3.534 20 0 FHADRP CC1CC[NH+](Cc2cccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000431779141 940492917 /nfs/dbraw/zinc/49/29/17/940492917.db2.gz QVGVRRLKFWUDPY-QFIPXVFZSA-N 2 0 371.569 3.799 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000431783665 940498083 /nfs/dbraw/zinc/49/80/83/940498083.db2.gz UTIHMZVRCKSDHS-RBUKOAKNSA-N 2 0 361.530 3.576 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000431783666 940498111 /nfs/dbraw/zinc/49/81/11/940498111.db2.gz UTIHMZVRCKSDHS-RTBURBONSA-N 2 0 361.530 3.576 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1csc(-c2ccccc2)n1 ZINC000414115108 940602252 /nfs/dbraw/zinc/60/22/52/940602252.db2.gz MOAJIVNZOSVCHN-KRWDZBQOSA-N 2 0 372.582 3.734 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431803224 940608621 /nfs/dbraw/zinc/60/86/21/940608621.db2.gz XENZSXUXTHJQIY-QFIPXVFZSA-N 2 0 371.569 3.943 20 0 FHADRP COc1ccc(C[NH+](C)C/C=C\C[N@@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000613351364 940623503 /nfs/dbraw/zinc/62/35/03/940623503.db2.gz GEYNRICUNBXDOA-WAYWQWQTSA-N 2 0 354.494 3.824 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414130790 940643999 /nfs/dbraw/zinc/64/39/99/940643999.db2.gz WWHXHZHRKCPOGR-IHPCNDPISA-N 2 0 350.934 3.803 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414151689 940680940 /nfs/dbraw/zinc/68/09/40/940680940.db2.gz ZBCFUIRVLVFSPL-LMNJBCLMSA-N 2 0 363.977 3.982 20 0 FHADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(C)c1 ZINC000163530871 940694143 /nfs/dbraw/zinc/69/41/43/940694143.db2.gz KFRYIAFFCDKAAZ-GOSISDBHSA-N 2 0 359.558 3.581 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168367 940703983 /nfs/dbraw/zinc/70/39/83/940703983.db2.gz ACDZFIAOHMXSNY-HOCLYGCPSA-N 2 0 361.921 3.612 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000414172451 940708477 /nfs/dbraw/zinc/70/84/77/940708477.db2.gz FERHPQIPOJCDBH-UONOGXRCSA-N 2 0 355.320 3.840 20 0 FHADRP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000414177451 940716478 /nfs/dbraw/zinc/71/64/78/940716478.db2.gz IYJMFZILTFYDDY-YUMYIRISSA-N 2 0 362.517 3.948 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000414195903 940745089 /nfs/dbraw/zinc/74/50/89/940745089.db2.gz VDXADMGORSAGAY-ZIAGYGMSSA-N 2 0 372.294 3.674 20 0 FHADRP CCCC[N@H+](C)CC1CCN(CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000613491365 940768772 /nfs/dbraw/zinc/76/87/72/940768772.db2.gz PHCUTJMHQLZLPB-UHFFFAOYSA-N 2 0 357.542 3.558 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000613492361 940776055 /nfs/dbraw/zinc/77/60/55/940776055.db2.gz JUDDWOQGIGDFCR-LJQANCHMSA-N 2 0 371.569 3.798 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000549037075 940787993 /nfs/dbraw/zinc/78/79/93/940787993.db2.gz CLGDYEGRLOJICQ-UHFFFAOYSA-N 2 0 371.569 3.867 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)cc1 ZINC000892571930 940806367 /nfs/dbraw/zinc/80/63/67/940806367.db2.gz RYIMSUHXPICURF-KRWDZBQOSA-N 2 0 352.526 3.962 20 0 FHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000170756393 940810081 /nfs/dbraw/zinc/81/00/81/940810081.db2.gz UBWZDHHNSNRULT-NRFANRHFSA-N 2 0 374.573 3.585 20 0 FHADRP OC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294327 940908483 /nfs/dbraw/zinc/90/84/83/940908483.db2.gz BYZKRHZGXUXXGK-PKTZIBPZSA-N 2 0 364.533 3.939 20 0 FHADRP CC(C)c1nc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000414302333 940925960 /nfs/dbraw/zinc/92/59/60/940925960.db2.gz KOXDJJKPYXHUNP-QGZVFWFLSA-N 2 0 373.566 3.944 20 0 FHADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549059475 940935322 /nfs/dbraw/zinc/93/53/22/940935322.db2.gz AXJJWXYHWWJONU-UHFFFAOYSA-N 2 0 369.553 3.809 20 0 FHADRP CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414320005 940964090 /nfs/dbraw/zinc/96/40/90/940964090.db2.gz AWCNCXBADMCBGD-UTKZUKDTSA-N 2 0 359.558 3.688 20 0 FHADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414325616 940976399 /nfs/dbraw/zinc/97/63/99/940976399.db2.gz MLRXJEJCPYFTPI-GOSISDBHSA-N 2 0 365.521 3.543 20 0 FHADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414346925 941018075 /nfs/dbraw/zinc/01/80/75/941018075.db2.gz VVECLZYTFYMRFL-FGZHOGPDSA-N 2 0 371.569 3.688 20 0 FHADRP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414346924 941018307 /nfs/dbraw/zinc/01/83/07/941018307.db2.gz VVECLZYTFYMRFL-FCHUYYIVSA-N 2 0 371.569 3.688 20 0 FHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(OCc2ccccn2)c1 ZINC000892632109 941043070 /nfs/dbraw/zinc/04/30/70/941043070.db2.gz RRIWHGDVZNGCOQ-BRIRTLKKSA-N 2 0 351.494 3.936 20 0 FHADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N1CCc2ccccc21 ZINC000057889823 941069772 /nfs/dbraw/zinc/06/97/72/941069772.db2.gz ZPVRHUFYDUKSPA-UHFFFAOYSA-N 2 0 369.553 3.554 20 0 FHADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000414380827 941073370 /nfs/dbraw/zinc/07/33/70/941073370.db2.gz OXBKQZMRKWGCEU-RBUKOAKNSA-N 2 0 370.459 3.871 20 0 FHADRP C[N@@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1c1ccccc1 ZINC000423527022 941124607 /nfs/dbraw/zinc/12/46/07/941124607.db2.gz LXGKAJYFOYOYCM-BPDBVFAESA-N 2 0 353.554 3.565 20 0 FHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000377300058 941128364 /nfs/dbraw/zinc/12/83/64/941128364.db2.gz SSCLILHSACHHOP-KURKYZTESA-N 2 0 356.432 3.598 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000178249048 941212052 /nfs/dbraw/zinc/21/20/52/941212052.db2.gz IHBUXAMORXJOBO-MRXNPFEDSA-N 2 0 355.482 3.679 20 0 FHADRP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000166491094 941246701 /nfs/dbraw/zinc/24/67/01/941246701.db2.gz IETCVXDZRMNNGP-ZWKOTPCHSA-N 2 0 365.562 3.821 20 0 FHADRP O[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000311597838 941337234 /nfs/dbraw/zinc/33/72/34/941337234.db2.gz SHYQFARBUSCOBQ-QFIPXVFZSA-N 2 0 350.506 3.708 20 0 FHADRP C[C@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376639037 941370174 /nfs/dbraw/zinc/37/01/74/941370174.db2.gz ZOHCZWPHHIAFSN-MBSDFSHPSA-N 2 0 361.533 3.714 20 0 FHADRP CO[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000549137508 941514042 /nfs/dbraw/zinc/51/40/42/941514042.db2.gz UKMUWQHNQIWWQT-FQEVSTJZSA-N 2 0 366.933 3.604 20 0 FHADRP Clc1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415011177 941539739 /nfs/dbraw/zinc/53/97/39/941539739.db2.gz QIJSTJXBMBFQQH-VQTJNVASSA-N 2 0 371.912 3.792 20 0 FHADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000415015089 941542294 /nfs/dbraw/zinc/54/22/94/941542294.db2.gz YEKWCSXZHFHPCA-LEWJYISDSA-N 2 0 366.505 3.752 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415028950 941551178 /nfs/dbraw/zinc/55/11/78/941551178.db2.gz ZLKBVBNIHVUJBE-SECBINFHSA-N 2 0 355.198 3.565 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000415045051 941568566 /nfs/dbraw/zinc/56/85/66/941568566.db2.gz SZCMGEBUKRJJLL-KBXCAEBGSA-N 2 0 357.885 3.809 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000415045055 941568619 /nfs/dbraw/zinc/56/86/19/941568619.db2.gz SZCMGEBUKRJJLL-KSSFIOAISA-N 2 0 357.885 3.809 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000415046002 941569074 /nfs/dbraw/zinc/56/90/74/941569074.db2.gz CEYRXXGUYXVRQQ-FGZHOGPDSA-N 2 0 354.494 3.814 20 0 FHADRP C[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000415054873 941574632 /nfs/dbraw/zinc/57/46/32/941574632.db2.gz NYICXUFOVPSOCT-MNNVXMFVSA-N 2 0 369.475 3.615 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079445 941588364 /nfs/dbraw/zinc/58/83/64/941588364.db2.gz HXCXQZAXUZHADV-AEFFLSMTSA-N 2 0 358.869 3.694 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC[NH2+]1 ZINC000415085942 941595855 /nfs/dbraw/zinc/59/58/55/941595855.db2.gz UAWBGDLYMZWLHV-GHMZBOCLSA-N 2 0 363.246 3.528 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106545 941602081 /nfs/dbraw/zinc/60/20/81/941602081.db2.gz JRGVDSKWQPAONT-ROUUACIJSA-N 2 0 356.432 3.732 20 0 FHADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415097803 941602744 /nfs/dbraw/zinc/60/27/44/941602744.db2.gz DNOUUTCDGLDIBN-HNAYVOBHSA-N 2 0 369.475 3.790 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000415117252 941613445 /nfs/dbraw/zinc/61/34/45/941613445.db2.gz CBFXVXVMNQRJRR-HIFRSBDPSA-N 2 0 373.360 3.537 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C(F)(F)F ZINC000415119542 941614872 /nfs/dbraw/zinc/61/48/72/941614872.db2.gz FPVVOEKOGAMRHU-WMZOPIPTSA-N 2 0 356.432 3.732 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)sc1Br ZINC000415119930 941617135 /nfs/dbraw/zinc/61/71/35/941617135.db2.gz FWGZAINFONLPFB-HIFRSBDPSA-N 2 0 373.360 3.537 20 0 FHADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415125335 941620078 /nfs/dbraw/zinc/62/00/78/941620078.db2.gz DHAHMVJEKWLSET-MRXNPFEDSA-N 2 0 357.464 3.691 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127782 941622695 /nfs/dbraw/zinc/62/26/95/941622695.db2.gz RGMUOVYZUKFZCD-APWZRJJASA-N 2 0 359.901 3.607 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415129331 941623112 /nfs/dbraw/zinc/62/31/12/941623112.db2.gz PGRDCMLWVXJSHN-AEFFLSMTSA-N 2 0 370.541 3.730 20 0 FHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137325 941625764 /nfs/dbraw/zinc/62/57/64/941625764.db2.gz SXVMWGZVIFGWLT-IBGZPJMESA-N 2 0 369.528 3.730 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc(C)c1OC(F)F ZINC000415135975 941625925 /nfs/dbraw/zinc/62/59/25/941625925.db2.gz WWUPDWMXSXPKBL-IEBWSBKVSA-N 2 0 368.468 3.623 20 0 FHADRP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404231 941698142 /nfs/dbraw/zinc/69/81/42/941698142.db2.gz PMBPOKWZSZNWHW-FPOVZHCZSA-N 2 0 374.550 3.694 20 0 FHADRP Cc1noc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894209175 941707983 /nfs/dbraw/zinc/70/79/83/941707983.db2.gz PHQMDDXRZRWLJK-SFHVURJKSA-N 2 0 350.466 3.533 20 0 FHADRP O=C(CCCC[NH+]1CCCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000729329915 941718788 /nfs/dbraw/zinc/71/87/88/941718788.db2.gz FTQKBLBIEMMUKG-UHFFFAOYSA-N 2 0 357.542 3.920 20 0 FHADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000729347021 941726662 /nfs/dbraw/zinc/72/66/62/941726662.db2.gz BPEZPBQDRXCYEA-NRFANRHFSA-N 2 0 363.590 3.658 20 0 FHADRP Cc1noc2ncc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cc12 ZINC000894210444 941730973 /nfs/dbraw/zinc/73/09/73/941730973.db2.gz GMKGIXGQSZJCCC-UHFFFAOYSA-N 2 0 356.495 3.595 20 0 FHADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnn(C)c3C3CC3)c2)CC1 ZINC000892945260 941749493 /nfs/dbraw/zinc/74/94/93/941749493.db2.gz ZVPPJEOUSUJBGW-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@@H](CC[NH2+]C1CCN(c2nccs2)CC1)[N@H+](C)Cc1ccccc1 ZINC000513330203 941855810 /nfs/dbraw/zinc/85/58/10/941855810.db2.gz JQXRYUGDZYNEPL-KRWDZBQOSA-N 2 0 358.555 3.612 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000513330394 941856533 /nfs/dbraw/zinc/85/65/33/941856533.db2.gz LFYZAYQAMNFJCX-ICSRJNTNSA-N 2 0 365.606 3.904 20 0 FHADRP FC(F)(F)c1ccccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000215953310 941858487 /nfs/dbraw/zinc/85/84/87/941858487.db2.gz UIWNAEFNUJBKNK-UHFFFAOYSA-N 2 0 356.432 3.892 20 0 FHADRP CN1CCN([C@@H]2CCCC[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000377692872 941905953 /nfs/dbraw/zinc/90/59/53/941905953.db2.gz GZZPHORAADSWHG-DNVJHFABSA-N 2 0 355.570 3.599 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000415595397 941934975 /nfs/dbraw/zinc/93/49/75/941934975.db2.gz KJBCTZBVNVBSBJ-IBGZPJMESA-N 2 0 369.513 3.724 20 0 FHADRP CCn1nc(C)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000513501416 941973521 /nfs/dbraw/zinc/97/35/21/941973521.db2.gz SUJNSBIQTJXNRC-DYESRHJHSA-N 2 0 354.542 3.910 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@@H+]1Cc1ccccc1 ZINC000513502462 941974225 /nfs/dbraw/zinc/97/42/25/941974225.db2.gz ZYZYHUDIJWSVJN-HKUYNNGSSA-N 2 0 352.478 3.806 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(N(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000513510735 941982655 /nfs/dbraw/zinc/98/26/55/941982655.db2.gz FWCSFWCQHZEDIV-AEFFLSMTSA-N 2 0 358.555 3.599 20 0 FHADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537525 941994518 /nfs/dbraw/zinc/99/45/18/941994518.db2.gz AHDJFWYOJOOFLD-VFNWGFHPSA-N 2 0 372.459 3.963 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000513632929 942047114 /nfs/dbraw/zinc/04/71/14/942047114.db2.gz HXYOIFDDFMAPSB-QGZVFWFLSA-N 2 0 354.494 3.586 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCC[NH3+])Cc3ccccc3)ccc21 ZINC000415796533 942053970 /nfs/dbraw/zinc/05/39/70/942053970.db2.gz YEYQWZUUVFSNKO-OAQYLSRUSA-N 2 0 366.509 3.618 20 0 FHADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1OC(F)F ZINC000513679024 942078650 /nfs/dbraw/zinc/07/86/50/942078650.db2.gz TXCFAGLHVWACCV-XHSDSOJGSA-N 2 0 354.441 3.649 20 0 FHADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1OC(F)F ZINC000513679022 942078864 /nfs/dbraw/zinc/07/88/64/942078864.db2.gz TXCFAGLHVWACCV-OAGGEKHMSA-N 2 0 354.441 3.649 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000415906089 942132184 /nfs/dbraw/zinc/13/21/84/942132184.db2.gz WMWKDEIRZWUADZ-UHFFFAOYSA-N 2 0 358.530 3.716 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000415911888 942146363 /nfs/dbraw/zinc/14/63/63/942146363.db2.gz ZBUJDQAZWVHSBY-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000415934820 942161673 /nfs/dbraw/zinc/16/16/73/942161673.db2.gz QVDTZGDLXIBULO-UHFFFAOYSA-N 2 0 368.525 3.960 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415926948 942163959 /nfs/dbraw/zinc/16/39/59/942163959.db2.gz BZLXYIHMUIUMAK-ZWKOTPCHSA-N 2 0 366.509 3.533 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415928548 942164793 /nfs/dbraw/zinc/16/47/93/942164793.db2.gz FTRZMHFKFZDLGP-UWJYYQICSA-N 2 0 368.525 3.917 20 0 FHADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000502008366 942166357 /nfs/dbraw/zinc/16/63/57/942166357.db2.gz OEPXBWJFQBCWNL-XZOQPEGZSA-N 2 0 373.585 3.691 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000415929614 942166733 /nfs/dbraw/zinc/16/67/33/942166733.db2.gz ILBGWTYVSLHMLX-LJQANCHMSA-N 2 0 374.916 3.874 20 0 FHADRP CCN(C(=O)Nc1cccc(C[NH2+]C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415939142 942170188 /nfs/dbraw/zinc/17/01/88/942170188.db2.gz ZZNVXCBISQPRHI-NRFANRHFSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000415944057 942175123 /nfs/dbraw/zinc/17/51/23/942175123.db2.gz NRFHKETXEQNQAD-IAGOWNOFSA-N 2 0 360.546 3.674 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659878039 942183245 /nfs/dbraw/zinc/18/32/45/942183245.db2.gz YAMQWGAAKOKFEF-LJQANCHMSA-N 2 0 361.555 3.542 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000415955497 942196991 /nfs/dbraw/zinc/19/69/91/942196991.db2.gz NBWSOCOPFLOIOB-QUCCMNQESA-N 2 0 360.546 3.818 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000415962240 942201005 /nfs/dbraw/zinc/20/10/05/942201005.db2.gz WZBUBITXQQJAKQ-IBGZPJMESA-N 2 0 370.497 3.656 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000415967684 942213357 /nfs/dbraw/zinc/21/33/57/942213357.db2.gz BTHMIKKWZHUVKB-PKOBYXMFSA-N 2 0 358.530 3.524 20 0 FHADRP CCN(C(=O)Nc1ccc(C[NH2+]C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415984155 942232886 /nfs/dbraw/zinc/23/28/86/942232886.db2.gz OWPTVRJRDHFBPP-OAQYLSRUSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000415985712 942234964 /nfs/dbraw/zinc/23/49/64/942234964.db2.gz TZBMBLLVCMBEEU-NRFANRHFSA-N 2 0 368.525 3.684 20 0 FHADRP OCc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000651285454 942280141 /nfs/dbraw/zinc/28/01/41/942280141.db2.gz NVWFNLSTOFIPIE-RBZQAINGSA-N 2 0 364.533 3.754 20 0 FHADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986435 942282575 /nfs/dbraw/zinc/28/25/75/942282575.db2.gz YKEDVWQOUGDSID-OAQYLSRUSA-N 2 0 365.512 3.908 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C(C)C)nc3C)CC2)CC1 ZINC000420980412 942289094 /nfs/dbraw/zinc/28/90/94/942289094.db2.gz LMMOMRFODHTLFE-UHFFFAOYSA-N 2 0 358.574 3.505 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1)C1CCOCC1 ZINC000502272458 942324516 /nfs/dbraw/zinc/32/45/16/942324516.db2.gz HQGBDGONKABYAQ-PTUXOGIPSA-N 2 0 372.553 3.845 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000502284678 942333080 /nfs/dbraw/zinc/33/30/80/942333080.db2.gz HFPFZNMSFHBCSP-KRWDZBQOSA-N 2 0 356.510 3.795 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000584559530 942335294 /nfs/dbraw/zinc/33/52/94/942335294.db2.gz VCWDWAWRENFEFD-GSPCLOLRSA-N 2 0 355.570 3.751 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000502293281 942336019 /nfs/dbraw/zinc/33/60/19/942336019.db2.gz ZWDAAUYRAGSERC-UZLBHIALSA-N 2 0 350.547 3.899 20 0 FHADRP COCC1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000419810991 942404673 /nfs/dbraw/zinc/40/46/73/942404673.db2.gz FQPWGORSDYXULB-UHFFFAOYSA-N 2 0 359.558 3.512 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712239 942413108 /nfs/dbraw/zinc/41/31/08/942413108.db2.gz AYZXVFOIAOIAGY-XUVXKRRUSA-N 2 0 358.526 3.979 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000414823407 942444221 /nfs/dbraw/zinc/44/42/21/942444221.db2.gz DEIUFMLBBNCLAP-KRWDZBQOSA-N 2 0 350.466 3.530 20 0 FHADRP CC[N@H+](C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000505292553 942451370 /nfs/dbraw/zinc/45/13/70/942451370.db2.gz WNMAMQUGBPSDAP-JOCHJYFZSA-N 2 0 371.569 3.794 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1)C1CC1 ZINC000419908059 942452271 /nfs/dbraw/zinc/45/22/71/942452271.db2.gz HQGGRHMKXUCEPH-UHFFFAOYSA-N 2 0 357.542 3.713 20 0 FHADRP FC(F)(F)c1cc(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414825306 942452901 /nfs/dbraw/zinc/45/29/01/942452901.db2.gz HCPNAVBQGMPVKY-JTQLQIEISA-N 2 0 351.210 3.557 20 0 FHADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414828390 942469776 /nfs/dbraw/zinc/46/97/76/942469776.db2.gz ITGWXFOCVHUPNB-QGZVFWFLSA-N 2 0 366.534 3.749 20 0 FHADRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414829524 942477443 /nfs/dbraw/zinc/47/74/43/942477443.db2.gz KSRFWELOYSBRPQ-INIZCTEOSA-N 2 0 358.457 3.503 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)(N2CCCCC2)CC1 ZINC000501447830 942482741 /nfs/dbraw/zinc/48/27/41/942482741.db2.gz ACIYSQCHSHYHAV-IFMALSPDSA-N 2 0 370.585 3.648 20 0 FHADRP CCCC(C)(C)[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccs1 ZINC000549410032 942508006 /nfs/dbraw/zinc/50/80/06/942508006.db2.gz SCTOCQBVNWKQTE-UHFFFAOYSA-N 2 0 365.587 3.729 20 0 FHADRP COc1ccc(OC)c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000395804021 942536601 /nfs/dbraw/zinc/53/66/01/942536601.db2.gz CDYSBMJLDIIWJH-FPOVZHCZSA-N 2 0 366.505 3.658 20 0 FHADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)CC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000416249401 942540368 /nfs/dbraw/zinc/54/03/68/942540368.db2.gz XMILNDLCRNYEPC-QFIPXVFZSA-N 2 0 363.505 3.622 20 0 FHADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414842250 942576096 /nfs/dbraw/zinc/57/60/96/942576096.db2.gz YUUMFBGEYLFSIV-QGZVFWFLSA-N 2 0 364.468 3.768 20 0 FHADRP Clc1ccc(COC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000420296049 942598083 /nfs/dbraw/zinc/59/80/83/942598083.db2.gz CXILSZAUYMYINU-CQSZACIVSA-N 2 0 357.325 3.974 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302355 942611261 /nfs/dbraw/zinc/61/12/61/942611261.db2.gz JSNZCQMQGUPUPP-QUCCMNQESA-N 2 0 370.493 3.592 20 0 FHADRP CCC[N@H+](CC1(COc2cccc(COC)c2)CCC1)C1CC[NH2+]CC1 ZINC000420312490 942616243 /nfs/dbraw/zinc/61/62/43/942616243.db2.gz HWCSJEVPUUPOAH-UHFFFAOYSA-N 2 0 360.542 3.846 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2CN([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@@H]12 ZINC000420312555 942616352 /nfs/dbraw/zinc/61/63/52/942616352.db2.gz SLYNCNFSDCRWQX-KREFBHGWSA-N 2 0 359.473 3.761 20 0 FHADRP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420320445 942620424 /nfs/dbraw/zinc/62/04/24/942620424.db2.gz QFFLJDMXVPZOIQ-BTYIYWSLSA-N 2 0 372.534 3.712 20 0 FHADRP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334397 942632064 /nfs/dbraw/zinc/63/20/64/942632064.db2.gz GIELLBQYIAXKFH-FGZHOGPDSA-N 2 0 363.505 3.830 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378672 942645194 /nfs/dbraw/zinc/64/51/94/942645194.db2.gz UOIZSSNRBSJPGA-BBRMVZONSA-N 2 0 350.409 3.690 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378738 942646242 /nfs/dbraw/zinc/64/62/42/942646242.db2.gz UOIZSSNRBSJPGA-CZUORRHYSA-N 2 0 350.409 3.690 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420378291 942646276 /nfs/dbraw/zinc/64/62/76/942646276.db2.gz LZCCMUIPEYCLMB-JEBQAFNWSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000420381378 942647282 /nfs/dbraw/zinc/64/72/82/942647282.db2.gz OXENJHRLLGQHRZ-IAGOWNOFSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420380415 942647461 /nfs/dbraw/zinc/64/74/61/942647461.db2.gz OCMIQVXEJYCCJI-MOXGXCLJSA-N 2 0 355.482 3.621 20 0 FHADRP CC(C)(C)c1cccc(OCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420384898 942648996 /nfs/dbraw/zinc/64/89/96/942648996.db2.gz HENNXZQJNOZZGV-PZJWPPBQSA-N 2 0 360.542 3.581 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420385762 942649048 /nfs/dbraw/zinc/64/90/48/942649048.db2.gz HZVSZQFCVRJTOW-BVGQSLNGSA-N 2 0 367.331 3.728 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420388529 942650640 /nfs/dbraw/zinc/65/06/40/942650640.db2.gz LDGAXBHEJGZLRH-SIIHOXLZSA-N 2 0 367.331 3.728 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000420388158 942651141 /nfs/dbraw/zinc/65/11/41/942651141.db2.gz WWZKNZSPRAFQCX-UNMCSNQZSA-N 2 0 358.526 3.533 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000420395484 942653671 /nfs/dbraw/zinc/65/36/71/942653671.db2.gz DLJGKQZBUMPMTR-LSTHTHJFSA-N 2 0 360.885 3.511 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000420397278 942655228 /nfs/dbraw/zinc/65/52/28/942655228.db2.gz XAKGVRVPUYYEDR-YLJYHZDGSA-N 2 0 366.933 3.846 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420408393 942664246 /nfs/dbraw/zinc/66/42/46/942664246.db2.gz WGFILJUJWIFECC-PMACEKPBSA-N 2 0 360.505 3.965 20 0 FHADRP CC[NH+](CC)CCOc1ccc(-c2noc(C34CCC[NH+]3CCC4)n2)cc1 ZINC000420478512 942707868 /nfs/dbraw/zinc/70/78/68/942707868.db2.gz PTDFAWJYDCVBNZ-UHFFFAOYSA-N 2 0 370.497 3.542 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000502750788 942716202 /nfs/dbraw/zinc/71/62/02/942716202.db2.gz YBOWQJBTXFUHRT-FHWLQOOXSA-N 2 0 374.573 3.678 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405666 942732145 /nfs/dbraw/zinc/73/21/45/942732145.db2.gz SAVJAEMZWFJMJR-YGWPLHOASA-N 2 0 366.933 3.507 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000514089129 942740493 /nfs/dbraw/zinc/74/04/93/942740493.db2.gz ORYXMBWSQVIEPK-FGTMMUONSA-N 2 0 356.432 3.728 20 0 FHADRP CC[NH+](CC)CCCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000514115154 942755354 /nfs/dbraw/zinc/75/53/54/942755354.db2.gz PFWVZFKLQIBFTC-QGZVFWFLSA-N 2 0 360.477 3.787 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502852708 942796983 /nfs/dbraw/zinc/79/69/83/942796983.db2.gz KHXKDMQOHMTSGT-NRFANRHFSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000502862266 942811230 /nfs/dbraw/zinc/81/12/30/942811230.db2.gz SCMBFEYRGDKXKG-WOJBJXKFSA-N 2 0 366.594 3.595 20 0 FHADRP Cc1nccn1CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868772 942815180 /nfs/dbraw/zinc/81/51/80/942815180.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 2 0 366.553 3.960 20 0 FHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000421836004 942839486 /nfs/dbraw/zinc/83/94/86/942839486.db2.gz GFSQLEGECHHCOS-BEFAXECRSA-N 2 0 374.912 3.766 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1Cl ZINC000421818396 942846198 /nfs/dbraw/zinc/84/61/98/942846198.db2.gz AQLKLLJVSRAAJE-UWJYYQICSA-N 2 0 372.944 3.764 20 0 FHADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000514241872 942856415 /nfs/dbraw/zinc/85/64/15/942856415.db2.gz KCMFCZJKFGHCOV-CMYVBNMBSA-N 2 0 350.506 3.836 20 0 FHADRP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502921646 942857265 /nfs/dbraw/zinc/85/72/65/942857265.db2.gz WXFQIVVGQOCHPC-JOCHJYFZSA-N 2 0 369.553 3.763 20 0 FHADRP Cc1ccn2c(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cnc2c1 ZINC000513759766 942857329 /nfs/dbraw/zinc/85/73/29/942857329.db2.gz GNSWBLRSYXJGRM-UHFFFAOYSA-N 2 0 362.521 3.987 20 0 FHADRP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000503271089 943093436 /nfs/dbraw/zinc/09/34/36/943093436.db2.gz VAQGPEIFLVXZAP-HXUWFJFHSA-N 2 0 372.557 3.568 20 0 FHADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000272335565 943139371 /nfs/dbraw/zinc/13/93/71/943139371.db2.gz AUTUZSHEXPPUGI-OAQYLSRUSA-N 2 0 371.544 3.910 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662292 943144822 /nfs/dbraw/zinc/14/48/22/943144822.db2.gz QXCFIYICPCNQHK-PKOBYXMFSA-N 2 0 354.542 3.788 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272603707 943185188 /nfs/dbraw/zinc/18/51/88/943185188.db2.gz USEOZLLBDLPBNC-AWEZNQCLSA-N 2 0 371.447 3.744 20 0 FHADRP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422696103 943235355 /nfs/dbraw/zinc/23/53/55/943235355.db2.gz QSIUNCUZLBANSK-WMZOPIPTSA-N 2 0 355.482 3.880 20 0 FHADRP COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712930 943244965 /nfs/dbraw/zinc/24/49/65/943244965.db2.gz IYQRRXUJALTBEB-CABCVRRESA-N 2 0 359.539 3.999 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422690787 943245798 /nfs/dbraw/zinc/24/57/98/943245798.db2.gz GWRVWJOIEQFWKC-ZWKOTPCHSA-N 2 0 355.482 3.880 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000422694014 943247507 /nfs/dbraw/zinc/24/75/07/943247507.db2.gz NEHMTXBRMYRYCM-WMZOPIPTSA-N 2 0 355.482 3.750 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)c1ccco1 ZINC000422716157 943255257 /nfs/dbraw/zinc/25/52/57/943255257.db2.gz MZEQYSYVNUZWIV-GUDVDZBRSA-N 2 0 353.466 3.542 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000422738944 943265481 /nfs/dbraw/zinc/26/54/81/943265481.db2.gz KNFSUZFQVYTWSP-WBMJQRKESA-N 2 0 351.491 3.662 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000416982944 943266458 /nfs/dbraw/zinc/26/64/58/943266458.db2.gz WPFDQINWMFAVAV-NQIIRXRSSA-N 2 0 374.573 3.576 20 0 FHADRP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753780 943272745 /nfs/dbraw/zinc/27/27/45/943272745.db2.gz DEVAYKQWFLASBL-TUNNFDKTSA-N 2 0 352.478 3.992 20 0 FHADRP c1cn(CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000422753799 943272778 /nfs/dbraw/zinc/27/27/78/943272778.db2.gz GKLXHNXEQCUGHK-REWPJTCUSA-N 2 0 361.489 3.877 20 0 FHADRP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422755019 943273181 /nfs/dbraw/zinc/27/31/81/943273181.db2.gz HOYNKEHFPAWNKU-CRAIPNDOSA-N 2 0 370.459 3.874 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422757126 943273916 /nfs/dbraw/zinc/27/39/16/943273916.db2.gz IDYDLCFGJSNIER-VDHUWJSZSA-N 2 0 355.448 3.558 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755477 943273957 /nfs/dbraw/zinc/27/39/57/943273957.db2.gz HYVXVFVGZOFTEB-JGQIHZOTSA-N 2 0 371.569 3.588 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754886 943274004 /nfs/dbraw/zinc/27/40/04/943274004.db2.gz GGTODWGUWMMZIE-STQMWFEESA-N 2 0 373.324 3.965 20 0 FHADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OCC ZINC000422767980 943275228 /nfs/dbraw/zinc/27/52/28/943275228.db2.gz SUXKYNZOKJWBJE-XUVXKRRUSA-N 2 0 360.542 3.927 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCOCC2)c1 ZINC000422769556 943275935 /nfs/dbraw/zinc/27/59/35/943275935.db2.gz VGNFVQFQVYOIJJ-HSALFYBXSA-N 2 0 362.945 3.899 20 0 FHADRP CCOc1ccc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OCC ZINC000422768493 943276065 /nfs/dbraw/zinc/27/60/65/943276065.db2.gz TVPBEVXTUAXPRT-OAHLLOKOSA-N 2 0 357.498 3.539 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422771041 943277024 /nfs/dbraw/zinc/27/70/24/943277024.db2.gz XKTAQUIBABYEER-PWRODBHTSA-N 2 0 360.517 3.774 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773401 943278122 /nfs/dbraw/zinc/27/81/22/943278122.db2.gz ZTVVBPFSXCYGLS-CRAIPNDOSA-N 2 0 370.459 3.731 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422773408 943278241 /nfs/dbraw/zinc/27/82/41/943278241.db2.gz ZTVVBPFSXCYGLS-MAUKXSAKSA-N 2 0 370.459 3.731 20 0 FHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422783327 943281458 /nfs/dbraw/zinc/28/14/58/943281458.db2.gz HGNLUVANULOJGG-JUXOCIIHSA-N 2 0 352.478 3.608 20 0 FHADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422784807 943281825 /nfs/dbraw/zinc/28/18/25/943281825.db2.gz MHZFAVJUSXOTMM-QHAWAJNXSA-N 2 0 361.961 3.815 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCCO2)cc1 ZINC000422783193 943281843 /nfs/dbraw/zinc/28/18/43/943281843.db2.gz MVMOHNMXKGNGEE-YPIGPJMWSA-N 2 0 364.489 3.752 20 0 FHADRP FC(F)Oc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789140 943283216 /nfs/dbraw/zinc/28/32/16/943283216.db2.gz BAZBQFBVXFKODW-JXFKEZNVSA-N 2 0 360.404 3.634 20 0 FHADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789142 943283305 /nfs/dbraw/zinc/28/33/05/943283305.db2.gz BAZBQFBVXFKODW-OXQOHEQNSA-N 2 0 360.404 3.634 20 0 FHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422763309 943284880 /nfs/dbraw/zinc/28/48/80/943284880.db2.gz NFGYVQLIQQJXBR-XLIONFOSSA-N 2 0 360.404 3.634 20 0 FHADRP C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCCCC1)C1C[NH2+]C1 ZINC000422794292 943285598 /nfs/dbraw/zinc/28/55/98/943285598.db2.gz UBMBNLKWKSWNQG-CQSZACIVSA-N 2 0 351.332 3.849 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422795245 943285800 /nfs/dbraw/zinc/28/58/00/943285800.db2.gz ZXZZXDWGPYSPQZ-AWEZNQCLSA-N 2 0 352.507 3.866 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000422797894 943287951 /nfs/dbraw/zinc/28/79/51/943287951.db2.gz OXVXTSPELZOLJL-VMRPVKRXSA-N 2 0 372.896 3.953 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422791593 943293926 /nfs/dbraw/zinc/29/39/26/943293926.db2.gz QJAAGDUNNJJFQB-KSEOMHKRSA-N 2 0 352.526 3.559 20 0 FHADRP Cc1cccc2c(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c21 ZINC000422791272 943294026 /nfs/dbraw/zinc/29/40/26/943294026.db2.gz VVGNDGXRRRZEQF-OFNKIYASSA-N 2 0 361.489 3.864 20 0 FHADRP Cc1cccc2c(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c21 ZINC000422791270 943294226 /nfs/dbraw/zinc/29/42/26/943294226.db2.gz VVGNDGXRRRZEQF-NZQKXSOJSA-N 2 0 361.489 3.864 20 0 FHADRP c1ccc(Oc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422792447 943294895 /nfs/dbraw/zinc/29/48/95/943294895.db2.gz ZHGRBJOBIXQUML-NJDAHSKKSA-N 2 0 352.478 3.726 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422829304 943297373 /nfs/dbraw/zinc/29/73/73/943297373.db2.gz BRKGSBJHJYESLA-FBBABVLZSA-N 2 0 357.567 3.508 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000422828500 943298090 /nfs/dbraw/zinc/29/80/90/943298090.db2.gz BELXCNCEGXWLCR-DOTOQJQBSA-N 2 0 350.503 3.503 20 0 FHADRP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696291 943300345 /nfs/dbraw/zinc/30/03/45/943300345.db2.gz HDVXNAQLYKIQBC-RTBURBONSA-N 2 0 365.521 3.544 20 0 FHADRP CC[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422817421 943303603 /nfs/dbraw/zinc/30/36/03/943303603.db2.gz HQCKARNHJSDWIJ-GTCCEBARSA-N 2 0 370.468 3.829 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422857057 943307505 /nfs/dbraw/zinc/30/75/05/943307505.db2.gz GODXGLSZFBDWMM-GDBMZVCRSA-N 2 0 351.922 3.877 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422860635 943309583 /nfs/dbraw/zinc/30/95/83/943309583.db2.gz ILYQJGXVRQWCIT-GVDBMIGSSA-N 2 0 356.432 3.946 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877244 943313439 /nfs/dbraw/zinc/31/34/39/943313439.db2.gz HMEDQUYWKIPEHG-SUMWQHHRSA-N 2 0 357.325 3.759 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883719 943316936 /nfs/dbraw/zinc/31/69/36/943316936.db2.gz VKUPPWLIDREZTA-FGZHOGPDSA-N 2 0 366.505 3.868 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422884675 943317470 /nfs/dbraw/zinc/31/74/70/943317470.db2.gz SOMVCOQXULSBBK-GUXCAODWSA-N 2 0 358.530 3.932 20 0 FHADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422891816 943322882 /nfs/dbraw/zinc/32/28/82/943322882.db2.gz LNJINRPZBMIYTE-PWRODBHTSA-N 2 0 356.558 3.862 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422901303 943324586 /nfs/dbraw/zinc/32/45/86/943324586.db2.gz RWMATJKTZYUFGI-XXBNENTESA-N 2 0 351.538 3.508 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422902192 943325054 /nfs/dbraw/zinc/32/50/54/943325054.db2.gz TZKNXWNCUWYCQF-YTFSRNRJSA-N 2 0 355.570 3.860 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000414702361 943325914 /nfs/dbraw/zinc/32/59/14/943325914.db2.gz BBHSNZGCYDGELT-IEBWSBKVSA-N 2 0 370.541 3.524 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422904570 943326494 /nfs/dbraw/zinc/32/64/94/943326494.db2.gz XOLUXJIXXYHWKZ-IHPCNDPISA-N 2 0 358.526 3.624 20 0 FHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909487 943328199 /nfs/dbraw/zinc/32/81/99/943328199.db2.gz OESLTMOPWKHWBD-KKLQWCBXSA-N 2 0 371.569 3.733 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000422917316 943329569 /nfs/dbraw/zinc/32/95/69/943329569.db2.gz FXIPVDXNUORXEK-OXQOHEQNSA-N 2 0 362.901 3.782 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000422937022 943337477 /nfs/dbraw/zinc/33/74/77/943337477.db2.gz IZAIREYQRQAUSX-SBUREZEXSA-N 2 0 366.553 3.582 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422939163 943338588 /nfs/dbraw/zinc/33/85/88/943338588.db2.gz HVOULLKIWYBTDQ-KSSFIOAISA-N 2 0 352.400 3.632 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422939909 943339226 /nfs/dbraw/zinc/33/92/26/943339226.db2.gz GJWOXOYMCKBLCA-REWPJTCUSA-N 2 0 366.505 3.818 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000422939424 943339249 /nfs/dbraw/zinc/33/92/49/943339249.db2.gz RLZJIFUUTNCSGM-KPZWWZAWSA-N 2 0 360.299 3.949 20 0 FHADRP c1ccc(OCc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422942823 943340820 /nfs/dbraw/zinc/34/08/20/943340820.db2.gz QGIDQCIUYUIECA-DNVJHFABSA-N 2 0 366.505 3.512 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422918806 943341626 /nfs/dbraw/zinc/34/16/26/943341626.db2.gz IXFABADBTFBXGU-BRKWEVRTSA-N 2 0 357.542 3.630 20 0 FHADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949514 943346205 /nfs/dbraw/zinc/34/62/05/943346205.db2.gz VKJWGKRYBXNZFU-MIZPHKNDSA-N 2 0 364.489 3.918 20 0 FHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCCO2 ZINC000422950087 943346706 /nfs/dbraw/zinc/34/67/06/943346706.db2.gz VERJDRBEKPWNFT-KNKQGSTJSA-N 2 0 368.452 3.885 20 0 FHADRP FC(F)Oc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422949830 943346736 /nfs/dbraw/zinc/34/67/36/943346736.db2.gz WSTQKDWWIYXOGF-XLIONFOSSA-N 2 0 360.404 3.634 20 0 FHADRP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000514867076 943348579 /nfs/dbraw/zinc/34/85/79/943348579.db2.gz IOFMGDCJPMGBKP-FQEVSTJZSA-N 2 0 352.478 3.687 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422958382 943349217 /nfs/dbraw/zinc/34/92/17/943349217.db2.gz XMXHPABUVWZNEG-BBWFWOEESA-N 2 0 368.525 3.631 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000422958102 943349389 /nfs/dbraw/zinc/34/93/89/943349389.db2.gz OOQUNBJSKHZFDA-KZULUSFZSA-N 2 0 360.299 3.949 20 0 FHADRP Fc1ccc(CC2(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422989477 943351888 /nfs/dbraw/zinc/35/18/88/943351888.db2.gz LWYYOLLMGGRYQH-OFNKIYASSA-N 2 0 366.480 3.994 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872431 943352079 /nfs/dbraw/zinc/35/20/79/943352079.db2.gz ZYMWTSJFTZDQCM-CTNGQTDRSA-N 2 0 371.569 3.517 20 0 FHADRP Fc1ccc(CC2(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422989478 943352281 /nfs/dbraw/zinc/35/22/81/943352281.db2.gz LWYYOLLMGGRYQH-REWPJTCUSA-N 2 0 366.480 3.994 20 0 FHADRP CCCOc1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422995056 943353113 /nfs/dbraw/zinc/35/31/13/943353113.db2.gz WXBWTCUABDJERA-GMAHTHKFSA-N 2 0 366.505 3.863 20 0 FHADRP CCN(CC)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973356 943355178 /nfs/dbraw/zinc/35/51/78/943355178.db2.gz ODNDUMBGBFUGQW-NNMXDRDESA-N 2 0 369.509 3.508 20 0 FHADRP C[C@@H]1CN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000435374340 943355917 /nfs/dbraw/zinc/35/59/17/943355917.db2.gz QKUBDHFYRVWUAF-AUUYWEPGSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435377581 943358027 /nfs/dbraw/zinc/35/80/27/943358027.db2.gz DCVXQGOCQXEPGS-PBHICJAKSA-N 2 0 357.885 3.761 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)c2)CC1 ZINC000584670892 943359064 /nfs/dbraw/zinc/35/90/64/943359064.db2.gz WUKUGOICKLDSLR-BHDDXSALSA-N 2 0 356.558 3.502 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423002858 943361464 /nfs/dbraw/zinc/36/14/64/943361464.db2.gz KBDPTAQRPYLUJO-ZDUSSCGKSA-N 2 0 367.415 3.778 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423009763 943363733 /nfs/dbraw/zinc/36/37/33/943363733.db2.gz DTWFNFWZKUAVMJ-VHKYSDTDSA-N 2 0 358.917 3.598 20 0 FHADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000514888950 943364318 /nfs/dbraw/zinc/36/43/18/943364318.db2.gz XMZPDQXQMYGLEF-SSZFMOIBSA-N 2 0 369.475 3.724 20 0 FHADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1OCc1cccs1 ZINC000435370852 943364799 /nfs/dbraw/zinc/36/47/99/943364799.db2.gz QXFBSAXSHQPNPR-OAHLLOKOSA-N 2 0 360.523 3.895 20 0 FHADRP CC[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022466 943367140 /nfs/dbraw/zinc/36/71/40/943367140.db2.gz HSEPYYAAERTELD-QZHFEQFPSA-N 2 0 353.913 3.592 20 0 FHADRP CC[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022465 943367248 /nfs/dbraw/zinc/36/72/48/943367248.db2.gz HSEPYYAAERTELD-GRGSLBFTSA-N 2 0 353.913 3.592 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022514 943367413 /nfs/dbraw/zinc/36/74/13/943367413.db2.gz HYJNUSGNQZVXIW-HIFRSBDPSA-N 2 0 362.880 3.571 20 0 FHADRP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423047871 943368497 /nfs/dbraw/zinc/36/84/97/943368497.db2.gz HJHGWFUYHVRLNA-ZQIUZPCESA-N 2 0 357.336 3.502 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423023664 943369837 /nfs/dbraw/zinc/36/98/37/943369837.db2.gz HZKVXWAFWPYLAS-IUCAKERBSA-N 2 0 370.118 3.850 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381304 943369612 /nfs/dbraw/zinc/36/96/12/943369612.db2.gz WANPPBVHMPHMRU-FUHWJXTLSA-N 2 0 366.534 3.829 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423022939 943369770 /nfs/dbraw/zinc/36/97/70/943369770.db2.gz IRVJFHRTCKLDNS-JTQLQIEISA-N 2 0 369.225 3.564 20 0 FHADRP COc1ccc([C@@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423025776 943370295 /nfs/dbraw/zinc/37/02/95/943370295.db2.gz MKXATIDCZOHBJP-FGZHOGPDSA-N 2 0 353.510 3.970 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000435384848 943371639 /nfs/dbraw/zinc/37/16/39/943371639.db2.gz OCHOAKFQVWHXMG-UHFFFAOYSA-N 2 0 360.523 3.767 20 0 FHADRP C[C@@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423032405 943372070 /nfs/dbraw/zinc/37/20/70/943372070.db2.gz MMHDHADIWZYJLI-ACJLOTCBSA-N 2 0 356.341 3.688 20 0 FHADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000423033672 943372693 /nfs/dbraw/zinc/37/26/93/943372693.db2.gz OWGWMTRFRSJBQN-GBESFXJTSA-N 2 0 372.488 3.709 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036957 943372984 /nfs/dbraw/zinc/37/29/84/943372984.db2.gz AYIYOAOXBJVPPP-NBQZKYEYSA-N 2 0 361.892 3.606 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423036961 943373138 /nfs/dbraw/zinc/37/31/38/943373138.db2.gz AYIYOAOXBJVPPP-UVFQYZLESA-N 2 0 361.892 3.606 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036311 943373269 /nfs/dbraw/zinc/37/32/69/943373269.db2.gz TWDIMPGRMSCUJO-KSSFIOAISA-N 2 0 356.341 3.675 20 0 FHADRP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387359 943374175 /nfs/dbraw/zinc/37/41/75/943374175.db2.gz ZWIVIXUBVPNAKJ-ICSRJNTNSA-N 2 0 353.510 3.837 20 0 FHADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423057027 943377142 /nfs/dbraw/zinc/37/71/42/943377142.db2.gz GNZQWSQTZBEGHV-NZQKXSOJSA-N 2 0 365.521 3.877 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414714534 943377317 /nfs/dbraw/zinc/37/73/17/943377317.db2.gz QBMCWSAXRDLSLA-KRWDZBQOSA-N 2 0 358.530 3.572 20 0 FHADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423057811 943377669 /nfs/dbraw/zinc/37/76/69/943377669.db2.gz AWLALGXKMZSAMO-BURFUSLBSA-N 2 0 367.459 3.794 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062581 943379433 /nfs/dbraw/zinc/37/94/33/943379433.db2.gz NFGYHJVFLSMUAJ-PWIZWCRZSA-N 2 0 364.480 3.523 20 0 FHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423071841 943381807 /nfs/dbraw/zinc/38/18/07/943381807.db2.gz PBJJLEKOZIRMIP-WOIUINJBSA-N 2 0 350.462 3.664 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000503853454 943385615 /nfs/dbraw/zinc/38/56/15/943385615.db2.gz DBPZHKHPVRNNMO-ZTFGCOKTSA-N 2 0 356.457 3.828 20 0 FHADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423079066 943386459 /nfs/dbraw/zinc/38/64/59/943386459.db2.gz PWFMPCFUKZVYNW-URHOCTSQSA-N 2 0 364.489 3.610 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084193 943388163 /nfs/dbraw/zinc/38/81/63/943388163.db2.gz HPDAYGAOGHEUNE-XEZPLFJOSA-N 2 0 357.325 3.757 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088925 943390703 /nfs/dbraw/zinc/39/07/03/943390703.db2.gz RHKJVMHKHHAANZ-NIKGAXFTSA-N 2 0 372.310 3.762 20 0 FHADRP [NH3+][C@H]1C[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc21 ZINC000423091464 943391414 /nfs/dbraw/zinc/39/14/14/943391414.db2.gz ZZCKTXYMKPOYKE-JOCCRWCTSA-N 2 0 353.432 3.526 20 0 FHADRP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423122395 943397842 /nfs/dbraw/zinc/39/78/42/943397842.db2.gz KOEJLENSRZUFLK-SVFBPWRDSA-N 2 0 372.896 3.873 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122961 943398008 /nfs/dbraw/zinc/39/80/08/943398008.db2.gz KJZJKJPOYHKSQU-GPJHCHHRSA-N 2 0 373.585 3.977 20 0 FHADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124787 943398630 /nfs/dbraw/zinc/39/86/30/943398630.db2.gz PCXCFSNLICQGFX-ZVXPMLRVSA-N 2 0 364.489 3.752 20 0 FHADRP COc1cccc(C2(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000423127440 943399189 /nfs/dbraw/zinc/39/91/89/943399189.db2.gz TVYMELBGSNWCGB-NZQKXSOJSA-N 2 0 364.489 3.572 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423103665 943401267 /nfs/dbraw/zinc/40/12/67/943401267.db2.gz XTUYDENITAJGLK-KGLIPLIRSA-N 2 0 374.310 3.719 20 0 FHADRP c1cc(C[N@H+](Cc2ccc3c[nH]nc3c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435426643 943405837 /nfs/dbraw/zinc/40/58/37/943405837.db2.gz JHGBJTPXMQOWDC-IBGZPJMESA-N 2 0 352.507 3.769 20 0 FHADRP CCn1ccnc1CN(C/C=C/c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428350 943407181 /nfs/dbraw/zinc/40/71/81/943407181.db2.gz RWFPQVNHFBVZIX-ZGBFETHSSA-N 2 0 350.510 3.561 20 0 FHADRP c1ccc2c(c1)SC[C@H]2C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423147623 943407308 /nfs/dbraw/zinc/40/73/08/943407308.db2.gz SJOFUKBCXFHQBF-FYINFDKHSA-N 2 0 352.503 3.721 20 0 FHADRP COc1ccc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000435428379 943407498 /nfs/dbraw/zinc/40/74/98/943407498.db2.gz QLPJOSVWTCQNJD-HNNXBMFYSA-N 2 0 365.930 3.725 20 0 FHADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423146815 943407987 /nfs/dbraw/zinc/40/79/87/943407987.db2.gz BCDMMHBFEGBTDH-IJXRJRJASA-N 2 0 350.934 3.970 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155719 943412179 /nfs/dbraw/zinc/41/21/79/943412179.db2.gz LNMQHTLCDXWJOZ-HKUYNNGSSA-N 2 0 369.534 3.924 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423138505 943416113 /nfs/dbraw/zinc/41/61/13/943416113.db2.gz TUDJUQNWSRQAIO-GUDVDZBRSA-N 2 0 360.571 3.564 20 0 FHADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c(C)c1 ZINC000423137794 943416309 /nfs/dbraw/zinc/41/63/09/943416309.db2.gz ROEMIDVHGIPCPG-CEMLEFRQSA-N 2 0 356.554 3.862 20 0 FHADRP COCCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215054 943445841 /nfs/dbraw/zinc/44/58/41/943445841.db2.gz QCDQUUYACSULTI-PBHICJAKSA-N 2 0 355.320 3.506 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220054 943448459 /nfs/dbraw/zinc/44/84/59/943448459.db2.gz XVEHUGCOCDDUDY-SJKOYZFVSA-N 2 0 362.315 3.897 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc1 ZINC000423291601 943465492 /nfs/dbraw/zinc/46/54/92/943465492.db2.gz IXUVSMJGNSIWDS-KGLIPLIRSA-N 2 0 355.873 3.791 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000423293130 943466169 /nfs/dbraw/zinc/46/61/69/943466169.db2.gz PWAHKSCHWDUSCD-MNOVXSKESA-N 2 0 352.251 3.854 20 0 FHADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]C[C@@H]([NH3+])C2CC2)nc1 ZINC000423315924 943473258 /nfs/dbraw/zinc/47/32/58/943473258.db2.gz JHJYAWSJWITLHF-LEWJYISDSA-N 2 0 357.929 3.778 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423292791 943475192 /nfs/dbraw/zinc/47/51/92/943475192.db2.gz OKZWJGOSETTXSV-YOEHRIQHSA-N 2 0 356.466 3.952 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)CCC2 ZINC000423292790 943475426 /nfs/dbraw/zinc/47/54/26/943475426.db2.gz OKZWJGOSETTXSV-WMLDXEAASA-N 2 0 356.466 3.952 20 0 FHADRP Fc1ccc([C@@H](Cc2ccccc2Br)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303653 943476683 /nfs/dbraw/zinc/47/66/83/943476683.db2.gz MGIGHHANXFZFEB-GOSISDBHSA-N 2 0 363.274 3.681 20 0 FHADRP Clc1ccccc1[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000423343914 943478148 /nfs/dbraw/zinc/47/81/48/943478148.db2.gz MHQCUOQAMJDMTK-NRFANRHFSA-N 2 0 370.880 3.710 20 0 FHADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423345929 943478531 /nfs/dbraw/zinc/47/85/31/943478531.db2.gz OPQWZFARGDKFOD-SNVBAGLBSA-N 2 0 374.120 3.782 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2ccccc2N(C)C)cc1 ZINC000423346048 943478679 /nfs/dbraw/zinc/47/86/79/943478679.db2.gz YHPHUVHSOGBWBJ-NDXORKPFSA-N 2 0 353.510 3.558 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423323614 943480072 /nfs/dbraw/zinc/48/00/72/943480072.db2.gz IGFOMUILMDWZKT-WSTZPKSXSA-N 2 0 359.558 3.587 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000515063755 943482498 /nfs/dbraw/zinc/48/24/98/943482498.db2.gz ZJJQNGJUMVSYEZ-VQTJNVASSA-N 2 0 360.505 3.823 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066348 943484318 /nfs/dbraw/zinc/48/43/18/943484318.db2.gz OXSICUYSHQHPRE-MZYLBHOOSA-N 2 0 355.570 3.847 20 0 FHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000423373614 943485762 /nfs/dbraw/zinc/48/57/62/943485762.db2.gz HSZVCNWAMBMSTQ-SFTDATJTSA-N 2 0 350.462 3.561 20 0 FHADRP COCCC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423357889 943490553 /nfs/dbraw/zinc/49/05/53/943490553.db2.gz IVARJNZVTWCHIA-IAGOWNOFSA-N 2 0 355.320 3.649 20 0 FHADRP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423371608 943494588 /nfs/dbraw/zinc/49/45/88/943494588.db2.gz HQQSGIXEZLXQMJ-CYGHRXIMSA-N 2 0 350.478 3.565 20 0 FHADRP C[C@@H](C[NH3+])N[C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423383881 943497663 /nfs/dbraw/zinc/49/76/63/943497663.db2.gz FOKRNTABQJHDDW-ISVAXAHUSA-N 2 0 362.109 3.526 20 0 FHADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423387797 943498429 /nfs/dbraw/zinc/49/84/29/943498429.db2.gz KATQLLJFNDLPSP-MRXNPFEDSA-N 2 0 355.320 3.506 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)CCC3)cc1 ZINC000423388855 943498836 /nfs/dbraw/zinc/49/88/36/943498836.db2.gz JDJOSEMYCJSUOP-RRQGHBQHSA-N 2 0 357.523 3.784 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000423390218 943499458 /nfs/dbraw/zinc/49/94/58/943499458.db2.gz JWGQOODHAOCYLV-COXVUDFISA-N 2 0 355.320 3.504 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@H]3CCC[C@@H]32)cc1 ZINC000423391078 943500048 /nfs/dbraw/zinc/50/00/48/943500048.db2.gz PFOUHZZVTNLTMU-SGNDLWITSA-N 2 0 361.533 3.823 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423425740 943506462 /nfs/dbraw/zinc/50/64/62/943506462.db2.gz HALLKPVROOJLEW-NUEKZKHPSA-N 2 0 353.279 3.553 20 0 FHADRP CC(C)(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423434267 943518096 /nfs/dbraw/zinc/51/80/96/943518096.db2.gz KISAXXQMCUHNTK-FQEVSTJZSA-N 2 0 357.542 3.626 20 0 FHADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146468 943523490 /nfs/dbraw/zinc/52/34/90/943523490.db2.gz SEXDDLSVXXIMHD-DRSNIGMVSA-N 2 0 351.494 3.658 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)COC2 ZINC000423470538 943524114 /nfs/dbraw/zinc/52/41/14/943524114.db2.gz LFPUMNPANKVEOQ-UPKQVVFYSA-N 2 0 354.469 3.900 20 0 FHADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473728 943525482 /nfs/dbraw/zinc/52/54/82/943525482.db2.gz NVUUIEVAKKKXGF-PIPMEXSNSA-N 2 0 355.501 3.915 20 0 FHADRP COc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000423472187 943525854 /nfs/dbraw/zinc/52/58/54/943525854.db2.gz MXXXFTKOZPJUJV-LDBYXDLTSA-N 2 0 372.484 3.887 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000423476115 943526337 /nfs/dbraw/zinc/52/63/37/943526337.db2.gz QNGKDPUWMMCFST-UCLAIMLFSA-N 2 0 356.441 3.598 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423480069 943527464 /nfs/dbraw/zinc/52/74/64/943527464.db2.gz MSGFPYMPUDRJPO-HOCLYGCPSA-N 2 0 353.304 3.785 20 0 FHADRP c1ccc(CCOCCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435630650 943529003 /nfs/dbraw/zinc/52/90/03/943529003.db2.gz YCPWWHXHPXKJKZ-HSZRJFAPSA-N 2 0 367.537 3.675 20 0 FHADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482501 943528999 /nfs/dbraw/zinc/52/89/99/943528999.db2.gz XWOXEMUZJOJLGV-JYAXBFRTSA-N 2 0 370.516 3.568 20 0 FHADRP Cc1c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508489 943532497 /nfs/dbraw/zinc/53/24/97/943532497.db2.gz QWNJAIJUNIVSAK-QRWLVFNGSA-N 2 0 367.472 3.846 20 0 FHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423486668 943533758 /nfs/dbraw/zinc/53/37/58/943533758.db2.gz BUZHSSGFEYQAIH-OKZBNKHCSA-N 2 0 356.432 3.700 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423495257 943537600 /nfs/dbraw/zinc/53/76/00/943537600.db2.gz UFPSGSPBPHJTRJ-XKQJLSEDSA-N 2 0 355.320 3.634 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1nccc2ccccc21 ZINC000423528454 943537832 /nfs/dbraw/zinc/53/78/32/943537832.db2.gz OFSUIOWLOXDRPF-LJQANCHMSA-N 2 0 374.532 3.879 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535836 943538411 /nfs/dbraw/zinc/53/84/11/943538411.db2.gz FOCPEMLXENIPFG-MRXNPFEDSA-N 2 0 351.288 3.562 20 0 FHADRP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535865 943540055 /nfs/dbraw/zinc/54/00/55/943540055.db2.gz FSOQGRFWAYCYDO-INIZCTEOSA-N 2 0 355.707 3.989 20 0 FHADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000423513576 943542123 /nfs/dbraw/zinc/54/21/23/943542123.db2.gz VIXWZXHBEDRZDX-XMSQKQJNSA-N 2 0 353.510 3.654 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423517232 943543328 /nfs/dbraw/zinc/54/33/28/943543328.db2.gz BHXSBKOVBULHIE-WCIFCTNGSA-N 2 0 372.553 3.686 20 0 FHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423516617 943543541 /nfs/dbraw/zinc/54/35/41/943543541.db2.gz AVULKJJPRQGJSP-MVVFMWOOSA-N 2 0 359.602 3.773 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000423519839 943543951 /nfs/dbraw/zinc/54/39/51/943543951.db2.gz QPZKFHGAHZKFGT-NWLLBJEDSA-N 2 0 364.537 3.616 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc12 ZINC000423519571 943544138 /nfs/dbraw/zinc/54/41/38/943544138.db2.gz QATRWUWUMVEVDF-VIQWUECVSA-N 2 0 367.537 3.715 20 0 FHADRP Cc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423520581 943544793 /nfs/dbraw/zinc/54/47/93/943544793.db2.gz RNGMDUVUERIGHL-KXTRFFEISA-N 2 0 363.549 3.890 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417364829 943546010 /nfs/dbraw/zinc/54/60/10/943546010.db2.gz MHYONJPXIZCCNO-NRFANRHFSA-N 2 0 374.573 3.577 20 0 FHADRP c1csc(CN(CCSc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435687049 943546826 /nfs/dbraw/zinc/54/68/26/943546826.db2.gz BYYJLKUARUGILM-KRWDZBQOSA-N 2 0 359.564 3.880 20 0 FHADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423527402 943547477 /nfs/dbraw/zinc/54/74/77/943547477.db2.gz MJDIXCXASDNCRM-KRWDZBQOSA-N 2 0 364.493 3.706 20 0 FHADRP CC(C)C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423561040 943549723 /nfs/dbraw/zinc/54/97/23/943549723.db2.gz JWVTUAQVTJCPAN-JOCHJYFZSA-N 2 0 366.553 3.752 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000423551893 943554841 /nfs/dbraw/zinc/55/48/41/943554841.db2.gz URHQQSSVQCWAIC-KLZCAUPSSA-N 2 0 367.356 3.964 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C(C)(C)c1ccccc1 ZINC000423574381 943561038 /nfs/dbraw/zinc/56/10/38/943561038.db2.gz PKAOURAPZGFXKK-FQEVSTJZSA-N 2 0 365.565 3.936 20 0 FHADRP NC1(C[NH2+][C@H]2CCSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423577727 943561706 /nfs/dbraw/zinc/56/17/06/943561706.db2.gz SOZLCWKKTMTTRG-FQEVSTJZSA-N 2 0 367.562 3.807 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423729284 943606067 /nfs/dbraw/zinc/60/60/67/943606067.db2.gz NSCNCAVKCFMEFL-KVPLUYHFSA-N 2 0 357.542 3.576 20 0 FHADRP [NH3+]C1(CNC(=O)c2ccc3ccccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000424035767 943698437 /nfs/dbraw/zinc/69/84/37/943698437.db2.gz GEFMRIQRAATOBQ-UHFFFAOYSA-N 2 0 373.500 3.563 20 0 FHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](CC)c1ccccc1 ZINC000511636504 943706285 /nfs/dbraw/zinc/70/62/85/943706285.db2.gz WVAHXPFFHJQQSX-OAQYLSRUSA-N 2 0 359.558 3.839 20 0 FHADRP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000584839579 943737965 /nfs/dbraw/zinc/73/79/65/943737965.db2.gz RCWBKOCHDGVUAY-HRCADAONSA-N 2 0 372.431 3.586 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000312555244 943789722 /nfs/dbraw/zinc/78/97/22/943789722.db2.gz XROKWBXKIUQTKH-CVDCTZTESA-N 2 0 365.521 3.906 20 0 FHADRP Fc1ccc(/C=C/C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1F ZINC000516894222 943810509 /nfs/dbraw/zinc/81/05/09/943810509.db2.gz UMQKDBOMXDYYGI-DUXPYHPUSA-N 2 0 364.480 3.802 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288078 943820394 /nfs/dbraw/zinc/82/03/94/943820394.db2.gz KBPGHSXLXBZOEO-CQSZACIVSA-N 2 0 358.507 3.652 20 0 FHADRP c1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000261929109 943820913 /nfs/dbraw/zinc/82/09/13/943820913.db2.gz COBQBEQSDSPNOG-UHFFFAOYSA-N 2 0 373.504 3.510 20 0 FHADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000584869024 943821964 /nfs/dbraw/zinc/82/19/64/943821964.db2.gz RXCCSBUKWNIQEM-TZIWHRDSSA-N 2 0 367.537 3.913 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC000424298116 943826341 /nfs/dbraw/zinc/82/63/41/943826341.db2.gz TXXIJYBTWTVVHJ-GOSISDBHSA-N 2 0 363.505 3.756 20 0 FHADRP CCN(C(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424298937 943826934 /nfs/dbraw/zinc/82/69/34/943826934.db2.gz URSKWJKOXITWEG-SFHVURJKSA-N 2 0 365.521 3.657 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000417695281 943833906 /nfs/dbraw/zinc/83/39/06/943833906.db2.gz AUTRGRVGQFRQCG-IAGOWNOFSA-N 2 0 368.525 3.635 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417706228 943842368 /nfs/dbraw/zinc/84/23/68/943842368.db2.gz OSKVIQUUPWUBSY-OALUTQOASA-N 2 0 374.573 3.666 20 0 FHADRP C[N@@H+](Cc1ccc(-c2ccccn2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425415716 943850281 /nfs/dbraw/zinc/85/02/81/943850281.db2.gz FPMGYEIJTVYOLE-UHFFFAOYSA-N 2 0 373.504 3.887 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368895 943881986 /nfs/dbraw/zinc/88/19/86/943881986.db2.gz AQKOZCKXSQFQHN-SFHVURJKSA-N 2 0 352.526 3.960 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(OCc3ccccn3)c1)CC[NH2+]CC2 ZINC000424378818 943888021 /nfs/dbraw/zinc/88/80/21/943888021.db2.gz NWZRAPHLWOZZFL-SFHVURJKSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424388024 943895557 /nfs/dbraw/zinc/89/55/57/943895557.db2.gz YYERSURODYXDBA-ZDUSSCGKSA-N 2 0 360.395 3.731 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414786155 943905811 /nfs/dbraw/zinc/90/58/11/943905811.db2.gz UEPDFOZYRBBYOB-VQTJNVASSA-N 2 0 350.510 3.671 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)CCO2 ZINC000162506959 943928303 /nfs/dbraw/zinc/92/83/03/943928303.db2.gz CCIVMVCAXAXXGT-NRFANRHFSA-N 2 0 354.494 3.803 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCSc2ccc(F)cc2F)[C@@H](C)C1 ZINC000660305043 943932641 /nfs/dbraw/zinc/93/26/41/943932641.db2.gz JQRRMIPWKZYDQZ-MAUKXSAKSA-N 2 0 372.525 3.784 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794936 943971420 /nfs/dbraw/zinc/97/14/20/943971420.db2.gz GGZXRWIENQELSE-LSDHHAIUSA-N 2 0 360.420 3.634 20 0 FHADRP CCC([NH3+])(CC)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414803001 944018579 /nfs/dbraw/zinc/01/85/79/944018579.db2.gz CHXPYLWENFEYPA-UHFFFAOYSA-N 2 0 368.363 3.521 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414804475 944037663 /nfs/dbraw/zinc/03/76/63/944037663.db2.gz FFAVCFNWFPAXED-AWEZNQCLSA-N 2 0 352.457 3.938 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)C[C@@H](C)O1 ZINC000437701627 944044697 /nfs/dbraw/zinc/04/46/97/944044697.db2.gz ORZMPAQIQMLZJA-HZPDHXFCSA-N 2 0 359.489 3.628 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)C[C@H](C)O1 ZINC000437701628 944045155 /nfs/dbraw/zinc/04/51/55/944045155.db2.gz ORZMPAQIQMLZJA-IYBDPMFKSA-N 2 0 359.489 3.628 20 0 FHADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894815 944092697 /nfs/dbraw/zinc/09/26/97/944092697.db2.gz HLUQSSMVVFUCMF-SYYKKAFVSA-N 2 0 369.509 3.583 20 0 FHADRP CCOc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000515649892 944093552 /nfs/dbraw/zinc/09/35/52/944093552.db2.gz GAPGDHSIXDUJCC-OAHLLOKOSA-N 2 0 354.441 3.508 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000414815362 944124860 /nfs/dbraw/zinc/12/48/60/944124860.db2.gz XIGHLZIWNUCHNM-OAHLLOKOSA-N 2 0 371.912 3.754 20 0 FHADRP CC[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)Oc1cccc(Cl)c1 ZINC000425903577 944133956 /nfs/dbraw/zinc/13/39/56/944133956.db2.gz WLVCSSRZSQIGJI-MRXNPFEDSA-N 2 0 363.889 3.742 20 0 FHADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OCc1cccs1 ZINC000414914218 944134836 /nfs/dbraw/zinc/13/48/36/944134836.db2.gz XPOFFCONHPDZEG-UHFFFAOYSA-N 2 0 360.523 3.815 20 0 FHADRP CN(c1ccccc1C[NH+]1CCC(OC2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000418089659 944144712 /nfs/dbraw/zinc/14/47/12/944144712.db2.gz JJDPMWVADIAUIY-UHFFFAOYSA-N 2 0 371.569 3.751 20 0 FHADRP CN(c1ccccc1C[NH2+][C@@H]1COCc2ccccc21)C1CC[NH+](C)CC1 ZINC000418102145 944158293 /nfs/dbraw/zinc/15/82/93/944158293.db2.gz HFJOXDUFMNDVSI-JOCHJYFZSA-N 2 0 365.521 3.578 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000436281966 944161853 /nfs/dbraw/zinc/16/18/53/944161853.db2.gz HTUWDGCWVRZURO-LLVBAIKDSA-N 2 0 370.537 3.609 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000518307849 944269550 /nfs/dbraw/zinc/26/95/50/944269550.db2.gz AQJWSZKEAQHLQK-UHFFFAOYSA-N 2 0 371.500 3.735 20 0 FHADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475101 944287500 /nfs/dbraw/zinc/28/75/00/944287500.db2.gz SFNWXMYQYQWEOZ-UWHLTILDSA-N 2 0 363.590 3.752 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000439083496 944322669 /nfs/dbraw/zinc/32/26/69/944322669.db2.gz GWITXZDKGKLLIN-SJORKVTESA-N 2 0 361.530 3.816 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506482000 944331666 /nfs/dbraw/zinc/33/16/66/944331666.db2.gz RWQVHVCHBYGMGE-TZIWHRDSSA-N 2 0 363.590 3.659 20 0 FHADRP C[NH+](C)CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000518427728 944372711 /nfs/dbraw/zinc/37/27/11/944372711.db2.gz FLYSBFGBAYOISD-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000425954127 944377259 /nfs/dbraw/zinc/37/72/59/944377259.db2.gz YMGFIWQUMNLRGN-MDMXATFFSA-N 2 0 358.526 3.882 20 0 FHADRP Cn1cc(CC[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000664836783 944381506 /nfs/dbraw/zinc/38/15/06/944381506.db2.gz XUNRHLXQAOXAGF-QFIPXVFZSA-N 2 0 366.553 3.585 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000426295079 944399067 /nfs/dbraw/zinc/39/90/67/944399067.db2.gz MCLBSUWAOFWONL-NVXWUHKLSA-N 2 0 350.576 3.837 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@@H+]1C ZINC000426325463 944446923 /nfs/dbraw/zinc/44/69/23/944446923.db2.gz VBTFDHCTVZCTOD-GJZGRUSLSA-N 2 0 351.332 3.943 20 0 FHADRP [NH3+]C1(c2ccccc2Cl)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167979038 944447638 /nfs/dbraw/zinc/44/76/38/944447638.db2.gz SSSKJTRCGLSWAL-DFNIBXOVSA-N 2 0 373.972 3.995 20 0 FHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCCCCC2)CC1 ZINC000518512342 944455779 /nfs/dbraw/zinc/45/57/79/944455779.db2.gz UYPFIQJSNQWCOZ-UHFFFAOYSA-N 2 0 371.569 3.684 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000518534452 944464705 /nfs/dbraw/zinc/46/47/05/944464705.db2.gz HSTSCYGBXGRMPN-QFIPXVFZSA-N 2 0 366.553 3.678 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000652033805 944470395 /nfs/dbraw/zinc/47/03/95/944470395.db2.gz NHGXKCJTIOLEIR-FGZHOGPDSA-N 2 0 354.494 3.637 20 0 FHADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000364372335 944491957 /nfs/dbraw/zinc/49/19/57/944491957.db2.gz CFBWRIBMPGOBKH-LJQANCHMSA-N 2 0 351.498 3.547 20 0 FHADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCOCC[NH+](C)C)CCC3)cc1 ZINC000516145766 944532836 /nfs/dbraw/zinc/53/28/36/944532836.db2.gz PTIMOEPXQKEXNR-KRWDZBQOSA-N 2 0 359.539 3.664 20 0 FHADRP c1ccc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964331 944543916 /nfs/dbraw/zinc/54/39/16/944543916.db2.gz PCRYJVQTHCPMMC-MBJRSGMTSA-N 2 0 353.554 3.646 20 0 FHADRP CC(C)(C)OC(=O)N(CC[NH2+][C@@H](Cn1ccnc1)C(C)(C)C)C(C)(C)C ZINC000311302550 944613220 /nfs/dbraw/zinc/61/32/20/944613220.db2.gz RSJUDVQVQQGWRI-INIZCTEOSA-N 2 0 366.550 3.923 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000414998146 944618066 /nfs/dbraw/zinc/61/80/66/944618066.db2.gz HXVMPRHXJKBDEV-XLIONFOSSA-N 2 0 361.493 3.541 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)nc1 ZINC001167983730 944668309 /nfs/dbraw/zinc/66/83/09/944668309.db2.gz UAJVMBSIQZFIGI-MRXNPFEDSA-N 2 0 364.493 3.607 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000500376927 944682293 /nfs/dbraw/zinc/68/22/93/944682293.db2.gz MVGYBTOCYIDCIA-DTQAZKPQSA-N 2 0 369.475 3.724 20 0 FHADRP CCCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000516314586 944717117 /nfs/dbraw/zinc/71/71/17/944717117.db2.gz AIPKCLWBFWUGDM-WFXMLNOXSA-N 2 0 372.557 3.644 20 0 FHADRP Cc1nc2ccc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2s1 ZINC000426412536 944726818 /nfs/dbraw/zinc/72/68/18/944726818.db2.gz PPXOJNKGQZQQNP-IYBDPMFKSA-N 2 0 373.566 3.926 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000506888998 944729824 /nfs/dbraw/zinc/72/98/24/944729824.db2.gz CQWAVFCPQWTOMW-UHFFFAOYSA-N 2 0 354.498 3.823 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000517867073 944745338 /nfs/dbraw/zinc/74/53/38/944745338.db2.gz INLAQQDPMAKJMD-TZIWHRDSSA-N 2 0 369.509 3.616 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000438549243 944777383 /nfs/dbraw/zinc/77/73/83/944777383.db2.gz CPZDEIONPQTVCK-NRFANRHFSA-N 2 0 357.542 3.552 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414936842 944852417 /nfs/dbraw/zinc/85/24/17/944852417.db2.gz BUVUGVJHGBMOPL-IIBYNOLFSA-N 2 0 364.468 3.766 20 0 FHADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000093683980 944887441 /nfs/dbraw/zinc/88/74/41/944887441.db2.gz GXXVHPZFGSDYKG-QFIPXVFZSA-N 2 0 368.521 3.666 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415004101 944893156 /nfs/dbraw/zinc/89/31/56/944893156.db2.gz NSVUYVHDWHPQMT-LPHOPBHVSA-N 2 0 370.541 3.921 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511698207 944913154 /nfs/dbraw/zinc/91/31/54/944913154.db2.gz YDMKWDPKSKAZFQ-ROUUACIJSA-N 2 0 357.542 3.521 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681901 944913646 /nfs/dbraw/zinc/91/36/46/944913646.db2.gz QGLBZEUQJRMOAD-GBESFXJTSA-N 2 0 371.569 3.767 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000511681902 944913758 /nfs/dbraw/zinc/91/37/58/944913758.db2.gz QGLBZEUQJRMOAD-GUDVDZBRSA-N 2 0 371.569 3.767 20 0 FHADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OCc1ccccc1 ZINC000414941724 944920651 /nfs/dbraw/zinc/92/06/51/944920651.db2.gz LWYIPJHQWZUKIE-XLIONFOSSA-N 2 0 354.494 3.752 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261957035 944923138 /nfs/dbraw/zinc/92/31/38/944923138.db2.gz GTMXFRWNVYMYTC-UHFFFAOYSA-N 2 0 366.553 3.804 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)F ZINC000425693569 944952825 /nfs/dbraw/zinc/95/28/25/944952825.db2.gz ROADMJMRCHXKBX-HNNXBMFYSA-N 2 0 368.472 3.504 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414945433 944989944 /nfs/dbraw/zinc/98/99/44/944989944.db2.gz IHNKWQHRXFSYML-OXJNMPFZSA-N 2 0 364.468 3.909 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@@H](C)C1 ZINC000437075628 944993402 /nfs/dbraw/zinc/99/34/02/944993402.db2.gz HDDGQGDCXVMNDW-UGKGYDQZSA-N 2 0 371.569 3.756 20 0 FHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084529 945001384 /nfs/dbraw/zinc/00/13/84/945001384.db2.gz BJOSOXYOPHMUGI-WOIUINJBSA-N 2 0 355.570 3.928 20 0 FHADRP CCC1(C[NH2+]C[C@](C)(O)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000516563235 945013821 /nfs/dbraw/zinc/01/38/21/945013821.db2.gz ABMYINBWPRQMTI-KRWDZBQOSA-N 2 0 358.448 3.582 20 0 FHADRP CC1([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[NH2+]CC1 ZINC000414948726 945016023 /nfs/dbraw/zinc/01/60/23/945016023.db2.gz YVYSLSDEZKZVCS-UHFFFAOYSA-N 2 0 364.468 3.910 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)N1CCC(C)CC1 ZINC000516588797 945050660 /nfs/dbraw/zinc/05/06/60/945050660.db2.gz VDNJIYDLRFVGGN-HXUWFJFHSA-N 2 0 371.569 3.655 20 0 FHADRP Cc1ccccc1CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000440314056 945395975 /nfs/dbraw/zinc/39/59/75/945395975.db2.gz IHFNYTQPOBEYBQ-UHFFFAOYSA-N 2 0 365.565 3.677 20 0 FHADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000894861003 945515504 /nfs/dbraw/zinc/51/55/04/945515504.db2.gz MXHYTQANPUOFDJ-CQSZACIVSA-N 2 0 353.532 3.917 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277401 945577165 /nfs/dbraw/zinc/57/71/65/945577165.db2.gz WOARSDWAIDCZPN-UHFFFAOYSA-N 2 0 368.525 3.912 20 0 FHADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000281271387 945577750 /nfs/dbraw/zinc/57/77/50/945577750.db2.gz HLXCXGQGIJWQLN-KRWDZBQOSA-N 2 0 373.520 3.514 20 0 FHADRP CCSc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000187800850 945599505 /nfs/dbraw/zinc/59/95/05/945599505.db2.gz RKALHGQUGJUTCP-MRXNPFEDSA-N 2 0 359.539 3.985 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651676530 945621293 /nfs/dbraw/zinc/62/12/93/945621293.db2.gz CVKGBLVSEBDNMC-HXUWFJFHSA-N 2 0 366.553 3.817 20 0 FHADRP C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000188045576 945659572 /nfs/dbraw/zinc/65/95/72/945659572.db2.gz VBHQQUFRPOXAQU-YWZLYKJASA-N 2 0 358.457 3.941 20 0 FHADRP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)c2)cc1 ZINC000415127427 945691193 /nfs/dbraw/zinc/69/11/93/945691193.db2.gz NAFPWQTUDPZGGT-JOCHJYFZSA-N 2 0 361.493 3.549 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443991922 945698574 /nfs/dbraw/zinc/69/85/74/945698574.db2.gz XMQKFOWJMZUTGN-UHFFFAOYSA-N 2 0 371.500 3.734 20 0 FHADRP COc1cc(OC)c(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651691699 945701724 /nfs/dbraw/zinc/70/17/24/945701724.db2.gz DGWUJSKIZNDZFI-GOSISDBHSA-N 2 0 372.484 3.845 20 0 FHADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncnc2sc3ccccc3c21 ZINC000440662906 945768498 /nfs/dbraw/zinc/76/84/98/945768498.db2.gz HEUTZFFCHQEYJI-UHFFFAOYSA-N 2 0 371.554 3.554 20 0 FHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000281595364 945775068 /nfs/dbraw/zinc/77/50/68/945775068.db2.gz LWYPNZGYAVWVAG-RDJZCZTQSA-N 2 0 370.459 3.727 20 0 FHADRP C[NH2+]CCC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000519828906 945792122 /nfs/dbraw/zinc/79/21/22/945792122.db2.gz YZNQHTLQCSGMED-OAQYLSRUSA-N 2 0 369.484 3.827 20 0 FHADRP Cc1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c2ccccc2[nH+]1 ZINC000301518663 945826145 /nfs/dbraw/zinc/82/61/45/945826145.db2.gz DNJPRSKDKRZYJR-UHFFFAOYSA-N 2 0 368.525 3.582 20 0 FHADRP Cc1cc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc(C(C)C)n1 ZINC000301545323 945839183 /nfs/dbraw/zinc/83/91/83/945839183.db2.gz KYLBKUNISSZJQS-ROUUACIJSA-N 2 0 360.546 3.624 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)c1 ZINC000662751783 945875815 /nfs/dbraw/zinc/87/58/15/945875815.db2.gz CVWKNOOPMDDSEU-UHFFFAOYSA-N 2 0 357.542 3.586 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519911587 945878512 /nfs/dbraw/zinc/87/85/12/945878512.db2.gz OXFSDCVCDPCWQA-FGZHOGPDSA-N 2 0 371.569 3.525 20 0 FHADRP O=C(C1CCCCC1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167972770 945886679 /nfs/dbraw/zinc/88/66/79/945886679.db2.gz BIBVDJZAGDFSRB-FRIKZZABSA-N 2 0 373.585 3.553 20 0 FHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647259 945941224 /nfs/dbraw/zinc/94/12/24/945941224.db2.gz JICGKRFQKRRNGG-UNMCSNQZSA-N 2 0 358.574 3.538 20 0 FHADRP CC[N@H+](C)Cc1cccc(CNc2ncnc3c2cnn3C(C)(C)C)c1 ZINC000301834784 945994127 /nfs/dbraw/zinc/99/41/27/945994127.db2.gz KPBMHARMGUAUSS-UHFFFAOYSA-N 2 0 352.486 3.645 20 0 FHADRP Fc1ccc2c(c1)[nH+]ccc2N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302018395 946080617 /nfs/dbraw/zinc/08/06/17/946080617.db2.gz GPTQZJVPROVSMU-UHFFFAOYSA-N 2 0 357.473 3.703 20 0 FHADRP Cc1nc(C2CC[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)no1 ZINC001168053292 946207535 /nfs/dbraw/zinc/20/75/35/946207535.db2.gz NCWDXQXUSTWQKB-IRXDYDNUSA-N 2 0 368.525 3.999 20 0 FHADRP CC(C)Oc1cccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)c1 ZINC000520208780 946270715 /nfs/dbraw/zinc/27/07/15/946270715.db2.gz KLAVFEMANHSCGZ-UHFFFAOYSA-N 2 0 367.537 3.776 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259916 946356379 /nfs/dbraw/zinc/35/63/79/946356379.db2.gz FEURSESXMYFVET-HLAWJBBLSA-N 2 0 360.542 3.546 20 0 FHADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000164458551 946418586 /nfs/dbraw/zinc/41/85/86/946418586.db2.gz RGLWFHUJGDSIMV-SFHVURJKSA-N 2 0 370.541 3.914 20 0 FHADRP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067940 946428362 /nfs/dbraw/zinc/42/83/62/946428362.db2.gz VGLBHWPNHUVBSB-KOUHRCEDSA-N 2 0 358.526 3.703 20 0 FHADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000840884940 946491743 /nfs/dbraw/zinc/49/17/43/946491743.db2.gz RRFXLPIIGBKGKP-GOSISDBHSA-N 2 0 356.485 3.812 20 0 FHADRP C[C@H]1CC(N(c2ccccn2)[C@@H]2CC[NH2+]C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168057486 946552092 /nfs/dbraw/zinc/55/20/92/946552092.db2.gz NMMOCEIHVZQRQX-IRFCIJBXSA-N 2 0 364.537 3.692 20 0 FHADRP CCC(=O)N(C)C1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168057374 946559398 /nfs/dbraw/zinc/55/93/98/946559398.db2.gz MQZHPOMRHMQTRH-OALUTQOASA-N 2 0 371.569 3.761 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1 ZINC000025702421 946560577 /nfs/dbraw/zinc/56/05/77/946560577.db2.gz IGUKSJXLUAAVHB-GOSISDBHSA-N 2 0 351.494 3.789 20 0 FHADRP C[C@@H]1CC([N@H+]2CCc3ccc(=O)[nH]c3CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058134 946598979 /nfs/dbraw/zinc/59/89/79/946598979.db2.gz BDDFJRJLZMBBMU-QZTJIDSGSA-N 2 0 365.521 3.629 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000475197201 946685959 /nfs/dbraw/zinc/68/59/59/946685959.db2.gz XMEWOVDZCSSNGU-IXDOHACOSA-N 2 0 361.555 3.879 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000119453174 946784108 /nfs/dbraw/zinc/78/41/08/946784108.db2.gz OCJUIOKLHPWDCR-AVRDEDQJSA-N 2 0 365.521 3.625 20 0 FHADRP Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c(OC(C)(C)C)c1 ZINC000655720707 946786580 /nfs/dbraw/zinc/78/65/80/946786580.db2.gz DIPBYHDQWFYUCN-HXUWFJFHSA-N 2 0 360.542 3.905 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281243 946816197 /nfs/dbraw/zinc/81/61/97/946816197.db2.gz CMMZPCZWJJAEFD-AEFFLSMTSA-N 2 0 369.475 3.991 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475281248 946816896 /nfs/dbraw/zinc/81/68/96/946816896.db2.gz CMMZPCZWJJAEFD-SJLPKXTDSA-N 2 0 369.475 3.991 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288370 946826219 /nfs/dbraw/zinc/82/62/19/946826219.db2.gz SKTHXLPDFIGIPW-HUVFLSCGSA-N 2 0 363.549 3.619 20 0 FHADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC2 ZINC000655721631 946839875 /nfs/dbraw/zinc/83/98/75/946839875.db2.gz REDOKWNEYJUUPS-FQEVSTJZSA-N 2 0 371.569 3.507 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345619 946872285 /nfs/dbraw/zinc/87/22/85/946872285.db2.gz GUPZGUSDWGSSPU-NNMXDRDESA-N 2 0 360.542 3.716 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348640 946886349 /nfs/dbraw/zinc/88/63/49/946886349.db2.gz LRBCQKUDLMBHTN-QZNHQXDQSA-N 2 0 368.521 3.827 20 0 FHADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000182612238 946905621 /nfs/dbraw/zinc/90/56/21/946905621.db2.gz DVLYDPLFHPNRAS-OAHLLOKOSA-N 2 0 352.544 3.670 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)cc1F ZINC000652354139 946912297 /nfs/dbraw/zinc/91/22/97/946912297.db2.gz NWAOGOYLBVFREM-CRAIPNDOSA-N 2 0 360.477 3.566 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000123949616 946918141 /nfs/dbraw/zinc/91/81/41/946918141.db2.gz ITADEHVEAAYANA-IBGZPJMESA-N 2 0 369.484 3.786 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)CC1 ZINC000520433053 946983937 /nfs/dbraw/zinc/98/39/37/946983937.db2.gz CUFVSHNQRQMSQY-NHCUHLMSSA-N 2 0 358.526 3.880 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511921970 947006929 /nfs/dbraw/zinc/00/69/29/947006929.db2.gz JDJQBBFLGWAACR-BOYDRYHPSA-N 2 0 372.459 3.725 20 0 FHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(Br)ccc2O)C1 ZINC000248581952 947292280 /nfs/dbraw/zinc/29/22/80/947292280.db2.gz WGAJTSKVTOBJKF-CZUORRHYSA-N 2 0 355.320 3.927 20 0 FHADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000487474786 947321407 /nfs/dbraw/zinc/32/14/07/947321407.db2.gz YXFXVYJPXXWKEZ-HSZRJFAPSA-N 2 0 365.521 3.533 20 0 FHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000250134826 947337580 /nfs/dbraw/zinc/33/75/80/947337580.db2.gz XXRVTBGNSSDGMY-ZIAGYGMSSA-N 2 0 355.320 3.846 20 0 FHADRP C[C@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)CCO1 ZINC000251738955 947348346 /nfs/dbraw/zinc/34/83/46/947348346.db2.gz PZPWARVOERJOLM-MBSDFSHPSA-N 2 0 365.521 3.944 20 0 FHADRP O[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188601209 947498878 /nfs/dbraw/zinc/49/88/78/947498878.db2.gz KPWUXFHKTPFGKW-MAUKXSAKSA-N 2 0 362.480 3.857 20 0 FHADRP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460362 947608965 /nfs/dbraw/zinc/60/89/65/947608965.db2.gz CWYRIAKPBHMOJL-QIJUGHKUSA-N 2 0 369.553 3.552 20 0 FHADRP COc1ccccc1C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000662251157 947668533 /nfs/dbraw/zinc/66/85/33/947668533.db2.gz AFUWRUMKJDDDRA-NRFANRHFSA-N 2 0 366.505 3.522 20 0 FHADRP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264072 947682166 /nfs/dbraw/zinc/68/21/66/947682166.db2.gz RCWRFBSGOGTYDD-AUSIDOKSSA-N 2 0 363.549 3.817 20 0 FHADRP Cc1ncsc1CN(CCc1nsc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000662268402 947689796 /nfs/dbraw/zinc/68/97/96/947689796.db2.gz XVBNATOKYRIGHU-HNNXBMFYSA-N 2 0 372.563 3.715 20 0 FHADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CCC2 ZINC000165193164 947707676 /nfs/dbraw/zinc/70/76/76/947707676.db2.gz GVCUELKJHUKCAZ-GOSISDBHSA-N 2 0 359.539 3.949 20 0 FHADRP COc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)o2)cc1 ZINC000662291579 947713556 /nfs/dbraw/zinc/71/35/56/947713556.db2.gz IPSUYONGBNZQND-GOSISDBHSA-N 2 0 355.482 3.562 20 0 FHADRP COc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662292988 947715338 /nfs/dbraw/zinc/71/53/38/947715338.db2.gz PXDKCIYGHDPYLZ-QAPCUYQASA-N 2 0 370.497 3.518 20 0 FHADRP c1sc(Cc2ccccc2)nc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292639 947716547 /nfs/dbraw/zinc/71/65/47/947716547.db2.gz GRYSTSIAWAFNKT-LJQANCHMSA-N 2 0 355.551 3.946 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297827 947719088 /nfs/dbraw/zinc/71/90/88/947719088.db2.gz SIDPVTWAWVAJTD-WBVHZDCISA-N 2 0 363.933 3.687 20 0 FHADRP Cc1sc2nc([C@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298417 947720549 /nfs/dbraw/zinc/72/05/49/947720549.db2.gz WCANKADRPKGCQT-BBRMVZONSA-N 2 0 374.554 3.786 20 0 FHADRP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324341 947751012 /nfs/dbraw/zinc/75/10/12/947751012.db2.gz VLTGHVDQDDGPCR-QAPCUYQASA-N 2 0 358.448 3.852 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376303 947758127 /nfs/dbraw/zinc/75/81/27/947758127.db2.gz LZJBELWHDJFKRB-ZAAXVRCTSA-N 2 0 369.484 3.927 20 0 FHADRP FC(F)(F)CCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327089 947758471 /nfs/dbraw/zinc/75/84/71/947758471.db2.gz IQQUIBNLSBRMBG-UHFFFAOYSA-N 2 0 358.452 3.789 20 0 FHADRP CC1CC[NH+]([C@H](CNC(=O)c2cccc3c2C[NH2+]C3)c2cccs2)CC1 ZINC000662347287 947758619 /nfs/dbraw/zinc/75/86/19/947758619.db2.gz ZNCNMRUUXTXOOL-LJQANCHMSA-N 2 0 369.534 3.554 20 0 FHADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc2c1C[NH2+]C2 ZINC000662426330 947791435 /nfs/dbraw/zinc/79/14/35/947791435.db2.gz XFNZFPATVHAZCL-UHFFFAOYSA-N 2 0 363.505 3.596 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000662467809 947832935 /nfs/dbraw/zinc/83/29/35/947832935.db2.gz GTTAFJLOLKQITI-SESVDKBCSA-N 2 0 359.558 3.509 20 0 FHADRP C[C@H]1C[NH+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C[C@H](C)O1 ZINC000663384361 947903117 /nfs/dbraw/zinc/90/31/17/947903117.db2.gz IHYZXRVOISZWNI-HOTGVXAUSA-N 2 0 350.466 3.784 20 0 FHADRP CC[NH+](CC)CCOc1ccc(CNc2[nH+]ccc3[nH]ccc32)cc1OC ZINC000663396089 947951512 /nfs/dbraw/zinc/95/15/12/947951512.db2.gz VKSTYEFQHMOHJE-UHFFFAOYSA-N 2 0 368.481 3.904 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000549612266 948013003 /nfs/dbraw/zinc/01/30/03/948013003.db2.gz ULDPOHQBJCOVGA-UIFIKXQLSA-N 2 0 358.526 3.878 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466786 948058118 /nfs/dbraw/zinc/05/81/18/948058118.db2.gz ACFHXXORCUQQTB-UYAOXDASSA-N 2 0 357.542 3.732 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466595 948058193 /nfs/dbraw/zinc/05/81/93/948058193.db2.gz VXYKBFLVVRGSQU-NEWJYFPISA-N 2 0 367.581 3.894 20 0 FHADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000511988343 948070534 /nfs/dbraw/zinc/07/05/34/948070534.db2.gz IONLBTHQWQZHFO-ZDUSSCGKSA-N 2 0 363.365 3.828 20 0 FHADRP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000663473286 948071325 /nfs/dbraw/zinc/07/13/25/948071325.db2.gz GSWPGBLPTLRLBL-CQSZACIVSA-N 2 0 367.415 3.892 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821583 948079799 /nfs/dbraw/zinc/07/97/99/948079799.db2.gz DWCPVVOIBQMVEK-FYYLOGMGSA-N 2 0 373.585 3.868 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823775 948103130 /nfs/dbraw/zinc/10/31/30/948103130.db2.gz AABUVKFDSNKVBZ-UONOGXRCSA-N 2 0 362.440 3.778 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001167824178 948108158 /nfs/dbraw/zinc/10/81/58/948108158.db2.gz GEGRDESKJCSTHV-CTNGQTDRSA-N 2 0 371.569 3.635 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001167825179 948119205 /nfs/dbraw/zinc/11/92/05/948119205.db2.gz GTNKMHHISJORSA-QGZVFWFLSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827820 948159695 /nfs/dbraw/zinc/15/96/95/948159695.db2.gz XUFVDZSUQNQSFT-ZWKOTPCHSA-N 2 0 355.567 3.686 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001167833382 948222463 /nfs/dbraw/zinc/22/24/63/948222463.db2.gz AORUMTBGHFHUAR-KRWDZBQOSA-N 2 0 353.551 3.582 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2ncnc3ccccc32)CC1 ZINC001167834427 948253939 /nfs/dbraw/zinc/25/39/39/948253939.db2.gz JRQRRRQWNMTCBI-SFHVURJKSA-N 2 0 370.541 3.984 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045628 948295840 /nfs/dbraw/zinc/29/58/40/948295840.db2.gz NUMPEZXBHRXQRQ-PKOBYXMFSA-N 2 0 372.582 3.595 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC001167835692 948297926 /nfs/dbraw/zinc/29/79/26/948297926.db2.gz SWSKNKSZDDUWPX-GOSISDBHSA-N 2 0 351.579 3.658 20 0 FHADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835711 948298669 /nfs/dbraw/zinc/29/86/69/948298669.db2.gz UCRBDXDAHUCALB-QFIPXVFZSA-N 3 0 368.654 3.627 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167835591 948300497 /nfs/dbraw/zinc/30/04/97/948300497.db2.gz RRXAUHRPJMJPJN-IEBWSBKVSA-N 2 0 367.578 3.971 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC001167838256 948312907 /nfs/dbraw/zinc/31/29/07/948312907.db2.gz SQSJBRDQLOGASM-KRWDZBQOSA-N 2 0 365.949 3.608 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001167839552 948315189 /nfs/dbraw/zinc/31/51/89/948315189.db2.gz ZYPAMRMZLMXOSN-OTWHNJEPSA-N 2 0 367.578 3.686 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000432409734 948353113 /nfs/dbraw/zinc/35/31/13/948353113.db2.gz IMBZIFBKHKNWRW-JKSUJKDBSA-N 2 0 374.447 3.779 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167842926 948397065 /nfs/dbraw/zinc/39/70/65/948397065.db2.gz ZRAJIXWVRMAEHP-SQNIBIBYSA-N 2 0 355.567 3.732 20 0 FHADRP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000512094201 948405492 /nfs/dbraw/zinc/40/54/92/948405492.db2.gz HOWBLWNHABKCNM-HDAAZOAOSA-N 2 0 357.542 3.509 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374944 948438468 /nfs/dbraw/zinc/43/84/68/948438468.db2.gz YRFSCSKDHLRIMY-IEBWSBKVSA-N 2 0 352.526 3.932 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000643294032 948447047 /nfs/dbraw/zinc/44/70/47/948447047.db2.gz BGJKZIDCOPOKCM-IBGZPJMESA-N 2 0 360.567 3.784 20 0 FHADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000390929408 948454258 /nfs/dbraw/zinc/45/42/58/948454258.db2.gz ZLROHYIGXTZRIL-RTBURBONSA-N 2 0 369.475 3.515 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152394896 948483522 /nfs/dbraw/zinc/48/35/22/948483522.db2.gz PTDTWPAVFLSYAY-APPDUMDISA-N 2 0 353.279 3.649 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152394988 948483626 /nfs/dbraw/zinc/48/36/26/948483626.db2.gz PTDTWPAVFLSYAY-GTNSWQLSSA-N 2 0 353.279 3.649 20 0 FHADRP CCCOc1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(C)c1 ZINC000474005124 948555378 /nfs/dbraw/zinc/55/53/78/948555378.db2.gz CBJJIGZBCWTGSX-UHFFFAOYSA-N 2 0 350.466 3.963 20 0 FHADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663693894 948649957 /nfs/dbraw/zinc/64/99/57/948649957.db2.gz BMFBESWEDWJTKF-MJGOQNOKSA-N 2 0 369.484 3.655 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)C[C@H](C)O1 ZINC000110427338 209323381 /nfs/dbraw/zinc/32/33/81/209323381.db2.gz MGVSMJGBEFTEHU-CALCHBBNSA-N 2 0 371.500 3.695 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000521428149 568025002 /nfs/dbraw/zinc/02/50/02/568025002.db2.gz XPJHPONOHBLOPP-QGZVFWFLSA-N 2 0 363.521 3.905 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000604011213 568198334 /nfs/dbraw/zinc/19/83/34/568198334.db2.gz GZOLBPQWIRPMAO-IBGZPJMESA-N 2 0 369.509 3.516 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000604384450 568287788 /nfs/dbraw/zinc/28/77/88/568287788.db2.gz PKLHRJMELYLNFW-OAQYLSRUSA-N 2 0 357.542 3.626 20 0 FHADRP CN1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1cccc(Cl)c1 ZINC000365226332 568338965 /nfs/dbraw/zinc/33/89/65/568338965.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 2 0 361.961 3.938 20 0 FHADRP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050030008 568664263 /nfs/dbraw/zinc/66/42/63/568664263.db2.gz MYNKEPDCXZKQCC-FQEVSTJZSA-N 2 0 351.494 3.599 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820411252 607087717 /nfs/dbraw/zinc/08/77/17/607087717.db2.gz HNDYRFIRRXNZBK-TWOQFEAHSA-N 2 0 368.529 3.560 20 0 FHADRP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2cc(N3CCCC3)cc[nH+]2)cc1 ZINC001164630896 719087596 /nfs/dbraw/zinc/08/75/96/719087596.db2.gz XHKCIENNSIHBJK-UNMCSNQZSA-N 2 0 362.521 3.783 20 0 FHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164620034 719124376 /nfs/dbraw/zinc/12/43/76/719124376.db2.gz GMVJDAWMUOXJSO-IPMKNSEASA-N 2 0 360.521 3.532 20 0 FHADRP [NH3+][C@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000237862372 936312415 /nfs/dbraw/zinc/31/24/15/936312415.db2.gz YINNFSSVSJNLNG-JOCHJYFZSA-N 2 0 365.521 3.769 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000510055323 927496114 /nfs/dbraw/zinc/49/61/14/927496114.db2.gz LKSUWXHLIKFPJU-QGZVFWFLSA-N 2 0 366.937 3.528 20 0 FHADRP CC[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072560 927674555 /nfs/dbraw/zinc/67/45/55/927674555.db2.gz PTOSWPLHVBREOT-HLAWJBBLSA-N 2 0 359.558 3.524 20 0 FHADRP Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157682829 928431130 /nfs/dbraw/zinc/43/11/30/928431130.db2.gz PAPFVHYAAMTGRJ-WZONZLPQSA-N 2 0 369.553 3.511 20 0 FHADRP CC(C)COC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000092223397 937265995 /nfs/dbraw/zinc/26/59/95/937265995.db2.gz MFNIDNZQPHIIKR-UHFFFAOYSA-N 2 0 360.542 3.798 20 0 FHADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119615263 928689288 /nfs/dbraw/zinc/68/92/88/928689288.db2.gz NXSMNHFMENIGTC-AKIFATBCSA-N 2 0 355.570 3.751 20 0 FHADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)ccc21 ZINC000583247130 937278602 /nfs/dbraw/zinc/27/86/02/937278602.db2.gz MLGRNHQTRFLRML-FPOVZHCZSA-N 2 0 370.541 3.718 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655442488 929165288 /nfs/dbraw/zinc/16/52/88/929165288.db2.gz RDHPSMOANRFAGR-KNQAVFIVSA-N 2 0 355.526 3.779 20 0 FHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547755900 929378525 /nfs/dbraw/zinc/37/85/25/929378525.db2.gz OWYWFCCBIRTJRH-UHFFFAOYSA-N 2 0 359.558 3.722 20 0 FHADRP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000180464665 929518373 /nfs/dbraw/zinc/51/83/73/929518373.db2.gz LRFAELFRNGLOQJ-LAUBAEHRSA-N 2 0 357.929 3.655 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000180644113 929609001 /nfs/dbraw/zinc/60/90/01/929609001.db2.gz FSUWHPBCIIDIFZ-GMAHTHKFSA-N 2 0 350.506 3.811 20 0 FHADRP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312572965 929695416 /nfs/dbraw/zinc/69/54/16/929695416.db2.gz VCTMBSVMMXPHIK-YLJYHZDGSA-N 2 0 361.489 3.941 20 0 FHADRP CN(c1ccccc1C[NH2+][C@H]1CCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000583333248 937354306 /nfs/dbraw/zinc/35/43/06/937354306.db2.gz JULUXFXYTGZOFR-QFIPXVFZSA-N 2 0 364.537 3.576 20 0 FHADRP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000580022828 929913905 /nfs/dbraw/zinc/91/39/05/929913905.db2.gz UQHXONVIAVSUOA-CQSZACIVSA-N 2 0 374.326 3.932 20 0 FHADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000275772637 930210748 /nfs/dbraw/zinc/21/07/48/930210748.db2.gz WCWDMXHXFGKJJT-QFIPXVFZSA-N 2 0 363.509 3.569 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064610 930268256 /nfs/dbraw/zinc/26/82/56/930268256.db2.gz KMNLTUZGOALLFX-DENIHFKCSA-N 2 0 371.569 3.668 20 0 FHADRP CSC1(C[NH2+]Cc2c(F)cccc2Br)CC[NH+](C)CC1 ZINC000580131941 930292365 /nfs/dbraw/zinc/29/23/65/930292365.db2.gz KMSSUVAJUIJZDW-UHFFFAOYSA-N 2 0 361.324 3.505 20 0 FHADRP FC(F)Sc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000050031211 930357312 /nfs/dbraw/zinc/35/73/12/930357312.db2.gz MZKMKFCXLMLGIL-UHFFFAOYSA-N 2 0 356.482 3.546 20 0 FHADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000397953584 930479774 /nfs/dbraw/zinc/47/97/74/930479774.db2.gz ASEBDTQBAZIHRB-NRDMVMEKSA-N 2 0 358.526 3.609 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000548085646 930573515 /nfs/dbraw/zinc/57/35/15/930573515.db2.gz RKPHRTMXYVRBEG-FQEVSTJZSA-N 2 0 369.509 3.688 20 0 FHADRP CC1(C)CC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000580395452 930623226 /nfs/dbraw/zinc/62/32/26/930623226.db2.gz JZWJOHSZVWDULI-INIZCTEOSA-N 2 0 358.448 3.508 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000471582225 930737493 /nfs/dbraw/zinc/73/74/93/930737493.db2.gz NQFNVWGBGSANOT-CRAIPNDOSA-N 2 0 372.384 3.930 20 0 FHADRP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000656256921 930898551 /nfs/dbraw/zinc/89/85/51/930898551.db2.gz DPLBNOOPALHQCW-UHFFFAOYSA-N 2 0 358.917 3.894 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000548120732 930940539 /nfs/dbraw/zinc/94/05/39/930940539.db2.gz CEJLGVAMZSKVGZ-GOSISDBHSA-N 2 0 359.558 3.846 20 0 FHADRP c1ccc(C2CCC(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)CC2)cc1 ZINC000564611922 930942493 /nfs/dbraw/zinc/94/24/93/930942493.db2.gz ISEDSWXAICPVCP-UHFFFAOYSA-N 2 0 355.570 3.674 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000471604665 930955886 /nfs/dbraw/zinc/95/58/86/930955886.db2.gz YTQARJBHJXUSRE-SUMWQHHRSA-N 2 0 356.341 3.596 20 0 FHADRP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C2CCOCC2)c1)C1CCOCC1 ZINC000580755279 931112645 /nfs/dbraw/zinc/11/26/45/931112645.db2.gz OHFZYZOICVRFGK-UHFFFAOYSA-N 2 0 366.933 3.562 20 0 FHADRP CC(C)COc1ccccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000580800451 931159513 /nfs/dbraw/zinc/15/95/13/931159513.db2.gz JIRCDSXVZJYCCN-UHFFFAOYSA-N 2 0 373.585 3.571 20 0 FHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801761 931166183 /nfs/dbraw/zinc/16/61/83/931166183.db2.gz WYSDEHUNVQQQMR-KBPBESRZSA-N 2 0 357.311 3.839 20 0 FHADRP COc1ccccc1C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCCO1 ZINC000581076384 931541879 /nfs/dbraw/zinc/54/18/79/931541879.db2.gz DWEGOUGJNRTOBL-QFIPXVFZSA-N 2 0 366.505 3.522 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000581100778 931565947 /nfs/dbraw/zinc/56/59/47/931565947.db2.gz QIGWXHIQTPXNPA-MRXNPFEDSA-N 2 0 370.440 3.623 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000581136474 931611279 /nfs/dbraw/zinc/61/12/79/931611279.db2.gz WWCITVPGIXEPBE-GHTZIAJQSA-N 2 0 374.573 3.522 20 0 FHADRP C[N@H+](CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164253 931690459 /nfs/dbraw/zinc/69/04/59/931690459.db2.gz UXLREKZVMUVPNT-NRFANRHFSA-N 2 0 371.569 3.669 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000548155926 931692936 /nfs/dbraw/zinc/69/29/36/931692936.db2.gz JWKKYRVWVHBIEF-WIYYLYMNSA-N 2 0 353.510 3.869 20 0 FHADRP CC[NH2+]CC1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000430541547 931722571 /nfs/dbraw/zinc/72/25/71/931722571.db2.gz JJAZIZWDDGUQHD-UHFFFAOYSA-N 2 0 357.542 3.674 20 0 FHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000581246075 931732883 /nfs/dbraw/zinc/73/28/83/931732883.db2.gz HJVWPYKKSLSDEK-UHFFFAOYSA-N 2 0 357.473 3.574 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000430586021 931960150 /nfs/dbraw/zinc/96/01/50/931960150.db2.gz UYORGLHRLSMSMW-UHFFFAOYSA-N 2 0 362.315 3.819 20 0 FHADRP C[NH+](C)Cc1ccc(-c2noc(-c3ccc4c(c3)[C@@H](C[NH3+])CCC4)n2)cc1 ZINC000656560185 932072007 /nfs/dbraw/zinc/07/20/07/932072007.db2.gz NNOHUNLUPONXHL-LJQANCHMSA-N 2 0 362.477 3.844 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000510430212 932178928 /nfs/dbraw/zinc/17/89/28/932178928.db2.gz RXGYFKZPCYYPTJ-QFIPXVFZSA-N 2 0 359.533 3.694 20 0 FHADRP FC(F)(F)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC1CCCC1 ZINC000668486951 932279784 /nfs/dbraw/zinc/27/97/84/932279784.db2.gz JLLZVALYLWENTR-QGZVFWFLSA-N 2 0 357.420 3.530 20 0 FHADRP c1cncc(COc2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000656782015 932410987 /nfs/dbraw/zinc/41/09/87/932410987.db2.gz CPJIDOFKXZZOHP-JOCHJYFZSA-N 2 0 365.521 3.872 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)ccn1 ZINC000656784700 932419287 /nfs/dbraw/zinc/41/92/87/932419287.db2.gz FXKXZXXBJGIBBD-JOCHJYFZSA-N 2 0 365.521 3.872 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656787067 932425796 /nfs/dbraw/zinc/42/57/96/932425796.db2.gz ZTJHPXOWFDBQRN-QFIPXVFZSA-N 2 0 366.553 3.760 20 0 FHADRP COc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656786771 932426019 /nfs/dbraw/zinc/42/60/19/932426019.db2.gz XMWLNFUDBRJAFE-HNNXBMFYSA-N 2 0 354.441 3.508 20 0 FHADRP c1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc(Oc3cnccn3)cc2)cc1 ZINC000656789026 932426650 /nfs/dbraw/zinc/42/66/50/932426650.db2.gz NHDLTOIOWQTZJX-NHCUHLMSSA-N 2 0 360.461 3.504 20 0 FHADRP CO[C@@H]1CCC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684385707 932497462 /nfs/dbraw/zinc/49/74/62/932497462.db2.gz ZDMHQWSQECXGJQ-RBBKRZOGSA-N 2 0 360.542 3.605 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000581716666 932551601 /nfs/dbraw/zinc/55/16/01/932551601.db2.gz MVLKNALAGUZGRC-FQEVSTJZSA-N 2 0 360.542 3.799 20 0 FHADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000090403407 932553302 /nfs/dbraw/zinc/55/33/02/932553302.db2.gz IUZMEZYMRAPAHT-SFHVURJKSA-N 2 0 372.582 3.700 20 0 FHADRP Cc1ncc([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000090403405 932553881 /nfs/dbraw/zinc/55/38/81/932553881.db2.gz IUZMEZYMRAPAHT-GOSISDBHSA-N 2 0 372.582 3.700 20 0 FHADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411341 932588081 /nfs/dbraw/zinc/58/80/81/932588081.db2.gz KECLYCQEFZIMSS-MAUKXSAKSA-N 2 0 356.432 3.934 20 0 FHADRP C[NH+](C)CCOc1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000684425926 932693195 /nfs/dbraw/zinc/69/31/95/932693195.db2.gz DAKXLBUUNUWFCW-UHFFFAOYSA-N 2 0 361.917 3.954 20 0 FHADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430672182 932855136 /nfs/dbraw/zinc/85/51/36/932855136.db2.gz ZCAFOFRJLSMKBA-SFHVURJKSA-N 2 0 351.494 3.614 20 0 FHADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000090971259 933106811 /nfs/dbraw/zinc/10/68/11/933106811.db2.gz UKKQHUYFJQTWDB-GOSISDBHSA-N 2 0 353.510 3.971 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000067507159 933144864 /nfs/dbraw/zinc/14/48/64/933144864.db2.gz XPNCOHWHJKGGDH-MRXNPFEDSA-N 2 0 352.482 3.653 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnn2-c2ccccc2OC)CC1 ZINC000430727025 933185081 /nfs/dbraw/zinc/18/50/81/933185081.db2.gz GFRQSXKZFXXNHZ-UHFFFAOYSA-N 2 0 370.541 3.825 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)[C@H](C[NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000430737563 933189724 /nfs/dbraw/zinc/18/97/24/933189724.db2.gz ISBQWTGWOLNUHN-GHTZIAJQSA-N 2 0 365.521 3.509 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740116 933191295 /nfs/dbraw/zinc/19/12/95/933191295.db2.gz JCKBCTFQSUBPCU-LAUBAEHRSA-N 2 0 351.494 3.600 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388764 933292627 /nfs/dbraw/zinc/29/26/27/933292627.db2.gz TUMXTJPSFCXYSV-UXHICEINSA-N 2 0 363.590 3.754 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430919866 933416592 /nfs/dbraw/zinc/41/65/92/933416592.db2.gz MLTRHJHQFRKOLG-KRWDZBQOSA-N 2 0 351.494 3.612 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430943725 933459103 /nfs/dbraw/zinc/45/91/03/933459103.db2.gz QCCJETRMXSIRQN-UHFFFAOYSA-N 2 0 364.415 3.671 20 0 FHADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159333169 933552434 /nfs/dbraw/zinc/55/24/34/933552434.db2.gz DYLLNMUHRSYOGK-QFIPXVFZSA-N 2 0 371.569 3.842 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431029039 933702712 /nfs/dbraw/zinc/70/27/12/933702712.db2.gz XECBYZUIXDZRQL-GOSISDBHSA-N 2 0 363.505 3.756 20 0 FHADRP c1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000431039006 933727069 /nfs/dbraw/zinc/72/70/69/933727069.db2.gz GAUDVUYHVCUYCC-FQEVSTJZSA-N 2 0 374.488 3.902 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000132331813 934040406 /nfs/dbraw/zinc/04/04/06/934040406.db2.gz NTZDBSCMKGMYPM-CRAIPNDOSA-N 2 0 357.464 3.628 20 0 FHADRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c2ccccc12 ZINC000093735199 934168573 /nfs/dbraw/zinc/16/85/73/934168573.db2.gz LKHDYJYWXFSGJO-UHFFFAOYSA-N 2 0 368.521 3.925 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000684579543 934169664 /nfs/dbraw/zinc/16/96/64/934169664.db2.gz IWTWSRFJEGHGDF-SFHVURJKSA-N 2 0 363.461 3.509 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000610814290 934493764 /nfs/dbraw/zinc/49/37/64/934493764.db2.gz FTAUHMZZNWBOBT-BBRMVZONSA-N 2 0 372.294 3.674 20 0 FHADRP C[NH+](C)CCCCCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176274265 934627402 /nfs/dbraw/zinc/62/74/02/934627402.db2.gz AMKHEVKMQDICQF-UHFFFAOYSA-N 2 0 366.594 3.595 20 0 FHADRP C[C@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236659886 934759409 /nfs/dbraw/zinc/75/94/09/934759409.db2.gz CESYIYUUCABCRS-DENIHFKCSA-N 2 0 371.569 3.602 20 0 FHADRP C[C@H]([NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000154006673 934831534 /nfs/dbraw/zinc/83/15/34/934831534.db2.gz JXOVXXAXQIAWTE-JTSKRJEESA-N 2 0 362.521 3.983 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236878703 934937863 /nfs/dbraw/zinc/93/78/63/934937863.db2.gz DGXLQOSRMJIUQS-IOMROCGXSA-N 2 0 353.510 3.522 20 0 FHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000537969300 934993732 /nfs/dbraw/zinc/99/37/32/934993732.db2.gz SVJWVGSTOOAZCM-XHSDSOJGSA-N 2 0 369.347 3.989 20 0 FHADRP Cc1cc(Br)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000668587206 935006494 /nfs/dbraw/zinc/00/64/94/935006494.db2.gz JNINLMUOYPGUEX-UHFFFAOYSA-N 2 0 366.328 3.973 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000657300688 935025139 /nfs/dbraw/zinc/02/51/39/935025139.db2.gz SPEDYAUQFRFEHA-IBGZPJMESA-N 2 0 368.521 3.986 20 0 FHADRP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC000439909353 945072386 /nfs/dbraw/zinc/07/23/86/945072386.db2.gz FNOPMGMFXJZGLK-TZIWHRDSSA-N 2 0 372.557 3.703 20 0 FHADRP CN1CCC[C@H](C[NH2+][C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130398193 935068513 /nfs/dbraw/zinc/06/85/13/935068513.db2.gz BYYBMEWMDQTASF-NXHRZFHOSA-N 2 0 356.432 3.857 20 0 FHADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC1(N3CCCC3)CCOCC1)CCC2 ZINC000431336745 935145069 /nfs/dbraw/zinc/14/50/69/935145069.db2.gz FNDHNUJGLWZZMG-NRFANRHFSA-N 2 0 370.537 3.624 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000582089837 935239197 /nfs/dbraw/zinc/23/91/97/935239197.db2.gz YZAYACUSUWSCTO-IAGOWNOFSA-N 2 0 371.491 3.672 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000582092361 935242485 /nfs/dbraw/zinc/24/24/85/935242485.db2.gz NOHDQMZYPSFJBX-QGZVFWFLSA-N 2 0 373.491 3.920 20 0 FHADRP Cc1ccc([C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)N2CCCC2)cc1 ZINC000657338621 935272636 /nfs/dbraw/zinc/27/26/36/935272636.db2.gz QZXYFRLEZURBIM-QFIPXVFZSA-N 2 0 361.493 3.502 20 0 FHADRP CCOc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000261770552 935317458 /nfs/dbraw/zinc/31/74/58/935317458.db2.gz WVOKWPJVBCAPBR-INIZCTEOSA-N 2 0 354.441 3.651 20 0 FHADRP CCOc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1OC(F)F ZINC000261770553 935317652 /nfs/dbraw/zinc/31/76/52/935317652.db2.gz WVOKWPJVBCAPBR-MRXNPFEDSA-N 2 0 354.441 3.651 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152231603 935320867 /nfs/dbraw/zinc/32/08/67/935320867.db2.gz APLKTCGGZNUCNL-SFHVURJKSA-N 2 0 364.493 3.664 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000657364148 935372014 /nfs/dbraw/zinc/37/20/14/935372014.db2.gz UBAATTZDISVAKX-INIZCTEOSA-N 2 0 360.473 3.591 20 0 FHADRP Cc1ccc2cc(C[NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)[nH]c2c1 ZINC000657376833 935452432 /nfs/dbraw/zinc/45/24/32/935452432.db2.gz KCWPRUZNOBDFBQ-UHFFFAOYSA-N 2 0 354.542 3.516 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](CC)CN1C(C)=O ZINC001167568492 935599991 /nfs/dbraw/zinc/59/99/91/935599991.db2.gz UECBRZBCVVMZHC-XZOQPEGZSA-N 2 0 371.569 3.894 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237079234 935718372 /nfs/dbraw/zinc/71/83/72/935718372.db2.gz QQXUYEUCDUXAQU-FQEVSTJZSA-N 2 0 351.494 3.647 20 0 FHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159140447 935801814 /nfs/dbraw/zinc/80/18/14/935801814.db2.gz LYERYGQBSACHPR-HNNXBMFYSA-N 2 0 373.570 3.573 20 0 FHADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000582546259 935812316 /nfs/dbraw/zinc/81/23/16/935812316.db2.gz IOZSALXSDDCQFC-MRXNPFEDSA-N 2 0 357.885 3.763 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001167586068 935846468 /nfs/dbraw/zinc/84/64/68/935846468.db2.gz GXYKNDASPNONHT-ROUUACIJSA-N 2 0 355.567 3.876 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000413505576 935862708 /nfs/dbraw/zinc/86/27/08/935862708.db2.gz VBCQAQBQMYXMHY-NQIIRXRSSA-N 2 0 357.542 3.617 20 0 FHADRP CC(C)[C@@H](O)C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000582620913 935882188 /nfs/dbraw/zinc/88/21/88/935882188.db2.gz WAYVFJJJFMRZKB-SFTDATJTSA-N 2 0 350.522 3.985 20 0 FHADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC000657537366 935975976 /nfs/dbraw/zinc/97/59/76/935975976.db2.gz IUYHATJZSBTGRY-FCHUYYIVSA-N 2 0 356.554 3.878 20 0 FHADRP COc1cc2ccccc2cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537774 935979023 /nfs/dbraw/zinc/97/90/23/935979023.db2.gz SKEVXVIGPCFKNZ-UHFFFAOYSA-N 2 0 368.521 3.829 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000075007434 936002685 /nfs/dbraw/zinc/00/26/85/936002685.db2.gz WLLLSCKSJBNJCB-UHFFFAOYSA-N 2 0 359.489 3.697 20 0 FHADRP COc1cccc([C@H](CNC2CC[NH+](C3CCCCC3)CC2)[NH+](C)C)c1 ZINC000133610895 936003804 /nfs/dbraw/zinc/00/38/04/936003804.db2.gz FKMJPHCPAOCXSE-QFIPXVFZSA-N 2 0 359.558 3.685 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(C)c1OC ZINC000582748324 936067710 /nfs/dbraw/zinc/06/77/10/936067710.db2.gz HEFSNVQIAMOCEO-INIZCTEOSA-N 2 0 366.465 3.752 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237467467 936071731 /nfs/dbraw/zinc/07/17/31/936071731.db2.gz DYURJJQKQZEXBX-RTBURBONSA-N 2 0 371.569 3.561 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000657594293 936073647 /nfs/dbraw/zinc/07/36/47/936073647.db2.gz IDTAIWDEPVGNQE-IBGZPJMESA-N 2 0 364.411 3.562 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)cc2)C1 ZINC000657594547 936074243 /nfs/dbraw/zinc/07/42/43/936074243.db2.gz BJPCIJKNEWWHPF-XPWALMASSA-N 2 0 350.506 3.679 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000657599162 936081686 /nfs/dbraw/zinc/08/16/86/936081686.db2.gz PFOZMSHJHZGRSN-NHCUHLMSSA-N 2 0 371.569 3.668 20 0 FHADRP CC(C)Oc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612247 936092027 /nfs/dbraw/zinc/09/20/27/936092027.db2.gz KIEPPNLIIHENBO-UHFFFAOYSA-N 2 0 353.510 3.871 20 0 FHADRP Cn1ccnc1C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccccc1 ZINC000657648467 936151696 /nfs/dbraw/zinc/15/16/96/936151696.db2.gz LENKQMYZMDFZAA-ZWKOTPCHSA-N 2 0 368.506 3.802 20 0 FHADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000221974333 936155977 /nfs/dbraw/zinc/15/59/77/936155977.db2.gz SGPWYSMIVPTNNL-LLVKDONJSA-N 2 0 350.359 3.732 20 0 FHADRP C[C@H](CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC[NH2+]CC1 ZINC000237610126 936163665 /nfs/dbraw/zinc/16/36/65/936163665.db2.gz GNQUFBZTDSEBJO-MOPGFXCFSA-N 2 0 371.569 3.792 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC[NH2+]CC1 ZINC000237672401 936197997 /nfs/dbraw/zinc/19/79/97/936197997.db2.gz OMNDKLQBXXCASS-LJQANCHMSA-N 2 0 371.569 3.705 20 0 FHADRP CN(c1ccccc1C[NH2+]CC[C@@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000657669961 936209848 /nfs/dbraw/zinc/20/98/48/936209848.db2.gz BYEZRVZKFNMARN-IBGZPJMESA-N 2 0 351.485 3.742 20 0 FHADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899173 936271339 /nfs/dbraw/zinc/27/13/39/936271339.db2.gz AJTLXIFXQSAXNO-AHWCRGGASA-N 2 0 366.505 3.519 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cncs2)CC1 ZINC000127238192 938260359 /nfs/dbraw/zinc/26/03/59/938260359.db2.gz QUZIGPFPVRINLF-GJZGRUSLSA-N 2 0 362.518 3.836 20 0 FHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150996031 938261386 /nfs/dbraw/zinc/26/13/86/938261386.db2.gz IQCXLHPYXTVKNU-KRWDZBQOSA-N 2 0 370.006 3.826 20 0 FHADRP COCC[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536034200 938261770 /nfs/dbraw/zinc/26/17/70/938261770.db2.gz BJEOGMJFEAZLOS-WOIUINJBSA-N 2 0 360.542 3.585 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705817 938282452 /nfs/dbraw/zinc/28/24/52/938282452.db2.gz XHNTTWWZRHSXHT-LMMKCTJWSA-N 2 0 357.523 3.528 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000650706179 938285282 /nfs/dbraw/zinc/28/52/82/938285282.db2.gz FSRAYBFBFWSVAJ-LMMKCTJWSA-N 2 0 357.523 3.528 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706255 938285478 /nfs/dbraw/zinc/28/54/78/938285478.db2.gz HFWVMPCEOOAJFP-FMKPAKJESA-N 2 0 363.552 3.590 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000650707806 938287488 /nfs/dbraw/zinc/28/74/88/938287488.db2.gz NMIGVNWZECRKQZ-IDHHARJASA-N 2 0 359.901 3.607 20 0 FHADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707853 938287702 /nfs/dbraw/zinc/28/77/02/938287702.db2.gz OEHWSBWNNURDAN-RVSPLBMKSA-N 2 0 373.324 3.720 20 0 FHADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000583532237 938294798 /nfs/dbraw/zinc/29/47/98/938294798.db2.gz RWPZJQMAVVMQOV-UHFFFAOYSA-N 2 0 370.456 3.811 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000650711978 938296429 /nfs/dbraw/zinc/29/64/29/938296429.db2.gz LHINLLMVKAKQQM-ZFWWWQNUSA-N 2 0 360.420 3.586 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2nsc3ccccc23)cc1 ZINC000657770602 938298978 /nfs/dbraw/zinc/29/89/78/938298978.db2.gz PWXZKPGTNBLVNT-UHFFFAOYSA-N 2 0 355.507 3.569 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc(C[NH3+])cc1F ZINC000650717966 938305006 /nfs/dbraw/zinc/30/50/06/938305006.db2.gz SKDFKOLAVPCKSQ-UHFFFAOYSA-N 2 0 374.410 3.655 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3)s2)C1 ZINC000650723624 938310748 /nfs/dbraw/zinc/31/07/48/938310748.db2.gz RBDINDKVTUQHIZ-FGTMMUONSA-N 2 0 357.523 3.671 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723771 938310949 /nfs/dbraw/zinc/31/09/49/938310949.db2.gz TVVQBHLDSZPKGD-KURKYZTESA-N 2 0 356.432 3.875 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000583627334 938328650 /nfs/dbraw/zinc/32/86/50/938328650.db2.gz OMFPNNURJOUHSI-WOJBJXKFSA-N 2 0 368.868 3.537 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1)CC(C)C ZINC000469531804 945167171 /nfs/dbraw/zinc/16/71/71/945167171.db2.gz WEJRYLQZYWIOGC-UHFFFAOYSA-N 2 0 373.545 3.655 20 0 FHADRP CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000583690178 938359368 /nfs/dbraw/zinc/35/93/68/938359368.db2.gz HNUJANCZIHRYBA-NHCUHLMSSA-N 2 0 365.521 3.666 20 0 FHADRP CSC1(C[NH2+]Cc2ccc(F)c(Br)c2)CC[NH+](C)CC1 ZINC000562083636 938430012 /nfs/dbraw/zinc/43/00/12/938430012.db2.gz ZEMPAGWBHQHGGC-UHFFFAOYSA-N 2 0 361.324 3.505 20 0 FHADRP COCCC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000650764247 938451020 /nfs/dbraw/zinc/45/10/20/938451020.db2.gz ULAQSGUZEJPGIO-SFHVURJKSA-N 2 0 369.347 3.896 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000131320900 938462766 /nfs/dbraw/zinc/46/27/66/938462766.db2.gz DVRMJCQFVPYERY-PDDLGQBUSA-N 2 0 357.542 3.919 20 0 FHADRP Fc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000657813612 938517756 /nfs/dbraw/zinc/51/77/56/938517756.db2.gz UFWNXLVJVQEFRJ-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP CCc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000132384877 938520298 /nfs/dbraw/zinc/52/02/98/938520298.db2.gz NTVHVJWZKFSFGO-UHFFFAOYSA-N 2 0 372.509 3.621 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000657815245 938534038 /nfs/dbraw/zinc/53/40/38/938534038.db2.gz NOHQBCKICKJCLR-XXBNENTESA-N 3 0 355.570 3.751 20 0 FHADRP Fc1c(Br)cccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657816559 938536744 /nfs/dbraw/zinc/53/67/44/938536744.db2.gz XFQYGOIGNUZCIJ-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000584012311 938543118 /nfs/dbraw/zinc/54/31/18/938543118.db2.gz LIEIWUXUUOFBGQ-SFGWALBWSA-N 2 0 372.940 3.916 20 0 FHADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000584026508 938556663 /nfs/dbraw/zinc/55/66/63/938556663.db2.gz OILIZBWBEVYJKJ-RTBURBONSA-N 2 0 374.573 3.632 20 0 FHADRP Cc1cnccc1OC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000278612485 938583693 /nfs/dbraw/zinc/58/36/93/938583693.db2.gz MRKIPGLOHSTJLB-UHFFFAOYSA-N 2 0 373.884 3.915 20 0 FHADRP CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000657833550 938627524 /nfs/dbraw/zinc/62/75/24/938627524.db2.gz AQLGNUVULCIYDP-SFTDATJTSA-N 2 0 359.602 3.994 20 0 FHADRP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000506012000 945193188 /nfs/dbraw/zinc/19/31/88/945193188.db2.gz GIAGFGYGWMGMJM-UHFFFAOYSA-N 2 0 367.537 3.868 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836879 938660032 /nfs/dbraw/zinc/66/00/32/938660032.db2.gz XATMJGQNOQGKPV-SJLPKXTDSA-N 2 0 353.501 3.635 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000518197687 945194046 /nfs/dbraw/zinc/19/40/46/945194046.db2.gz NAJNGYLNFORYLL-PWRODBHTSA-N 2 0 372.553 3.845 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)C1 ZINC000657839296 938691786 /nfs/dbraw/zinc/69/17/86/938691786.db2.gz RAMCCJOFKNQLHL-DBXWQHBBSA-N 2 0 352.526 3.986 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000657838901 938698695 /nfs/dbraw/zinc/69/86/95/938698695.db2.gz HGIDJZRCFKHCOU-GOSISDBHSA-N 2 0 358.448 3.729 20 0 FHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)CC1 ZINC000584378474 938785474 /nfs/dbraw/zinc/78/54/74/938785474.db2.gz LGZGPZVQALJVHA-HNNXBMFYSA-N 2 0 360.452 3.519 20 0 FHADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000414965121 945203448 /nfs/dbraw/zinc/20/34/48/945203448.db2.gz NBSHBEGSJKYCTC-MXVIHJGJSA-N 2 0 372.557 3.602 20 0 FHADRP C[NH+](C)Cc1cccc(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)c1 ZINC000081430755 938788623 /nfs/dbraw/zinc/78/86/23/938788623.db2.gz ONUDEVOJZIBFKT-UHFFFAOYSA-N 2 0 363.505 3.547 20 0 FHADRP CC1(C)CC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC(C)(C)[NH2+]1 ZINC000081458116 938789710 /nfs/dbraw/zinc/78/97/10/938789710.db2.gz BALVMNVLNNBIHR-UHFFFAOYSA-N 2 0 352.482 3.864 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586507 938880489 /nfs/dbraw/zinc/88/04/89/938880489.db2.gz PTZKCCDICXUPPM-QFIPXVFZSA-N 2 0 357.586 3.651 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879795 938884276 /nfs/dbraw/zinc/88/42/76/938884276.db2.gz OWQCZQIPEVXJTK-QGZVFWFLSA-N 2 0 353.514 3.715 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000584442034 938888624 /nfs/dbraw/zinc/88/86/24/938888624.db2.gz QUOOGRNJZIZMDQ-UHFFFAOYSA-N 2 0 356.913 3.844 20 0 FHADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091266684 938898821 /nfs/dbraw/zinc/89/88/21/938898821.db2.gz NILXTYWJRCIXEL-GOSISDBHSA-N 2 0 357.464 3.630 20 0 FHADRP C[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320508 938900300 /nfs/dbraw/zinc/90/03/00/938900300.db2.gz OGGNZWRCXIIHIC-HNAYVOBHSA-N 2 0 369.475 3.630 20 0 FHADRP Cc1ccc(OC(F)F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735180 938929354 /nfs/dbraw/zinc/92/93/54/938929354.db2.gz YHDWVQAMVGBXAY-UHFFFAOYSA-N 2 0 368.468 3.673 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2cnccc2o1 ZINC000657873701 938960151 /nfs/dbraw/zinc/96/01/51/938960151.db2.gz NIMGVNWCTYJZDH-MRXNPFEDSA-N 2 0 365.477 3.635 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000431554442 938964941 /nfs/dbraw/zinc/96/49/41/938964941.db2.gz AFFBAMHCKBHNNP-NRFANRHFSA-N 2 0 359.558 3.554 20 0 FHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657889509 938983213 /nfs/dbraw/zinc/98/32/13/938983213.db2.gz YMHQCPDFPMOUII-UYAOXDASSA-N 2 0 356.554 3.587 20 0 FHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657893271 938991598 /nfs/dbraw/zinc/99/15/98/938991598.db2.gz QYLDTZNPAYUGLG-QGZVFWFLSA-N 2 0 372.582 3.897 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000431601425 938994923 /nfs/dbraw/zinc/99/49/23/938994923.db2.gz SWFWRTQTFBAWSP-JOCHJYFZSA-N 2 0 365.521 3.592 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925464 939007771 /nfs/dbraw/zinc/00/77/71/939007771.db2.gz NVGIBTCUKGELEX-QGTPRVQTSA-N 2 0 359.539 3.715 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc2ccncc2s1 ZINC000657969266 939013473 /nfs/dbraw/zinc/01/34/73/939013473.db2.gz LLYCMQHACQPPRH-DNVCBOLYSA-N 2 0 367.518 3.714 20 0 FHADRP COc1cccc2cc([C@H](C)[NH2+]CC3CC[NH+](C4CCOCC4)CC3)oc21 ZINC000658066539 939021536 /nfs/dbraw/zinc/02/15/36/939021536.db2.gz BOWBCTHGFOTXDZ-INIZCTEOSA-N 2 0 372.509 3.983 20 0 FHADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067162 939021545 /nfs/dbraw/zinc/02/15/45/939021545.db2.gz KRFZSXLPLOAKFC-FGZHOGPDSA-N 2 0 360.517 3.942 20 0 FHADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067348 939021590 /nfs/dbraw/zinc/02/15/90/939021590.db2.gz MUFCMMDHZYGMHB-QFIPXVFZSA-N 2 0 362.533 3.873 20 0 FHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(F)ccc1F ZINC000658068728 939021732 /nfs/dbraw/zinc/02/17/32/939021732.db2.gz IAQVRMMSZJYZSR-HXUWFJFHSA-N 2 0 352.469 3.897 20 0 FHADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658069533 939021845 /nfs/dbraw/zinc/02/18/45/939021845.db2.gz GUBBWJRYMXFSHD-KRWDZBQOSA-N 2 0 368.443 3.572 20 0 FHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071705 939021943 /nfs/dbraw/zinc/02/19/43/939021943.db2.gz XRNWLVGJXGRDTF-LJQANCHMSA-N 2 0 370.581 3.977 20 0 FHADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140197 939034828 /nfs/dbraw/zinc/03/48/28/939034828.db2.gz UHBZCJHLRFMARM-FCHUYYIVSA-N 2 0 350.506 3.647 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143177 939036211 /nfs/dbraw/zinc/03/62/11/939036211.db2.gz XHKHKROPPPOUCY-RBBKRZOGSA-N 2 0 354.494 3.503 20 0 FHADRP Cc1ccc(C2CC([NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)C2)cc1 ZINC000658136293 939040039 /nfs/dbraw/zinc/04/00/39/939040039.db2.gz GMXIPQAXKYZKKK-VNXZQDSDSA-N 2 0 350.506 3.597 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2ccncc2s1 ZINC000658139046 939041039 /nfs/dbraw/zinc/04/10/39/939041039.db2.gz QCSCWGYZDPAVBP-KXBFYZLASA-N 2 0 367.518 3.714 20 0 FHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137382 939041162 /nfs/dbraw/zinc/04/11/62/939041162.db2.gz GNMCBWBTJLJDSS-HNAYVOBHSA-N 2 0 373.566 3.992 20 0 FHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138731 939041939 /nfs/dbraw/zinc/04/19/39/939041939.db2.gz KCCJOPRDKXAOFC-VGSWGCGISA-N 2 0 356.485 3.503 20 0 FHADRP Cc1cc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139634 939043074 /nfs/dbraw/zinc/04/30/74/939043074.db2.gz QPYAVTYRELLACB-JTHBVZDNSA-N 2 0 368.496 3.942 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140707 939043467 /nfs/dbraw/zinc/04/34/67/939043467.db2.gz QUNFCNGLBRSEDE-HOYKHHGWSA-N 2 0 364.533 3.983 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140789 939043555 /nfs/dbraw/zinc/04/35/55/939043555.db2.gz RCDAQSVDZNVAGB-GUYCJALGSA-N 2 0 364.411 3.521 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140711 939043940 /nfs/dbraw/zinc/04/39/40/939043940.db2.gz QUNFCNGLBRSEDE-MHECFPHRSA-N 2 0 364.533 3.983 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1nc2ccccc2n1C ZINC000658168043 939054486 /nfs/dbraw/zinc/05/44/86/939054486.db2.gz VEYUEBDNAOOWIL-QGZVFWFLSA-N 2 0 363.509 3.531 20 0 FHADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168369 939055411 /nfs/dbraw/zinc/05/54/11/939055411.db2.gz WKXJQFDXUIXAHE-JOCHJYFZSA-N 2 0 365.521 3.969 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(OC)c1 ZINC000658168110 939055426 /nfs/dbraw/zinc/05/54/26/939055426.db2.gz RZMLDVFCKLNIJZ-KRWDZBQOSA-N 2 0 369.509 3.662 20 0 FHADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168893 939055439 /nfs/dbraw/zinc/05/54/39/939055439.db2.gz ZYKWMPMATPCUJE-QFIPXVFZSA-N 2 0 367.562 3.914 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000658254312 939090273 /nfs/dbraw/zinc/09/02/73/939090273.db2.gz PGHWRZYYZFJILT-IYWMVGAKSA-N 2 0 366.590 3.839 20 0 FHADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316894 939109800 /nfs/dbraw/zinc/10/98/00/939109800.db2.gz HZJNPHGFUYDNCP-FCHUYYIVSA-N 2 0 366.553 3.800 20 0 FHADRP CCC[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320153 939110277 /nfs/dbraw/zinc/11/02/77/939110277.db2.gz OJFMTJKFQORLIX-NRFANRHFSA-N 2 0 355.570 3.753 20 0 FHADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319446 939111441 /nfs/dbraw/zinc/11/14/41/939111441.db2.gz AWBXWBOIGIYVEY-TZIWHRDSSA-N 2 0 364.537 3.689 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C)c1OC ZINC000658353364 939124213 /nfs/dbraw/zinc/12/42/13/939124213.db2.gz MGRJXHGTROBJLN-INIZCTEOSA-N 2 0 360.542 3.655 20 0 FHADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367532 939140830 /nfs/dbraw/zinc/14/08/30/939140830.db2.gz ICADYVIOJLCNGN-PMACEKPBSA-N 2 0 354.494 3.573 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507493788 945265720 /nfs/dbraw/zinc/26/57/20/945265720.db2.gz HXKJDPBKZNCXOC-HOTGVXAUSA-N 2 0 363.512 3.749 20 0 FHADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414902399 945266259 /nfs/dbraw/zinc/26/62/59/945266259.db2.gz HYMJULZYPCVSSV-QGZVFWFLSA-N 2 0 352.507 3.833 20 0 FHADRP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507487536 945274450 /nfs/dbraw/zinc/27/44/50/945274450.db2.gz RIRRBEAABZPHKY-XUVXKRRUSA-N 2 0 358.526 3.609 20 0 FHADRP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507508235 945287680 /nfs/dbraw/zinc/28/76/80/945287680.db2.gz JHQSITUYCKCNHE-ILWGZMRPSA-N 2 0 360.505 3.606 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000449001862 940123189 /nfs/dbraw/zinc/12/31/89/940123189.db2.gz GUDFMIPUNJHYCA-UHFFFAOYSA-N 2 0 363.590 3.656 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525205 945302168 /nfs/dbraw/zinc/30/21/68/945302168.db2.gz KAHWDBQJICOJPG-WWPVKYPJSA-N 2 0 353.554 3.504 20 0 FHADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)c2C1 ZINC000570216756 940206377 /nfs/dbraw/zinc/20/63/77/940206377.db2.gz WETQWDNJQQMTHW-IBGZPJMESA-N 2 0 369.484 3.868 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1cc3ccccc3o1)CC[NH2+]CC2 ZINC000643973765 940274385 /nfs/dbraw/zinc/27/43/85/940274385.db2.gz HORXZQVSOKSCOD-INIZCTEOSA-N 2 0 364.493 3.797 20 0 FHADRP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000376082351 940285788 /nfs/dbraw/zinc/28/57/88/940285788.db2.gz OABHCYBCDHGCNP-AVRDEDQJSA-N 2 0 369.553 3.545 20 0 FHADRP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000376082352 940285858 /nfs/dbraw/zinc/28/58/58/940285858.db2.gz OABHCYBCDHGCNP-GCJKJVERSA-N 2 0 369.553 3.545 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000647496569 940343044 /nfs/dbraw/zinc/34/30/44/940343044.db2.gz XUGUQAKDJARESD-ROUUACIJSA-N 2 0 364.493 4.000 20 0 FHADRP Fc1ccc(C2=CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000376178934 940427415 /nfs/dbraw/zinc/42/74/15/940427415.db2.gz VUDYOPBEGSLNNF-UWJYYQICSA-N 2 0 358.501 3.852 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431729521 940427456 /nfs/dbraw/zinc/42/74/56/940427456.db2.gz RBXDEWZBMYEBMU-DENIHFKCSA-N 2 0 371.569 3.942 20 0 FHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000531141753 940434006 /nfs/dbraw/zinc/43/40/06/940434006.db2.gz AGCNQSSZSADZPB-OAHLLOKOSA-N 2 0 374.481 3.582 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177805018 940446792 /nfs/dbraw/zinc/44/67/92/940446792.db2.gz ZYWPUFIFPITAGG-SFHVURJKSA-N 2 0 364.493 3.664 20 0 FHADRP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000685849507 940461335 /nfs/dbraw/zinc/46/13/35/940461335.db2.gz LIFNFEIQLMQXQC-LEWJYISDSA-N 2 0 358.526 3.551 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414093426 940498141 /nfs/dbraw/zinc/49/81/41/940498141.db2.gz NYYYRHQTMLOCGT-RZXSNQJFSA-N 2 0 362.945 3.944 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414099149 940505267 /nfs/dbraw/zinc/50/52/67/940505267.db2.gz JJQNTJDGKTZREH-QUCCMNQESA-N 2 0 363.977 3.982 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414108449 940510663 /nfs/dbraw/zinc/51/06/63/940510663.db2.gz LSEKQLSUEGDSEO-WAOWUJCRSA-N 2 0 353.510 3.521 20 0 FHADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCCC1 ZINC000613346294 940616491 /nfs/dbraw/zinc/61/64/91/940616491.db2.gz GNMWLMIPKFBRPC-UHFFFAOYSA-N 2 0 357.542 3.553 20 0 FHADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1Cl ZINC000796684150 945336051 /nfs/dbraw/zinc/33/60/51/945336051.db2.gz PPWGOIOKSHQMSK-APWZRJJASA-N 2 0 367.965 3.580 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000173536558 940638504 /nfs/dbraw/zinc/63/85/04/940638504.db2.gz CODLOCXSMZANBK-IBGZPJMESA-N 2 0 359.558 3.616 20 0 FHADRP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC[C@@H]1CCCC[NH+]1C ZINC000173952446 940689752 /nfs/dbraw/zinc/68/97/52/940689752.db2.gz JFIUDTFTJJWKGG-HNNXBMFYSA-N 2 0 355.885 3.614 20 0 FHADRP CC(C)C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000170643289 940762849 /nfs/dbraw/zinc/76/28/49/940762849.db2.gz ISYLTNKPEZACHA-UHFFFAOYSA-N 2 0 363.571 3.540 20 0 FHADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414294924 940909607 /nfs/dbraw/zinc/90/96/07/940909607.db2.gz CJSPFQIDYPRVBD-SFHVURJKSA-N 2 0 372.940 3.888 20 0 FHADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414294922 940909640 /nfs/dbraw/zinc/90/96/40/940909640.db2.gz CJSPFQIDYPRVBD-GOSISDBHSA-N 2 0 372.940 3.888 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000414296973 940913379 /nfs/dbraw/zinc/91/33/79/940913379.db2.gz FZYIFCCOGWNYHD-QGZVFWFLSA-N 2 0 366.496 3.817 20 0 FHADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311459 940942962 /nfs/dbraw/zinc/94/29/62/940942962.db2.gz VARSNTAQIITCBA-VGSWGCGISA-N 2 0 368.496 3.676 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000186283338 940974152 /nfs/dbraw/zinc/97/41/52/940974152.db2.gz KVQVQYRTANUCHL-QGZVFWFLSA-N 2 0 365.949 3.531 20 0 FHADRP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414325435 940975468 /nfs/dbraw/zinc/97/54/68/940975468.db2.gz MCYXWCYXJLKIPI-SFHVURJKSA-N 2 0 365.521 3.543 20 0 FHADRP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414333933 940988982 /nfs/dbraw/zinc/98/89/82/940988982.db2.gz WUHAJPXRTQFBLQ-INIZCTEOSA-N 2 0 371.550 3.605 20 0 FHADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414333934 940989005 /nfs/dbraw/zinc/98/90/05/940989005.db2.gz WUHAJPXRTQFBLQ-MRXNPFEDSA-N 2 0 371.550 3.605 20 0 FHADRP [NH3+]Cc1nn(-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)c2ccccc12 ZINC001167697967 941027741 /nfs/dbraw/zinc/02/77/41/941027741.db2.gz PXZGVTUWDHUDAA-UHFFFAOYSA-N 2 0 359.477 3.604 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134383518 941062192 /nfs/dbraw/zinc/06/21/92/941062192.db2.gz BEEUSLMPBINMCA-QGZVFWFLSA-N 2 0 356.341 3.598 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379150 941062456 /nfs/dbraw/zinc/06/24/56/941062456.db2.gz IKQGZNIGVUNNSR-RDTXWAMCSA-N 2 0 370.368 3.844 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543402 941065292 /nfs/dbraw/zinc/06/52/92/941065292.db2.gz MQJBYLAJUQZEDL-HOTGVXAUSA-N 2 0 352.906 3.569 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543563 941065398 /nfs/dbraw/zinc/06/53/98/941065398.db2.gz PMURTJNPVILZIR-IRXDYDNUSA-N 2 0 368.468 3.898 20 0 FHADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647545683 941068994 /nfs/dbraw/zinc/06/89/94/941068994.db2.gz DBNRHTIUYIFAEY-ROUUACIJSA-N 2 0 364.493 3.655 20 0 FHADRP c1ccc(COCc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647549403 941070950 /nfs/dbraw/zinc/07/09/50/941070950.db2.gz YEHGBESRLXYKFJ-AKIFATBCSA-N 2 0 350.506 3.881 20 0 FHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553152 941074045 /nfs/dbraw/zinc/07/40/45/941074045.db2.gz CWNKDZMJOAWXNQ-LBPRGKRZSA-N 2 0 351.263 3.768 20 0 FHADRP C[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000659378582 941242507 /nfs/dbraw/zinc/24/25/07/941242507.db2.gz FNDFNKCDLRZYOX-GCJKJVERSA-N 2 0 365.521 3.518 20 0 FHADRP C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781890 941323616 /nfs/dbraw/zinc/32/36/16/941323616.db2.gz HYVGBOZNIOPYES-AVCGJXAMSA-N 2 0 350.506 3.801 20 0 FHADRP C[C@@]1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000311568143 941332344 /nfs/dbraw/zinc/33/23/44/941332344.db2.gz ZLNHYWAXNXHAMV-IBGZPJMESA-N 2 0 369.475 3.515 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000376861194 941453613 /nfs/dbraw/zinc/45/36/13/941453613.db2.gz RNQRZVJWNAPHQV-VDHUWJSZSA-N 2 0 356.432 3.597 20 0 FHADRP OC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076719 941512893 /nfs/dbraw/zinc/51/28/93/941512893.db2.gz HRPYJKHMLLADMF-ROLQDKDTSA-N 2 0 362.517 3.993 20 0 FHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000415017985 941543730 /nfs/dbraw/zinc/54/37/30/941543730.db2.gz AWJCBQFPPDLVFB-IYARVYRRSA-N 2 0 367.541 3.915 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018852 941544147 /nfs/dbraw/zinc/54/41/47/941544147.db2.gz CVMYCZHPEJNTKP-MXVIHJGJSA-N 2 0 354.542 3.711 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000415027313 941549403 /nfs/dbraw/zinc/54/94/03/941549403.db2.gz AXNMHOOUQZIFRB-HOCLYGCPSA-N 2 0 357.885 3.809 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000415036086 941552335 /nfs/dbraw/zinc/55/23/35/941552335.db2.gz LHLJMHNWVNDSIU-JXFKEZNVSA-N 2 0 364.468 3.895 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000415036089 941552597 /nfs/dbraw/zinc/55/25/97/941552597.db2.gz LHLJMHNWVNDSIU-UZLBHIALSA-N 2 0 364.468 3.895 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000415043391 941561812 /nfs/dbraw/zinc/56/18/12/941561812.db2.gz RVCBBKQXARHQGS-IRXDYDNUSA-N 2 0 356.466 3.713 20 0 FHADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415052880 941568057 /nfs/dbraw/zinc/56/80/57/941568057.db2.gz LWFHTVXRBVCIRP-SBOSXTITSA-N 2 0 355.570 3.594 20 0 FHADRP Fc1cccc(-c2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)s2)c1 ZINC000415060090 941575197 /nfs/dbraw/zinc/57/51/97/941575197.db2.gz WDVZWKDHAUGBKJ-UHFFFAOYSA-N 2 0 373.541 3.860 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000415061919 941580095 /nfs/dbraw/zinc/58/00/95/941580095.db2.gz ZEDUBROQYMALNG-OAQYLSRUSA-N 2 0 352.457 3.640 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690438 941581568 /nfs/dbraw/zinc/58/15/68/941581568.db2.gz KGSXQRBWUXJARK-PKOBYXMFSA-N 2 0 372.488 3.930 20 0 FHADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415068659 941584778 /nfs/dbraw/zinc/58/47/78/941584778.db2.gz NILOSRUHOOIIEF-UHFFFAOYSA-N 2 0 352.507 3.833 20 0 FHADRP COc1cccc(C([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c2cccc(OC)c2)c1 ZINC000415074685 941586477 /nfs/dbraw/zinc/58/64/77/941586477.db2.gz ABFRAYKCOIFEGT-DLBZAZTESA-N 2 0 354.494 3.771 20 0 FHADRP C[C@H](C[C@@H]1CCC[NH2+]1)NCc1cc(Br)ccc1OC(F)F ZINC000415073985 941589285 /nfs/dbraw/zinc/58/92/85/941589285.db2.gz BPSOBAQWDPJYFV-MFKMUULPSA-N 2 0 363.246 3.671 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)sc1Br ZINC000415110463 941610733 /nfs/dbraw/zinc/61/07/33/941610733.db2.gz PBWGDJYMMMPLAF-CABCVRRESA-N 2 0 373.360 3.537 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)C1 ZINC000415118915 941614510 /nfs/dbraw/zinc/61/45/10/941614510.db2.gz DSNCEHXKHFFNOC-DOTOQJQBSA-N 2 0 360.395 3.563 20 0 FHADRP C[C@]1(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]C1 ZINC000415127567 941615866 /nfs/dbraw/zinc/61/58/66/941615866.db2.gz VZKWZHFFVSMHKC-SFHVURJKSA-N 2 0 356.341 3.547 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000415122051 941618679 /nfs/dbraw/zinc/61/86/79/941618679.db2.gz JHDYMAAOSKUYNE-SIKLNZKXSA-N 2 0 358.526 3.726 20 0 FHADRP CC(C)c1ccc(CC[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415123342 941618721 /nfs/dbraw/zinc/61/87/21/941618721.db2.gz ASTONZJTWVQTIS-UHFFFAOYSA-N 2 0 365.565 3.936 20 0 FHADRP Cc1cc(Cl)ccc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415134665 941621916 /nfs/dbraw/zinc/62/19/16/941621916.db2.gz PCZFCHWHVXBSBG-UHFFFAOYSA-N 2 0 357.929 3.732 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134855 941621929 /nfs/dbraw/zinc/62/19/29/941621929.db2.gz WHBPJZWFZRAFEH-APWZRJJASA-N 2 0 372.484 3.830 20 0 FHADRP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130417 941623421 /nfs/dbraw/zinc/62/34/21/941623421.db2.gz RAPGVMNTTZTUGC-FXAWDEMLSA-N 2 0 354.494 3.691 20 0 FHADRP CC(C)(C)c1cnc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415131868 941624653 /nfs/dbraw/zinc/62/46/53/941624653.db2.gz KBNMVTUNCOSWOL-UHFFFAOYSA-N 2 0 372.582 3.524 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000549230416 941682215 /nfs/dbraw/zinc/68/22/15/941682215.db2.gz CQBSHIAQKCRHNA-NRFANRHFSA-N 2 0 357.542 3.523 20 0 FHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958684 941716549 /nfs/dbraw/zinc/71/65/49/941716549.db2.gz IZECRZQJFFOQPA-JOCHJYFZSA-N 2 0 355.570 3.895 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000513203720 941779344 /nfs/dbraw/zinc/77/93/44/941779344.db2.gz IYOVIYLXICGJTG-RXVVDRJESA-N 2 0 365.606 3.509 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000513234700 941790750 /nfs/dbraw/zinc/79/07/50/941790750.db2.gz AWRATLNVSFOTQQ-UHFFFAOYSA-N 2 0 359.558 3.770 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)CC1 ZINC000093132648 941803304 /nfs/dbraw/zinc/80/33/04/941803304.db2.gz RESHXWCSTDJCHQ-LJQANCHMSA-N 2 0 373.541 3.766 20 0 FHADRP CC1CC[NH+](CCC[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000695280145 941814947 /nfs/dbraw/zinc/81/49/47/941814947.db2.gz ZLGHRZGOAXIIRG-UHFFFAOYSA-N 2 0 367.578 3.735 20 0 FHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000892977458 941831312 /nfs/dbraw/zinc/83/13/12/941831312.db2.gz NZDIWYQFWWKZJQ-KOVLHOQQSA-N 2 0 364.493 3.610 20 0 FHADRP C[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377628022 941854577 /nfs/dbraw/zinc/85/45/77/941854577.db2.gz QBBRQGXGVKENQW-IRXDYDNUSA-N 2 0 369.475 3.726 20 0 FHADRP C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513408490 941902794 /nfs/dbraw/zinc/90/27/94/941902794.db2.gz NKOZPFBNPQQEQY-CVEARBPZSA-N 2 0 361.496 3.646 20 0 FHADRP COCCOCc1ccc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc1 ZINC000377701586 941912451 /nfs/dbraw/zinc/91/24/51/941912451.db2.gz UCHBTLLKSCPEHD-OAQYLSRUSA-N 2 0 372.553 3.546 20 0 FHADRP C/C(=C/c1ccccc1)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000513449890 941937127 /nfs/dbraw/zinc/93/71/27/941937127.db2.gz BOKDQPGNGDILST-QOCHGBHMSA-N 2 0 363.549 3.840 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000513469152 941945841 /nfs/dbraw/zinc/94/58/41/941945841.db2.gz NHEJLLSSWJAISG-XXBNENTESA-N 2 0 351.538 3.891 20 0 FHADRP CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000513472269 941951481 /nfs/dbraw/zinc/95/14/81/941951481.db2.gz BGMFXFIBIDHYFL-LJQANCHMSA-N 2 0 369.553 3.987 20 0 FHADRP CCOc1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510284 941971980 /nfs/dbraw/zinc/97/19/80/941971980.db2.gz AWVLQYFUFFCFAP-UYAOXDASSA-N 2 0 353.510 3.871 20 0 FHADRP C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537526 941994560 /nfs/dbraw/zinc/99/45/60/941994560.db2.gz AHDJFWYOJOOFLD-YCRPNKLZSA-N 2 0 372.459 3.963 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000415789256 942053164 /nfs/dbraw/zinc/05/31/64/942053164.db2.gz NWCMDWBKADODDH-VLIAUNLRSA-N 2 0 352.482 3.577 20 0 FHADRP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000513655724 942058409 /nfs/dbraw/zinc/05/84/09/942058409.db2.gz NYLFQFGOXHCEIC-PWRODBHTSA-N 2 0 368.525 3.591 20 0 FHADRP OC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294323 942062482 /nfs/dbraw/zinc/06/24/82/942062482.db2.gz BYZKRHZGXUXXGK-DHIUTWEWSA-N 2 0 364.533 3.939 20 0 FHADRP CNC(=O)c1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000513684661 942075308 /nfs/dbraw/zinc/07/53/08/942075308.db2.gz UBIDVCNDOORZEQ-UHFFFAOYSA-N 2 0 365.521 3.579 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000415901940 942120749 /nfs/dbraw/zinc/12/07/49/942120749.db2.gz NVZZNBPSJRONJH-MRXNPFEDSA-N 2 0 372.538 3.501 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000415895874 942122992 /nfs/dbraw/zinc/12/29/92/942122992.db2.gz CEUXVKOLSDOAIV-UHFFFAOYSA-N 2 0 360.546 3.770 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000415899336 942124996 /nfs/dbraw/zinc/12/49/96/942124996.db2.gz JNFOROXGQHVDMU-OXJNMPFZSA-N 2 0 354.498 3.527 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000415898958 942126151 /nfs/dbraw/zinc/12/61/51/942126151.db2.gz IGJYWCHJHLLVAB-UHFFFAOYSA-N 2 0 372.538 3.501 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000415904168 942130805 /nfs/dbraw/zinc/13/08/05/942130805.db2.gz GIPJXQYYWOXCJV-NRFANRHFSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000415915820 942140341 /nfs/dbraw/zinc/14/03/41/942140341.db2.gz AEPKLRYEDRAUKO-UHFFFAOYSA-N 2 0 368.525 3.958 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000415915656 942140565 /nfs/dbraw/zinc/14/05/65/942140565.db2.gz FYDQRGUYFMTLMD-UHFFFAOYSA-N 2 0 374.916 3.655 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415916657 942142039 /nfs/dbraw/zinc/14/20/39/942142039.db2.gz HWSXWZLDTFNTQI-SFHVURJKSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000415939055 942170274 /nfs/dbraw/zinc/17/02/74/942170274.db2.gz ZTPIPCMMQJDJOQ-OAQYLSRUSA-N 2 0 368.525 3.684 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000415942921 942174137 /nfs/dbraw/zinc/17/41/37/942174137.db2.gz KSFUVKPXXNHRSG-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP [NH3+]Cc1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000415952757 942193324 /nfs/dbraw/zinc/19/33/24/942193324.db2.gz GFXQNDWDHBPLHW-UHFFFAOYSA-N 2 0 372.900 3.539 20 0 FHADRP CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415963059 942202283 /nfs/dbraw/zinc/20/22/83/942202283.db2.gz UTWUSIXVGPBNPK-NRFANRHFSA-N 2 0 368.525 3.768 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000415967289 942206329 /nfs/dbraw/zinc/20/63/29/942206329.db2.gz BCSZYVQXKRTMQJ-KRWDZBQOSA-N 2 0 372.538 3.501 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415972739 942210411 /nfs/dbraw/zinc/21/04/11/942210411.db2.gz ISTXBBRIOSYUHH-KRWDZBQOSA-N 2 0 358.530 3.654 20 0 FHADRP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)c2ccccc2)CC1 ZINC000415973673 942211714 /nfs/dbraw/zinc/21/17/14/942211714.db2.gz JVESBARTQMJJFD-NRFANRHFSA-N 2 0 366.509 3.740 20 0 FHADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415968919 942214091 /nfs/dbraw/zinc/21/40/91/942214091.db2.gz JGZVOPJSHKCDTQ-UHFFFAOYSA-N 2 0 372.435 3.504 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000415968484 942214473 /nfs/dbraw/zinc/21/44/73/942214473.db2.gz DFELFBHAFWAZHU-FQEVSTJZSA-N 2 0 358.530 3.572 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2ccncn2)CC1 ZINC000414472876 942217358 /nfs/dbraw/zinc/21/73/58/942217358.db2.gz UHKIMXGTVYNUNS-UHFFFAOYSA-N 2 0 352.526 3.814 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000415977354 942220192 /nfs/dbraw/zinc/22/01/92/942220192.db2.gz XOBQPQBJKBWDPE-LJQANCHMSA-N 2 0 358.530 3.526 20 0 FHADRP CC(C)C1CCC([NH+]2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000415978873 942221879 /nfs/dbraw/zinc/22/18/79/942221879.db2.gz PUWHGKLFXQEMFN-UHFFFAOYSA-N 2 0 358.530 3.510 20 0 FHADRP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415983077 942222768 /nfs/dbraw/zinc/22/27/68/942222768.db2.gz YXCCBDBKUJYLJJ-UWJYYQICSA-N 2 0 366.509 3.662 20 0 FHADRP CCN(C(=O)Nc1ccc(C[NH2+]C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415984154 942233017 /nfs/dbraw/zinc/23/30/17/942233017.db2.gz OWPTVRJRDHFBPP-NRFANRHFSA-N 2 0 366.509 3.534 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000415996933 942246491 /nfs/dbraw/zinc/24/64/91/942246491.db2.gz OJXFOAYHMHDORT-HNNXBMFYSA-N 2 0 352.482 3.541 20 0 FHADRP C[N@@H+](Cc1cn2cc(Cl)ccc2n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036880 942278592 /nfs/dbraw/zinc/27/85/92/942278592.db2.gz ZRGBFVBATPHFBF-UHFFFAOYSA-N 2 0 369.900 3.731 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000420980810 942279927 /nfs/dbraw/zinc/27/99/27/942279927.db2.gz MAHOKPCCMRMZPO-UHFFFAOYSA-N 2 0 363.977 3.765 20 0 FHADRP C[N@@H+](Cc1cnn(-c2ccccc2)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066749 942286674 /nfs/dbraw/zinc/28/66/74/942286674.db2.gz DRFSSUTUOVTEOE-UHFFFAOYSA-N 2 0 361.493 3.616 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974396 942286770 /nfs/dbraw/zinc/28/67/70/942286770.db2.gz DNPBSXJIBDKIHN-OAQYLSRUSA-N 2 0 361.961 3.819 20 0 FHADRP Cc1cc(C)cc(OCCC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000501098818 942306149 /nfs/dbraw/zinc/30/61/49/942306149.db2.gz DWMHIZYFSNKVAS-SZPZYZBQSA-N 2 0 373.585 3.563 20 0 FHADRP CC(C)[N@@H+]1CCc2nc(CNc3ccc(C[NH+](C)C)cc3F)sc2C1 ZINC000414496950 942330490 /nfs/dbraw/zinc/33/04/90/942330490.db2.gz JJLDPZQQKAGIJA-UHFFFAOYSA-N 2 0 362.518 3.722 20 0 FHADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000502268816 942336128 /nfs/dbraw/zinc/33/61/28/942336128.db2.gz MVDDBUVNHJONOX-QFIPXVFZSA-N 2 0 371.569 3.528 20 0 FHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000419678099 942347004 /nfs/dbraw/zinc/34/70/04/942347004.db2.gz PALQKHUGFBAHHE-YZMLUHFISA-N 2 0 356.554 3.926 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@H]3CCC[N@@H+]3C)c2)CC1 ZINC000421080124 942347394 /nfs/dbraw/zinc/34/73/94/942347394.db2.gz DAFNTDOVLPVVBY-OAQYLSRUSA-N 2 0 372.557 3.519 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183676 942370214 /nfs/dbraw/zinc/37/02/14/942370214.db2.gz JKJCOJMRSZMWMZ-YGWPLHOASA-N 2 0 366.933 3.507 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148228 942398831 /nfs/dbraw/zinc/39/88/31/942398831.db2.gz ZLRQJVYWESGIDG-KOUHRCEDSA-N 2 0 357.542 3.543 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501340325 942408850 /nfs/dbraw/zinc/40/88/50/942408850.db2.gz IGXDRZZOPHCJCG-NRFANRHFSA-N 2 0 359.558 3.650 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168462 942436250 /nfs/dbraw/zinc/43/62/50/942436250.db2.gz YFYXLVQLYHFLFK-URVUXULASA-N 2 0 371.569 3.792 20 0 FHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000501386136 942454160 /nfs/dbraw/zinc/45/41/60/942454160.db2.gz JTGVQYSVBGVGBT-RXVVDRJESA-N 2 0 353.510 3.838 20 0 FHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829966 942480733 /nfs/dbraw/zinc/48/07/33/942480733.db2.gz BSCXFFRAUKXJEU-MNOVXSKESA-N 2 0 365.827 3.521 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000501491935 942500940 /nfs/dbraw/zinc/50/09/40/942500940.db2.gz PPLZFAGPQYJRHQ-IYICPGQYSA-N 2 0 370.459 3.935 20 0 FHADRP Brc1cccc(-c2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000414834876 942516418 /nfs/dbraw/zinc/51/64/18/942516418.db2.gz RBICPYUTFBFDDF-LBPRGKRZSA-N 2 0 366.328 3.662 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370543 942521715 /nfs/dbraw/zinc/52/17/15/942521715.db2.gz JSERPUWHVZZOJB-VNCLNFNDSA-N 2 0 365.949 3.539 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000421376868 942527646 /nfs/dbraw/zinc/52/76/46/942527646.db2.gz QZXNHMAIVXTNDW-UHFFFAOYSA-N 2 0 367.940 3.514 20 0 FHADRP CCSc1cccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421378907 942528852 /nfs/dbraw/zinc/52/88/52/942528852.db2.gz UCKMLSKIGUVRDU-UHFFFAOYSA-N 2 0 361.599 3.791 20 0 FHADRP CCOc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(Br)c1O ZINC000421378891 942529136 /nfs/dbraw/zinc/52/91/36/942529136.db2.gz UBANXHKYTJKZRL-UHFFFAOYSA-N 2 0 371.319 3.516 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1C ZINC000513817714 942535436 /nfs/dbraw/zinc/53/54/36/942535436.db2.gz NFUFRYVZXDBOBQ-UHFFFAOYSA-N 2 0 372.553 3.749 20 0 FHADRP COc1ccc(OC)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000395804019 942536549 /nfs/dbraw/zinc/53/65/49/942536549.db2.gz CDYSBMJLDIIWJH-CTNGQTDRSA-N 2 0 366.505 3.658 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CC12CCSCC2)C1CC[NH+](C)CC1 ZINC000421384299 942538189 /nfs/dbraw/zinc/53/81/89/942538189.db2.gz PBANEKJPEIJIRB-IBGZPJMESA-N 2 0 373.610 3.840 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414843187 942571413 /nfs/dbraw/zinc/57/14/13/942571413.db2.gz PUWNEIGVKGWWFB-QGZVFWFLSA-N 2 0 370.541 3.793 20 0 FHADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000420300390 942609716 /nfs/dbraw/zinc/60/97/16/942609716.db2.gz KGABTBOLOBBDSH-VJBMBRPKSA-N 2 0 363.505 3.626 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300688 942609986 /nfs/dbraw/zinc/60/99/86/942609986.db2.gz KJBSOHGPMSBLFV-PKOBYXMFSA-N 2 0 356.535 3.852 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302357 942611087 /nfs/dbraw/zinc/61/10/87/942611087.db2.gz JSNZCQMQGUPUPP-UYAOXDASSA-N 2 0 370.493 3.592 20 0 FHADRP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420300082 942611144 /nfs/dbraw/zinc/61/11/44/942611144.db2.gz HBBFRHQSQKXZOW-SBUREZEXSA-N 2 0 366.505 3.651 20 0 FHADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305873 942613049 /nfs/dbraw/zinc/61/30/49/942613049.db2.gz GXPBGIDFRVAVPZ-OXJNMPFZSA-N 2 0 355.457 3.566 20 0 FHADRP C[NH2+]CCC1CC[NH+](CC2(COc3cccc(COC)c3)CCC2)CC1 ZINC000420309596 942613812 /nfs/dbraw/zinc/61/38/12/942613812.db2.gz OTAWKBUAHLNLMK-UHFFFAOYSA-N 2 0 360.542 3.704 20 0 FHADRP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420316750 942617644 /nfs/dbraw/zinc/61/76/44/942617644.db2.gz NOHBHTRENOZUMF-SVMVAKDDSA-N 2 0 359.473 3.633 20 0 FHADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420317114 942619041 /nfs/dbraw/zinc/61/90/41/942619041.db2.gz NESPUDWVPAQEFJ-ZDUSSCGKSA-N 2 0 358.313 3.644 20 0 FHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cccc3[nH]ccc32)[C@@H](c2ccccc2)C1 ZINC000237082467 942620759 /nfs/dbraw/zinc/62/07/59/942620759.db2.gz YQLBIKMIEGVNFG-HSZRJFAPSA-N 2 0 362.521 3.636 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC12CCOCC2 ZINC000420337932 942622994 /nfs/dbraw/zinc/62/29/94/942622994.db2.gz XKRKWHOWJSAZHO-LJQANCHMSA-N 2 0 352.478 3.666 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340180 942623917 /nfs/dbraw/zinc/62/39/17/942623917.db2.gz MTDUBIPXOZSIRM-FHWLQOOXSA-N 2 0 357.542 3.767 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343721 942625644 /nfs/dbraw/zinc/62/56/44/942625644.db2.gz ZZSAEUDSWYVRKC-QGZVFWFLSA-N 2 0 358.507 3.652 20 0 FHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326196 942629390 /nfs/dbraw/zinc/62/93/90/942629390.db2.gz XIDNCCTYZPQDMN-CHWSQXEVSA-N 2 0 360.914 3.885 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332017 942631645 /nfs/dbraw/zinc/63/16/45/942631645.db2.gz RDJFNCIOWMVSRZ-LSDHHAIUSA-N 2 0 358.507 3.509 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368963 942642957 /nfs/dbraw/zinc/64/29/57/942642957.db2.gz XEIWTMMAXBUQFF-IBGZPJMESA-N 2 0 372.484 3.558 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000420376031 942645549 /nfs/dbraw/zinc/64/55/49/942645549.db2.gz JLBVWOGEWVIZMJ-ROUUACIJSA-N 2 0 354.947 3.650 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1OC ZINC000502688456 942645748 /nfs/dbraw/zinc/64/57/48/942645748.db2.gz ZMTAPIRIATZDNV-QGZVFWFLSA-N 2 0 356.510 3.795 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000420379580 942646069 /nfs/dbraw/zinc/64/60/69/942646069.db2.gz BFJJAEGRBPBQSP-FUHWJXTLSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420377987 942646136 /nfs/dbraw/zinc/64/61/36/942646136.db2.gz TZDBQZAYTIRSGJ-RKVPGOIHSA-N 2 0 367.331 3.601 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1F ZINC000420379985 942647592 /nfs/dbraw/zinc/64/75/92/942647592.db2.gz BXYSNNKTUUADKT-PKOBYXMFSA-N 2 0 372.488 3.581 20 0 FHADRP CC(C)(C)c1cccc(OCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420384897 942649075 /nfs/dbraw/zinc/64/90/75/942649075.db2.gz HENNXZQJNOZZGV-FPOVZHCZSA-N 2 0 360.542 3.581 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420388593 942650553 /nfs/dbraw/zinc/65/05/53/942650553.db2.gz XDDQLAUUYJTTIL-FSPWUOQZSA-N 2 0 356.432 3.985 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000420394603 942653539 /nfs/dbraw/zinc/65/35/39/942653539.db2.gz RYJJTLJQNFYXCF-GMAHTHKFSA-N 2 0 368.521 3.827 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403721 942661903 /nfs/dbraw/zinc/66/19/03/942661903.db2.gz RMWSMUPKZWQHLH-WIYYLYMNSA-N 2 0 351.494 3.632 20 0 FHADRP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406029 942663526 /nfs/dbraw/zinc/66/35/26/942663526.db2.gz NIBKMQDWNKNVFW-UWVAXJGDSA-N 2 0 351.494 3.917 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409525 942665188 /nfs/dbraw/zinc/66/51/88/942665188.db2.gz XESHWCGJWBTYSZ-DYVFJYSZSA-N 2 0 370.324 3.786 20 0 FHADRP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501774066 942666917 /nfs/dbraw/zinc/66/69/17/942666917.db2.gz JGELKILQOQVATH-HNNXBMFYSA-N 2 0 351.922 3.721 20 0 FHADRP C[C@H]([NH3+])c1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000429591481 942679639 /nfs/dbraw/zinc/67/96/39/942679639.db2.gz RAALQJBPIIOYIM-HNNXBMFYSA-N 2 0 355.507 3.507 20 0 FHADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000378399246 942718237 /nfs/dbraw/zinc/71/82/37/942718237.db2.gz FHMDIDSALQVZLY-JXFKEZNVSA-N 2 0 370.493 3.810 20 0 FHADRP COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000378399266 942718716 /nfs/dbraw/zinc/71/87/16/942718716.db2.gz FHMDIDSALQVZLY-OXJNMPFZSA-N 2 0 370.493 3.810 20 0 FHADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCCO[C@@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081772 942732829 /nfs/dbraw/zinc/73/28/29/942732829.db2.gz CSWSQXOIEHMSGX-XPWALMASSA-N 2 0 372.553 3.906 20 0 FHADRP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000514086958 942737098 /nfs/dbraw/zinc/73/70/98/942737098.db2.gz DTODDCUXQKETIO-OAHLLOKOSA-N 2 0 358.507 3.981 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)c1OC ZINC000514105578 942748881 /nfs/dbraw/zinc/74/88/81/942748881.db2.gz SGAUAABASSMFCN-KRWDZBQOSA-N 2 0 372.509 3.803 20 0 FHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000514106165 942750225 /nfs/dbraw/zinc/75/02/25/942750225.db2.gz WIZMEBBCTYBACL-WZYRSQIMSA-N 3 0 355.570 3.609 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000434598953 942788718 /nfs/dbraw/zinc/78/87/18/942788718.db2.gz QOANSOTYKCAJDN-UHFFFAOYSA-N 2 0 367.484 3.737 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470060 942800674 /nfs/dbraw/zinc/80/06/74/942800674.db2.gz AQJCOMFDUQHUEF-XPIZARPCSA-N 2 0 352.482 3.900 20 0 FHADRP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CCC2 ZINC000280948206 942819889 /nfs/dbraw/zinc/81/98/89/942819889.db2.gz INFNCINUNLLWEH-QHCPKHFHSA-N 2 0 366.505 3.516 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1cccc(Cl)c1 ZINC000421876745 942861261 /nfs/dbraw/zinc/86/12/61/942861261.db2.gz LBNYMNJZWNEICK-NVPAJSRCSA-N 2 0 361.921 3.753 20 0 FHADRP COC(=O)[C@H](c1ccccc1C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687255 942865584 /nfs/dbraw/zinc/86/55/84/942865584.db2.gz CPPDDASPYFQONL-FQEVSTJZSA-N 2 0 367.493 3.622 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCCCC1 ZINC000414850414 942871868 /nfs/dbraw/zinc/87/18/68/942871868.db2.gz YYNCWLDVJHFZIB-ZDUSSCGKSA-N 2 0 357.420 3.674 20 0 FHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000425154073 942880158 /nfs/dbraw/zinc/88/01/58/942880158.db2.gz GSXRAVIKRWSQPY-WOJBJXKFSA-N 2 0 368.525 3.703 20 0 FHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000425154071 942880332 /nfs/dbraw/zinc/88/03/32/942880332.db2.gz GSXRAVIKRWSQPY-VQTJNVASSA-N 2 0 368.525 3.703 20 0 FHADRP C[C@H](Cc1ccccc1F)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363862134 942883861 /nfs/dbraw/zinc/88/38/61/942883861.db2.gz GWDUYBBRMYJAOC-GOSISDBHSA-N 2 0 361.549 3.543 20 0 FHADRP Cc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113728 942926977 /nfs/dbraw/zinc/92/69/77/942926977.db2.gz NNWWEKKREYJUMS-QHCPKHFHSA-N 2 0 365.521 3.805 20 0 FHADRP C[C@H]1C[C@H]1[N@@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115953 942928566 /nfs/dbraw/zinc/92/85/66/942928566.db2.gz HDKLWEYTKJVOAH-RZUBCFFCSA-N 2 0 357.586 3.807 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@H]12 ZINC000503078928 942961241 /nfs/dbraw/zinc/96/12/41/942961241.db2.gz BKKVRRFFGZWNSN-XAYQJVIWSA-N 2 0 363.590 3.655 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000503150809 943008330 /nfs/dbraw/zinc/00/83/30/943008330.db2.gz IKJKZVDRIOKTGS-GOSISDBHSA-N 2 0 374.573 3.680 20 0 FHADRP COc1cc(CN[C@H](C[NH3+])C2CCCCC2)ccc1OCc1ccncc1 ZINC000414856973 943030481 /nfs/dbraw/zinc/03/04/81/943030481.db2.gz ZVHPHXITIBMAGZ-HXUWFJFHSA-N 2 0 369.509 3.666 20 0 FHADRP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000396348392 943035217 /nfs/dbraw/zinc/03/52/17/943035217.db2.gz FEJLLRDXCZSYQQ-LMDPOFIKSA-N 2 0 370.459 3.724 20 0 FHADRP CC(C)[N@@H+]1CCc2nc(CN3C[C@H](C)[NH2+]Cc4ccc(F)cc43)sc2C1 ZINC000414865935 943138059 /nfs/dbraw/zinc/13/80/59/943138059.db2.gz GEHHXFXRCJISFQ-AWEZNQCLSA-N 2 0 374.529 3.547 20 0 FHADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414865687 943143100 /nfs/dbraw/zinc/14/31/00/943143100.db2.gz ZMTGZZJKWHTMOA-XLIONFOSSA-N 2 0 354.494 3.752 20 0 FHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414667243 943170673 /nfs/dbraw/zinc/17/06/73/943170673.db2.gz XYRRBQRPAAHCBX-OAQYLSRUSA-N 2 0 363.509 3.740 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272664835 943197071 /nfs/dbraw/zinc/19/70/71/943197071.db2.gz IVPWQFADJDKAFI-QKNQBKEWSA-N 2 0 371.569 3.827 20 0 FHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000422638932 943206718 /nfs/dbraw/zinc/20/67/18/943206718.db2.gz RUWDMSMEGKDSJZ-HLIPFELVSA-N 2 0 351.494 3.744 20 0 FHADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636162 943215845 /nfs/dbraw/zinc/21/58/45/943215845.db2.gz MOCKVJNSPDNZFR-GGPKGHCWSA-N 2 0 365.521 3.987 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000514687377 943217045 /nfs/dbraw/zinc/21/70/45/943217045.db2.gz QDMBHPTWFOABIQ-ZDUSSCGKSA-N 2 0 357.311 3.982 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000514687373 943217060 /nfs/dbraw/zinc/21/70/60/943217060.db2.gz QDMBHPTWFOABIQ-CYBMUJFWSA-N 2 0 357.311 3.982 20 0 FHADRP CC1(C)CCC[C@@H](C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000514694260 943226814 /nfs/dbraw/zinc/22/68/14/943226814.db2.gz YFROWLIBOJORIR-LJQANCHMSA-N 2 0 363.590 3.517 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc(Br)ccc1F ZINC000422700438 943237627 /nfs/dbraw/zinc/23/76/27/943237627.db2.gz HCCWEJOJBMGLOU-FZKQIMNGSA-N 2 0 365.290 3.679 20 0 FHADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c21 ZINC000422708617 943242004 /nfs/dbraw/zinc/24/20/04/943242004.db2.gz CBGGAYCZCQADLL-NFBKMPQASA-N 2 0 361.489 3.864 20 0 FHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710517 943243802 /nfs/dbraw/zinc/24/38/02/943243802.db2.gz FYUNNJFCOFAJJO-OFNKIYASSA-N 2 0 360.505 3.815 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000422694011 943247566 /nfs/dbraw/zinc/24/75/66/943247566.db2.gz NEHMTXBRMYRYCM-AEFFLSMTSA-N 2 0 355.482 3.750 20 0 FHADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713379 943254067 /nfs/dbraw/zinc/25/40/67/943254067.db2.gz JOIXIEWTJPORLM-KAOXLYBCSA-N 2 0 373.585 3.596 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)ccn2)cc1 ZINC000422716003 943254783 /nfs/dbraw/zinc/25/47/83/943254783.db2.gz TZEHDUNPOMGTMG-UZLBHIALSA-N 2 0 355.482 3.750 20 0 FHADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422715573 943255226 /nfs/dbraw/zinc/25/52/26/943255226.db2.gz SGVLOSFGGMNHOA-DNVJHFABSA-N 2 0 372.553 3.783 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727135 943261389 /nfs/dbraw/zinc/26/13/89/943261389.db2.gz GVYZEPOUMMMRCE-KURKYZTESA-N 2 0 355.448 3.529 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)CC[NH2+]CC1 ZINC000422760852 943264032 /nfs/dbraw/zinc/26/40/32/943264032.db2.gz MGGVUACILBJCEE-IAGOWNOFSA-N 2 0 354.494 3.812 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000422739054 943265513 /nfs/dbraw/zinc/26/55/13/943265513.db2.gz ZUSHXFKQCOBBIG-ZIAGYGMSSA-N 2 0 372.431 3.677 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000422738565 943266731 /nfs/dbraw/zinc/26/67/31/943266731.db2.gz JVOXSWXLHKGTKJ-RBOXIYTFSA-N 2 0 373.360 3.576 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755479 943274049 /nfs/dbraw/zinc/27/40/49/943274049.db2.gz HYVXVFVGZOFTEB-KSPVPNAGSA-N 2 0 371.569 3.588 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422768320 943275183 /nfs/dbraw/zinc/27/51/83/943275183.db2.gz NTIGZHXIFPVKBQ-CEMLEFRQSA-N 2 0 352.526 3.890 20 0 FHADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768283 943275629 /nfs/dbraw/zinc/27/56/29/943275629.db2.gz RXXXUEOASCRAGR-XLIONFOSSA-N 2 0 358.869 3.694 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCOCC2)c1 ZINC000422769558 943276260 /nfs/dbraw/zinc/27/62/60/943276260.db2.gz VGNFVQFQVYOIJJ-VAMGGRTRSA-N 2 0 362.945 3.899 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000422771913 943277468 /nfs/dbraw/zinc/27/74/68/943277468.db2.gz WHMCIEWAFWIART-KCZVDYSFSA-N 2 0 373.585 3.787 20 0 FHADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000422773432 943278543 /nfs/dbraw/zinc/27/85/43/943278543.db2.gz YQEGAEMJISOTSW-ZHHKINOHSA-N 2 0 373.585 3.643 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422777977 943279238 /nfs/dbraw/zinc/27/92/38/943279238.db2.gz DEUPHFFPHDFKOD-OXQOHEQNSA-N 2 0 351.519 3.901 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422784660 943281589 /nfs/dbraw/zinc/28/15/89/943281589.db2.gz IZTCVJOLZRQBJA-YMPZKCBVSA-N 2 0 366.553 3.949 20 0 FHADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802862 943289121 /nfs/dbraw/zinc/28/91/21/943289121.db2.gz FELUGOJTGHRKDR-HSALFYBXSA-N 2 0 352.526 3.701 20 0 FHADRP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422813066 943291396 /nfs/dbraw/zinc/29/13/96/943291396.db2.gz XIGONVSRXNPTBR-XLIONFOSSA-N 2 0 358.482 3.893 20 0 FHADRP Cc1noc(C)c1[C@H](C)NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894276236 943292449 /nfs/dbraw/zinc/29/24/49/943292449.db2.gz HMZFOUGDLFRYLN-JTQLQIEISA-N 2 0 367.396 3.525 20 0 FHADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422813375 943293245 /nfs/dbraw/zinc/29/32/45/943293245.db2.gz YAOXJGGZULUTEW-PERKRYKHSA-N 2 0 353.510 3.976 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422791666 943294103 /nfs/dbraw/zinc/29/41/03/943294103.db2.gz QMXGCQBQHNSQKP-KRWDZBQOSA-N 3 0 352.526 3.685 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCc1cccc2cccnc21 ZINC000422819794 943295672 /nfs/dbraw/zinc/29/56/72/943295672.db2.gz OEJIHGDQECZMBP-OFNKIYASSA-N 2 0 359.473 3.623 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422829305 943297073 /nfs/dbraw/zinc/29/70/73/943297073.db2.gz BRKGSBJHJYESLA-HFSMHLIXSA-N 2 0 357.567 3.508 20 0 FHADRP C[C@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C1CCCCC1 ZINC000549461906 943299049 /nfs/dbraw/zinc/29/90/49/943299049.db2.gz VRRKCBTURBMJFR-GOSISDBHSA-N 2 0 365.606 3.619 20 0 FHADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422815423 943302507 /nfs/dbraw/zinc/30/25/07/943302507.db2.gz BOTUDWIQWVRZFE-KZNAEPCWSA-N 2 0 361.496 3.551 20 0 FHADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422851326 943305839 /nfs/dbraw/zinc/30/58/39/943305839.db2.gz FGMREOHOJXUJFW-QHAWAJNXSA-N 2 0 360.542 3.811 20 0 FHADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422851325 943305983 /nfs/dbraw/zinc/30/59/83/943305983.db2.gz FGMREOHOJXUJFW-PWRODBHTSA-N 2 0 360.542 3.811 20 0 FHADRP CC(C)[C@@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCC(C)CC1 ZINC000422851544 943306331 /nfs/dbraw/zinc/30/63/31/943306331.db2.gz XCASCPVLQPSVHN-XJUOHMSHSA-N 2 0 371.569 3.588 20 0 FHADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422855828 943307108 /nfs/dbraw/zinc/30/71/08/943307108.db2.gz FHMBFVPMNJQZEB-FDFHNCONSA-N 2 0 360.542 3.640 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000422854559 943307146 /nfs/dbraw/zinc/30/71/46/943307146.db2.gz BCYDKUYJNNIRCV-ILWGZMRPSA-N 2 0 356.554 3.944 20 0 FHADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422855829 943307434 /nfs/dbraw/zinc/30/74/34/943307434.db2.gz FHMBFVPMNJQZEB-YPAWHYETSA-N 2 0 360.542 3.640 20 0 FHADRP c1ccc(Oc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422857441 943307825 /nfs/dbraw/zinc/30/78/25/943307825.db2.gz HPWVCCIQWPPIIP-FDFHNCONSA-N 2 0 352.478 3.726 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)n1 ZINC000422868301 943310935 /nfs/dbraw/zinc/31/09/35/943310935.db2.gz UVEPZBNEQQJBDS-CVDCTZTESA-N 2 0 362.521 3.580 20 0 FHADRP c1ccc(C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422841893 943311498 /nfs/dbraw/zinc/31/14/98/943311498.db2.gz XBBKXXLBIOMQEX-NAVOZUGXSA-N 2 0 364.533 3.760 20 0 FHADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C(F)(F)F)c1 ZINC000422877549 943314339 /nfs/dbraw/zinc/31/43/39/943314339.db2.gz IAGWJFNDUBWQDV-NSHDSACASA-N 2 0 353.388 3.727 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422879396 943314511 /nfs/dbraw/zinc/31/45/11/943314511.db2.gz KHXGDRODLPHYOA-SXLOBPIMSA-N 2 0 355.551 3.565 20 0 FHADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422891675 943316240 /nfs/dbraw/zinc/31/62/40/943316240.db2.gz LKEKZUWCDOXKIO-XPWALMASSA-N 2 0 366.505 3.512 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCCC[C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422886551 943318466 /nfs/dbraw/zinc/31/84/66/943318466.db2.gz WXLOJGWCKPLPSE-COPCDDAFSA-N 2 0 359.558 3.733 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(O[C@H]2CCOC2)c1 ZINC000422871534 943321855 /nfs/dbraw/zinc/32/18/55/943321855.db2.gz DAMPBEVDBJUJPO-JSXRDJHFSA-N 2 0 358.526 3.563 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422875023 943323303 /nfs/dbraw/zinc/32/33/03/943323303.db2.gz BHSPOEBOKSTSQH-GVDBMIGSSA-N 2 0 368.468 3.740 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422911224 943328555 /nfs/dbraw/zinc/32/85/55/943328555.db2.gz KKJUMUFQEVVDAN-DNVJHFABSA-N 3 0 371.569 3.562 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCC3)cc1 ZINC000422913750 943329467 /nfs/dbraw/zinc/32/94/67/943329467.db2.gz ZHZKDGOOTDJJAG-WBVHZDCISA-N 2 0 357.523 3.928 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916844 943330212 /nfs/dbraw/zinc/33/02/12/943330212.db2.gz BQXAAXKXGSDOKM-KBRIMQKVSA-N 2 0 354.897 3.503 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894381 943331421 /nfs/dbraw/zinc/33/14/21/943331421.db2.gz TVJJXKCQICGWAR-FXAWDEMLSA-N 2 0 355.457 3.685 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1Oc2ccccc2[C@@H]1C ZINC000422922566 943332503 /nfs/dbraw/zinc/33/25/03/943332503.db2.gz UAMFBIRIBKKZQO-ROJSEGHPSA-N 2 0 364.489 3.785 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1OCCCO2 ZINC000422924717 943333254 /nfs/dbraw/zinc/33/32/54/943333254.db2.gz BARIRBMAWFIAFV-CGTJXYLNSA-N 2 0 364.917 3.902 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1OCCCO2 ZINC000422924718 943333377 /nfs/dbraw/zinc/33/33/77/943333377.db2.gz BARIRBMAWFIAFV-KBAYOESNSA-N 2 0 364.917 3.902 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422927593 943334767 /nfs/dbraw/zinc/33/47/67/943334767.db2.gz ZEBDJMXXJYUVQE-RJGXRXQPSA-N 2 0 366.505 3.609 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414704956 943336465 /nfs/dbraw/zinc/33/64/65/943336465.db2.gz DZLKEBRAKCGVTC-QGZVFWFLSA-N 2 0 368.472 3.555 20 0 FHADRP Clc1cccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935748 943337823 /nfs/dbraw/zinc/33/78/23/943337823.db2.gz DNGYXISCDZPICL-AZUAARDMSA-N 2 0 358.869 3.564 20 0 FHADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422940835 943339569 /nfs/dbraw/zinc/33/95/69/943339569.db2.gz JHRXVLGADWUUFC-DENIHFKCSA-N 2 0 352.478 3.528 20 0 FHADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422962618 943342853 /nfs/dbraw/zinc/34/28/53/943342853.db2.gz CWJJQJSQWXQPTH-BRKWEVRTSA-N 2 0 356.558 3.507 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414707260 943342949 /nfs/dbraw/zinc/34/29/49/943342949.db2.gz HLRHGXUWFMKGDP-MJGOQNOKSA-N 2 0 370.541 3.524 20 0 FHADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422962621 943342972 /nfs/dbraw/zinc/34/29/72/943342972.db2.gz CWJJQJSQWXQPTH-XYEHWOGUSA-N 2 0 356.558 3.507 20 0 FHADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)C[C@@H](C)O1 ZINC000422958869 943349979 /nfs/dbraw/zinc/34/99/79/943349979.db2.gz ZDPHSYDNJMGGIO-YHXSNJQLSA-N 2 0 357.542 3.628 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435374236 943355622 /nfs/dbraw/zinc/35/56/22/943355622.db2.gz XAFOIUMMWVZLJP-KDOFPFPSSA-N 2 0 360.933 3.761 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374271 943356067 /nfs/dbraw/zinc/35/60/67/943356067.db2.gz PXIZCIMUQPTWSY-CVEARBPZSA-N 2 0 352.507 3.770 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422978502 943357381 /nfs/dbraw/zinc/35/73/81/943357381.db2.gz HMOOKLWXDRBEIH-WIYYLYMNSA-N 2 0 359.558 3.614 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000422982536 943357868 /nfs/dbraw/zinc/35/78/68/943357868.db2.gz RALVDBBVDFHYER-CJNGLKHVSA-N 2 0 363.527 3.532 20 0 FHADRP CC(C)C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000425361630 943359104 /nfs/dbraw/zinc/35/91/04/943359104.db2.gz ZQRCIRPTJNZONX-QGZVFWFLSA-N 2 0 361.530 3.644 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422996860 943359468 /nfs/dbraw/zinc/35/94/68/943359468.db2.gz ACTBKYXVXBMPMA-JHVJFLLYSA-N 2 0 358.457 3.502 20 0 FHADRP CCC1(C[NH2+][C@H](C)c2cnccc2N)CC[NH+](Cc2ccccc2)CC1 ZINC000423004170 943362268 /nfs/dbraw/zinc/36/22/68/943362268.db2.gz OIEKQLDVORFQTD-GOSISDBHSA-N 2 0 352.526 3.837 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423016030 943365230 /nfs/dbraw/zinc/36/52/30/943365230.db2.gz SDPCIBFRLXBRIS-FZMZJTMJSA-N 2 0 365.827 3.500 20 0 FHADRP C[NH2+]C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000435372729 943365258 /nfs/dbraw/zinc/36/52/58/943365258.db2.gz BZCUFDUYUBKVMD-UHFFFAOYSA-N 2 0 364.468 3.862 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017681 943365902 /nfs/dbraw/zinc/36/59/02/943365902.db2.gz PJGGTFLOQNZZQS-YXKWSERDSA-N 2 0 363.864 3.822 20 0 FHADRP CC[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423022467 943366899 /nfs/dbraw/zinc/36/68/99/943366899.db2.gz HSEPYYAAERTELD-UDTPNQRGSA-N 2 0 353.913 3.592 20 0 FHADRP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423021528 943367613 /nfs/dbraw/zinc/36/76/13/943367613.db2.gz FQMDLQUBULFPSO-OSGQAZFXSA-N 2 0 353.913 3.579 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435379133 943367922 /nfs/dbraw/zinc/36/79/22/943367922.db2.gz LBTCEFABCXZWSA-YOEHRIQHSA-N 2 0 360.933 3.761 20 0 FHADRP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423047868 943368463 /nfs/dbraw/zinc/36/84/63/943368463.db2.gz HJHGWFUYHVRLNA-CPUCHLNUSA-N 2 0 357.336 3.502 20 0 FHADRP C[N@@H+]1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022945 943369246 /nfs/dbraw/zinc/36/92/46/943369246.db2.gz ISHIISYELWPADL-AXUOBQJMSA-N 2 0 353.913 3.722 20 0 FHADRP CCCCCn1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423029318 943370680 /nfs/dbraw/zinc/37/06/80/943370680.db2.gz UQYCIELTYOJFQU-RBBKRZOGSA-N 2 0 368.525 3.727 20 0 FHADRP CCCCCn1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423029319 943371582 /nfs/dbraw/zinc/37/15/82/943371582.db2.gz UQYCIELTYOJFQU-UNMCSNQZSA-N 2 0 368.525 3.727 20 0 FHADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033135 943372149 /nfs/dbraw/zinc/37/21/49/943372149.db2.gz WTCQNGZFQDGEPA-FYXRHKGBSA-N 2 0 370.468 3.747 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CCCCC1 ZINC000423032753 943372792 /nfs/dbraw/zinc/37/27/92/943372792.db2.gz YOCZADHFVOBVCU-FRQCXROJSA-N 2 0 350.934 3.884 20 0 FHADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414713291 943374162 /nfs/dbraw/zinc/37/41/62/943374162.db2.gz ONLHBQHBMSQJOG-SJORKVTESA-N 2 0 358.530 3.652 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000660159331 943374287 /nfs/dbraw/zinc/37/42/87/943374287.db2.gz SMTJXLYDWLGGIC-LJQANCHMSA-N 2 0 361.555 3.543 20 0 FHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423043972 943375688 /nfs/dbraw/zinc/37/56/88/943375688.db2.gz QHMGCPDXQOZSRP-JQVVWYNYSA-N 2 0 368.452 3.885 20 0 FHADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OC(C)C ZINC000423056922 943376873 /nfs/dbraw/zinc/37/68/73/943376873.db2.gz YGJILOLQTSTZJT-QVKFZJNVSA-N 2 0 357.498 3.674 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056854 943377114 /nfs/dbraw/zinc/37/71/14/943377114.db2.gz YURQOPUGMOIUMZ-XMSQKQJNSA-N 2 0 354.542 3.656 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056853 943377166 /nfs/dbraw/zinc/37/71/66/943377166.db2.gz YURQOPUGMOIUMZ-PGRDOPGGSA-N 2 0 354.542 3.656 20 0 FHADRP CCSc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423063569 943379196 /nfs/dbraw/zinc/37/91/96/943379196.db2.gz PFUCFDUMERHUFP-FXAWDEMLSA-N 2 0 355.507 3.539 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071053 943382149 /nfs/dbraw/zinc/38/21/49/943382149.db2.gz NXHRXIJYJYUARY-IYOUNJFTSA-N 2 0 362.315 3.843 20 0 FHADRP FC(F)(F)C1CCN(C2CC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000423085195 943388673 /nfs/dbraw/zinc/38/86/73/943388673.db2.gz JZOOLXCUSIARIJ-KFPRQRBHSA-N 2 0 373.507 3.692 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088923 943390937 /nfs/dbraw/zinc/39/09/37/943390937.db2.gz RHKJVMHKHHAANZ-GDIGMMSISA-N 2 0 372.310 3.762 20 0 FHADRP CSc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423092090 943391163 /nfs/dbraw/zinc/39/11/63/943391163.db2.gz ANTWJUTZBPWPSM-CTNGQTDRSA-N 2 0 354.519 3.797 20 0 FHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423092169 943391224 /nfs/dbraw/zinc/39/12/24/943391224.db2.gz ATWYVKYJVPMSKZ-ZLLBNUPZSA-N 2 0 352.453 3.917 20 0 FHADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423075994 943395280 /nfs/dbraw/zinc/39/52/80/943395280.db2.gz PWFMPCFUKZVYNW-NKRSRWBGSA-N 2 0 364.489 3.610 20 0 FHADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124786 943398270 /nfs/dbraw/zinc/39/82/70/943398270.db2.gz PCXCFSNLICQGFX-WRHDZBKDSA-N 2 0 364.489 3.752 20 0 FHADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124784 943398746 /nfs/dbraw/zinc/39/87/46/943398746.db2.gz PCXCFSNLICQGFX-RJSMDTJLSA-N 2 0 364.489 3.752 20 0 FHADRP COc1cccc(C2(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000423127439 943399243 /nfs/dbraw/zinc/39/92/43/943399243.db2.gz TVYMELBGSNWCGB-NFBKMPQASA-N 2 0 364.489 3.572 20 0 FHADRP c1cc(C[N@H+](Cc2ccc3c(c2)CCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000414720144 943408711 /nfs/dbraw/zinc/40/87/11/943408711.db2.gz BDNQMSUWBXMLMV-HXUWFJFHSA-N 2 0 354.519 3.827 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423151280 943409989 /nfs/dbraw/zinc/40/99/89/943409989.db2.gz CIPZESGTPDDKEY-SCLBCKFNSA-N 2 0 367.415 3.642 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423151279 943410276 /nfs/dbraw/zinc/41/02/76/943410276.db2.gz CIPZESGTPDDKEY-FZKQIMNGSA-N 2 0 367.415 3.642 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)c2)cc1 ZINC000435437446 943415762 /nfs/dbraw/zinc/41/57/62/943415762.db2.gz KPDUDNIUWOQQKB-FQEVSTJZSA-N 2 0 367.493 3.521 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423138521 943415739 /nfs/dbraw/zinc/41/57/39/943415739.db2.gz TVLRKXDNCZWZKK-UZLBHIALSA-N 2 0 370.566 3.602 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423138506 943415992 /nfs/dbraw/zinc/41/59/92/943415992.db2.gz TUDJUQNWSRQAIO-IPMKNSEASA-N 2 0 360.571 3.564 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423139571 943416449 /nfs/dbraw/zinc/41/64/49/943416449.db2.gz VNDMNZGGYJVYIM-AWEZNQCLSA-N 2 0 371.554 3.567 20 0 FHADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143285 943418487 /nfs/dbraw/zinc/41/84/87/943418487.db2.gz WWLSGAMHMSSSEL-AVRDEDQJSA-N 2 0 351.494 3.513 20 0 FHADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143894 943419165 /nfs/dbraw/zinc/41/91/65/943419165.db2.gz FJZQEBIXXUZZLP-BURNTYAHSA-N 2 0 361.599 3.912 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423211960 943433564 /nfs/dbraw/zinc/43/35/64/943433564.db2.gz LIUUBXICVWBSQO-BFQNTYOBSA-N 2 0 355.345 3.821 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000423214599 943445019 /nfs/dbraw/zinc/44/50/19/943445019.db2.gz LKAQPHNWNGQQHC-QFHJOOASSA-N 2 0 364.505 3.812 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423263431 943454657 /nfs/dbraw/zinc/45/46/57/943454657.db2.gz XGHGEHYNAMQALC-RYUDHWBXSA-N 2 0 364.383 3.930 20 0 FHADRP Brc1cccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CCOCC2)c1 ZINC000423241615 943456289 /nfs/dbraw/zinc/45/62/89/943456289.db2.gz DLHALTTUMPGMPV-KBXCAEBGSA-N 2 0 367.331 3.506 20 0 FHADRP COc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423243563 943457537 /nfs/dbraw/zinc/45/75/37/943457537.db2.gz GOJPXLYVJUQTSP-CXAGYDPISA-N 2 0 355.320 3.744 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256497 943461523 /nfs/dbraw/zinc/46/15/23/943461523.db2.gz FIEXNJXFFWZFOU-CJNGLKHVSA-N 2 0 353.304 3.642 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423285164 943463878 /nfs/dbraw/zinc/46/38/78/943463878.db2.gz XSRCWWDMZCJMLP-WOGUSJMUSA-N 2 0 364.505 3.942 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2ccnn2C)c2ccc(F)cc2)CC1 ZINC000283993277 943466001 /nfs/dbraw/zinc/46/60/01/943466001.db2.gz HLHZFPFBWAGBAC-OAQYLSRUSA-N 2 0 358.505 3.902 20 0 FHADRP COCCC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423319695 943474512 /nfs/dbraw/zinc/47/45/12/943474512.db2.gz DTHOCNGMSPCTQN-KRWDZBQOSA-N 2 0 369.347 3.896 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322741 943475071 /nfs/dbraw/zinc/47/50/71/943475071.db2.gz GTAIHFQSQVJEAI-RYGJVYDSSA-N 2 0 370.493 3.509 20 0 FHADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000423358948 943490487 /nfs/dbraw/zinc/49/04/87/943490487.db2.gz CMTDFKQBDGGWLH-JNAXZKDPSA-N 2 0 360.448 3.640 20 0 FHADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000423358950 943490670 /nfs/dbraw/zinc/49/06/70/943490670.db2.gz CMTDFKQBDGGWLH-VHFSOBRXSA-N 2 0 360.448 3.640 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423357945 943490698 /nfs/dbraw/zinc/49/06/98/943490698.db2.gz MPQNLKUUJSKTEW-INIZCTEOSA-N 2 0 351.494 3.920 20 0 FHADRP Brc1cccc2c1C[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423370828 943494482 /nfs/dbraw/zinc/49/44/82/943494482.db2.gz FXZDYATZEYNBNL-QGZVFWFLSA-N 2 0 357.295 3.699 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306761 943495191 /nfs/dbraw/zinc/49/51/91/943495191.db2.gz GLOQNZSILDDPDH-TYCQWZJGSA-N 2 0 370.562 3.987 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000423380003 943496073 /nfs/dbraw/zinc/49/60/73/943496073.db2.gz MMFJPXBOHYKHOH-SJORKVTESA-N 2 0 351.494 3.662 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000423383818 943497284 /nfs/dbraw/zinc/49/72/84/943497284.db2.gz PQDBOMXYSCSSFO-NBCNXNJRSA-N 2 0 354.494 3.718 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CCC3)cc1 ZINC000423388856 943498896 /nfs/dbraw/zinc/49/88/96/943498896.db2.gz JDJOSEMYCJSUOP-XOKHGSTOSA-N 2 0 357.523 3.784 20 0 FHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417317297 943503816 /nfs/dbraw/zinc/50/38/16/943503816.db2.gz WCFJBBNHZRBSEG-CEXWTWQISA-N 2 0 361.599 3.780 20 0 FHADRP CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)CC2)CC1 ZINC000423422741 943505796 /nfs/dbraw/zinc/50/57/96/943505796.db2.gz DKEAUNAUTSHAIH-XPQZIERPSA-N 2 0 357.542 3.679 20 0 FHADRP COCC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000423409914 943509638 /nfs/dbraw/zinc/50/96/38/943509638.db2.gz RAGHTRVEPXGDRS-JOCHJYFZSA-N 2 0 352.522 3.966 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435616908 943516897 /nfs/dbraw/zinc/51/68/97/943516897.db2.gz UPDHAHVEYZJGMW-OAQYLSRUSA-N 2 0 351.494 3.903 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423457187 943521667 /nfs/dbraw/zinc/52/16/67/943521667.db2.gz HSYKNUJDYZZPMN-GDOPRYPUSA-N 2 0 353.279 3.681 20 0 FHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423479162 943527492 /nfs/dbraw/zinc/52/74/92/943527492.db2.gz LVLPYIKRHYDWGZ-QXAKKESOSA-N 2 0 364.505 3.956 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423480071 943527603 /nfs/dbraw/zinc/52/76/03/943527603.db2.gz MSGFPYMPUDRJPO-ZBFHGGJFSA-N 2 0 353.304 3.785 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423480961 943527611 /nfs/dbraw/zinc/52/76/11/943527611.db2.gz NVQGUHQOFKGMPF-GDBMZVCRSA-N 2 0 353.304 3.785 20 0 FHADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482499 943528715 /nfs/dbraw/zinc/52/87/15/943528715.db2.gz XWOXEMUZJOJLGV-FMWKFLBASA-N 2 0 370.516 3.568 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423454734 943528784 /nfs/dbraw/zinc/52/87/84/943528784.db2.gz DFLHFYOTKYEJEG-UINKAMIRSA-N 2 0 365.315 3.768 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000423503199 943530988 /nfs/dbraw/zinc/53/09/88/943530988.db2.gz FSJKIOPTQYZBNG-IYXRBSQSSA-N 2 0 374.331 4.000 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1Cl ZINC000423509654 943533172 /nfs/dbraw/zinc/53/31/72/943533172.db2.gz LSEFYYKRRUZYNG-IUDNXUCKSA-N 2 0 356.341 3.860 20 0 FHADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528940 943537608 /nfs/dbraw/zinc/53/76/08/943537608.db2.gz PFSBQKFQZGWMNU-WCIFCTNGSA-N 2 0 369.553 3.709 20 0 FHADRP CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496108 943537686 /nfs/dbraw/zinc/53/76/86/943537686.db2.gz DFUOXKXZQMKPIC-HTAPYJJXSA-N 2 0 355.526 3.540 20 0 FHADRP CC(C)[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2[nH]c(=O)oc2c1 ZINC000423529957 943538500 /nfs/dbraw/zinc/53/85/00/943538500.db2.gz QTCJDDTZUYNDPT-SXNHNKLXSA-N 2 0 369.509 3.974 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533635 943540076 /nfs/dbraw/zinc/54/00/76/943540076.db2.gz YBUYCZVIUXPDJT-ISPRVBGISA-N 2 0 367.581 3.640 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc(OC)c1OC ZINC000423516545 943542665 /nfs/dbraw/zinc/54/26/65/943542665.db2.gz YAQWYOSJJYDESE-MAUKXSAKSA-N 2 0 358.482 3.843 20 0 FHADRP CCCCOc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423517353 943543396 /nfs/dbraw/zinc/54/33/96/943543396.db2.gz YAVFMMLDCZBCLF-KMFTYDHNSA-N 2 0 359.558 3.733 20 0 FHADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423552448 943555760 /nfs/dbraw/zinc/55/57/60/943555760.db2.gz UYBMMKIKJDLGAY-QHSOUUPTSA-N 2 0 353.279 3.553 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000504252041 943562928 /nfs/dbraw/zinc/56/29/28/943562928.db2.gz RQUXDBMFBFSDKS-HXUWFJFHSA-N 2 0 351.579 3.612 20 0 FHADRP C[C@H]1C[C@H](C[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414754948 943584306 /nfs/dbraw/zinc/58/43/06/943584306.db2.gz OHTQMKHJAFPOBG-DOTOQJQBSA-N 2 0 370.368 3.542 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000515239406 943590511 /nfs/dbraw/zinc/59/05/11/943590511.db2.gz DYKNEPLCKAMILB-ACRUOGEOSA-N 2 0 355.526 3.778 20 0 FHADRP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000423775562 943614325 /nfs/dbraw/zinc/61/43/25/943614325.db2.gz PEKMDHVDMUGZAU-UWJYYQICSA-N 2 0 351.494 3.600 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000431949939 943641655 /nfs/dbraw/zinc/64/16/55/943641655.db2.gz KFRDEOLDRSVOAV-HZPDHXFCSA-N 2 0 371.447 3.596 20 0 FHADRP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414772495 943706272 /nfs/dbraw/zinc/70/62/72/943706272.db2.gz BXEBZYFUPMIRRH-NRFANRHFSA-N 2 0 350.506 3.849 20 0 FHADRP CC1CCC(O)(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000584834470 943734683 /nfs/dbraw/zinc/73/46/83/943734683.db2.gz PUIURZHEMXXXDF-UHFFFAOYSA-N 2 0 374.569 3.589 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000424111152 943736324 /nfs/dbraw/zinc/73/63/24/943736324.db2.gz FVNCHMAPUXLHMW-FXAWDEMLSA-N 2 0 357.542 3.550 20 0 FHADRP CC(C)CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000424197143 943781860 /nfs/dbraw/zinc/78/18/60/943781860.db2.gz WHGWMOHPYJHAOI-LJQANCHMSA-N 2 0 351.579 3.643 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424241776 943816764 /nfs/dbraw/zinc/81/67/64/943816764.db2.gz OBVITVJWTLLNGF-UHFFFAOYSA-N 2 0 351.494 3.695 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C(=O)Nc3ccccc3)cc1)CC[NH2+]CC2 ZINC000424286552 943819354 /nfs/dbraw/zinc/81/93/54/943819354.db2.gz HGEAEULTMHAGKW-GOSISDBHSA-N 2 0 363.505 3.903 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(COc3ccccc3)n1)CC[NH2+]CC2 ZINC000424287579 943819379 /nfs/dbraw/zinc/81/93/79/943819379.db2.gz JAGXYBDABQKRAX-MRXNPFEDSA-N 2 0 357.523 3.686 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(Br)c3cccnc13)CC[NH2+]CC2 ZINC000424292982 943823523 /nfs/dbraw/zinc/82/35/23/943823523.db2.gz PCWSXZHETCLEQA-AWEZNQCLSA-N 2 0 374.326 3.961 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OCc3ccncc3)cc1)CC[NH2+]CC2 ZINC000424295921 943825218 /nfs/dbraw/zinc/82/52/18/943825218.db2.gz RRIKLNMGXGSHML-GOSISDBHSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(OCc3cccnc3)cc1)CC[NH2+]CC2 ZINC000424299966 943827000 /nfs/dbraw/zinc/82/70/00/943827000.db2.gz WIIVJUDIWUEHLJ-SFHVURJKSA-N 2 0 351.494 3.625 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424274076 943830221 /nfs/dbraw/zinc/83/02/21/943830221.db2.gz VDIKWQYJXVWJCH-PPULBPTMSA-N 2 0 372.553 3.589 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000417695283 943833361 /nfs/dbraw/zinc/83/33/61/943833361.db2.gz AUTRGRVGQFRQCG-SJORKVTESA-N 2 0 368.525 3.635 20 0 FHADRP COc1ccccc1-c1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424301903 943851362 /nfs/dbraw/zinc/85/13/62/943851362.db2.gz YFDOETDTNYKNNS-OAHLLOKOSA-N 2 0 357.523 3.783 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3cc(C(F)(F)F)ccc3n1C)CC[NH2+]CC2 ZINC000424375315 943885488 /nfs/dbraw/zinc/88/54/88/943885488.db2.gz JKMIBAKACAMQLP-CYBMUJFWSA-N 2 0 366.431 3.556 20 0 FHADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414786331 943907239 /nfs/dbraw/zinc/90/72/39/943907239.db2.gz KIFRVKZZSCCOHH-UHFFFAOYSA-N 2 0 352.507 3.502 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000424437166 943913385 /nfs/dbraw/zinc/91/33/85/943913385.db2.gz NUKKQOGOOXXVBW-GOSISDBHSA-N 2 0 358.530 3.574 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000424442155 943917024 /nfs/dbraw/zinc/91/70/24/943917024.db2.gz XIRARZDOOHEYOB-XLIONFOSSA-N 2 0 366.509 3.628 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000424443625 943917347 /nfs/dbraw/zinc/91/73/47/943917347.db2.gz KXYCCZGQXBLFDW-UHFFFAOYSA-N 2 0 366.509 3.761 20 0 FHADRP CCN(C(=O)Nc1cc(C)cc(C[NH3+])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424426111 943922335 /nfs/dbraw/zinc/92/23/35/943922335.db2.gz LJPSJECIULDUEH-NRFANRHFSA-N 2 0 366.509 3.582 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417886735 943923989 /nfs/dbraw/zinc/92/39/89/943923989.db2.gz ZDQOUURMLSFFNV-LVCYWYKZSA-N 2 0 374.573 3.521 20 0 FHADRP C[C@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000425439998 943925599 /nfs/dbraw/zinc/92/55/99/943925599.db2.gz BIYMEBGLRZKIJZ-GOSISDBHSA-N 2 0 369.553 3.735 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1CC[NH+](C)CC1 ZINC000651453532 943943108 /nfs/dbraw/zinc/94/31/08/943943108.db2.gz GFQNEHJIXVEQGY-BZNIZROVSA-N 2 0 355.295 3.895 20 0 FHADRP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515521819 943975171 /nfs/dbraw/zinc/97/51/71/943975171.db2.gz XOAWWBXUKOZDQE-CEXWTWQISA-N 2 0 373.585 3.947 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000517089322 944006170 /nfs/dbraw/zinc/00/61/70/944006170.db2.gz PPQSZOGXIHXZFQ-PZJWPPBQSA-N 2 0 363.977 3.983 20 0 FHADRP CC(C)Oc1ccc2[nH+]ccc(N3CCO[C@H](CCC[NH+](C)C)C3)c2c1 ZINC000664654156 944085448 /nfs/dbraw/zinc/08/54/48/944085448.db2.gz FOCDJJJQHHRATH-GOSISDBHSA-N 2 0 357.498 3.569 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811385 944094346 /nfs/dbraw/zinc/09/43/46/944094346.db2.gz WBLVONGLOQTMDF-AUUYWEPGSA-N 2 0 353.913 3.551 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811391 944095145 /nfs/dbraw/zinc/09/51/45/944095145.db2.gz WBLVONGLOQTMDF-LIRRHRJNSA-N 2 0 353.913 3.551 20 0 FHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000437771209 944100151 /nfs/dbraw/zinc/10/01/51/944100151.db2.gz IESXDCWFAAXQPO-SGNDLWITSA-N 2 0 364.533 3.853 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2)c1 ZINC000437775456 944106094 /nfs/dbraw/zinc/10/60/94/944106094.db2.gz PDJDKOVOFWRIKY-UHFFFAOYSA-N 2 0 356.466 3.856 20 0 FHADRP FC(F)(F)[C@H](CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425897887 944115105 /nfs/dbraw/zinc/11/51/05/944115105.db2.gz WQPLSAQHSRSFFF-QGZVFWFLSA-N 2 0 367.415 3.967 20 0 FHADRP Cn1ncc(Cl)c1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000436226182 944116796 /nfs/dbraw/zinc/11/67/96/944116796.db2.gz HEDXLIGSMOLZPI-UHFFFAOYSA-N 2 0 374.960 3.898 20 0 FHADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814961 944121823 /nfs/dbraw/zinc/12/18/23/944121823.db2.gz ZQAKBCGYHJFVNK-AEFFLSMTSA-N 2 0 360.523 3.943 20 0 FHADRP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116946 944123492 /nfs/dbraw/zinc/12/34/92/944123492.db2.gz PIAURPGFSADTIQ-PKTZIBPZSA-N 2 0 357.586 3.979 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000500157686 944180955 /nfs/dbraw/zinc/18/09/55/944180955.db2.gz UUQKXUHHUSDQGI-UHFFFAOYSA-N 2 0 370.368 3.988 20 0 FHADRP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757582 944185627 /nfs/dbraw/zinc/18/56/27/944185627.db2.gz IMCROWZBDPVRMG-OTWHNJEPSA-N 2 0 373.585 3.947 20 0 FHADRP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000418137525 944190970 /nfs/dbraw/zinc/19/09/70/944190970.db2.gz DZFFZOFUEJZPML-NHCUHLMSSA-N 2 0 372.557 3.563 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000550127925 944244378 /nfs/dbraw/zinc/24/43/78/944244378.db2.gz RYXVXDWHOXTCRU-LJQANCHMSA-N 2 0 357.542 3.553 20 0 FHADRP Cc1ccc([C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)o1 ZINC000101603372 944267802 /nfs/dbraw/zinc/26/78/02/944267802.db2.gz BBSXZHZPVMIATN-IBGZPJMESA-N 2 0 370.497 3.608 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000436398111 944275313 /nfs/dbraw/zinc/27/53/13/944275313.db2.gz CEMXBHRYHPWBER-HXUWFJFHSA-N 2 0 369.484 3.581 20 0 FHADRP CCC1(C[NH2+]Cc2c(Cl)cnn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000436418824 944291289 /nfs/dbraw/zinc/29/12/89/944291289.db2.gz YEQXNRRWBTZWHD-UHFFFAOYSA-N 2 0 360.933 3.856 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000550161448 944305224 /nfs/dbraw/zinc/30/52/24/944305224.db2.gz LTBIMNMEVQKJRQ-OALUTQOASA-N 2 0 357.542 3.593 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000550165949 944320279 /nfs/dbraw/zinc/32/02/79/944320279.db2.gz AHVOITRYYMHYNZ-GOSISDBHSA-N 2 0 361.530 3.610 20 0 FHADRP CC(C)N(C(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483934 944321514 /nfs/dbraw/zinc/32/15/14/944321514.db2.gz CXCDAOSXDLZCNV-HSALFYBXSA-N 2 0 351.579 3.607 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108193 944346714 /nfs/dbraw/zinc/34/67/14/944346714.db2.gz XZRWKZXGROVBGO-DNQXCXABSA-N 2 0 369.597 3.987 20 0 FHADRP CC1(C)C[N@H+](CCn2ccnc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836757 944347143 /nfs/dbraw/zinc/34/71/43/944347143.db2.gz XCDNIUYULHRDNV-NRFANRHFSA-N 2 0 352.526 3.506 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000518413321 944360137 /nfs/dbraw/zinc/36/01/37/944360137.db2.gz XXMMDMQUVNAXON-YTFSRNRJSA-N 3 0 355.570 3.881 20 0 FHADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1)C[NH+](C)C ZINC000425951327 944362560 /nfs/dbraw/zinc/36/25/60/944362560.db2.gz MMFVNYMAGLXDJZ-QZTJIDSGSA-N 2 0 366.509 3.762 20 0 FHADRP Cn1cc(CC[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000664836782 944381091 /nfs/dbraw/zinc/38/10/91/944381091.db2.gz XUNRHLXQAOXAGF-JOCHJYFZSA-N 2 0 366.553 3.585 20 0 FHADRP [NH3+][C@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000517560921 944392676 /nfs/dbraw/zinc/39/26/76/944392676.db2.gz CJERAQAUKOMEIR-UXHICEINSA-N 2 0 371.912 3.683 20 0 FHADRP CC1(C)C[N@H+](CCn2cccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838487 944396893 /nfs/dbraw/zinc/39/68/93/944396893.db2.gz RYPMDFCZQCCUHR-OAQYLSRUSA-N 2 0 352.526 3.506 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280782180 944407983 /nfs/dbraw/zinc/40/79/83/944407983.db2.gz GWRWHSQFEYDYSE-HSZRJFAPSA-N 2 0 365.521 3.669 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000047039239 944525860 /nfs/dbraw/zinc/52/58/60/944525860.db2.gz ZQFDRJADVULXQX-ROUUACIJSA-N 2 0 363.546 3.609 20 0 FHADRP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238102 944545549 /nfs/dbraw/zinc/54/55/49/944545549.db2.gz RJUNRPFRWORQPR-JOCHJYFZSA-N 2 0 354.542 3.933 20 0 FHADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000514097859 944551543 /nfs/dbraw/zinc/55/15/43/944551543.db2.gz BVTSKIMHPCRSTO-UHFFFAOYSA-N 2 0 368.569 3.889 20 0 FHADRP CC1CC[NH+](C[C@H]2CCCN([C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201030 944572360 /nfs/dbraw/zinc/57/23/60/944572360.db2.gz PYXNWDOWVDYTKX-PKTZIBPZSA-N 2 0 355.570 3.705 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000414998147 944618447 /nfs/dbraw/zinc/61/84/47/944618447.db2.gz HXVMPRHXJKBDEV-YLJYHZDGSA-N 2 0 361.493 3.541 20 0 FHADRP C[C@@H]1C[NH+](CCC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@@H](C)O1 ZINC000426392487 944639409 /nfs/dbraw/zinc/63/94/09/944639409.db2.gz AOCVHPHJABYPKI-QZTJIDSGSA-N 2 0 353.510 3.951 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000506867680 944682717 /nfs/dbraw/zinc/68/27/17/944682717.db2.gz NQICUJBGRNOJMD-QFIPXVFZSA-N 2 0 360.542 3.798 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418490572 944706201 /nfs/dbraw/zinc/70/62/01/944706201.db2.gz NGPBENZSWYXKEN-SFHVURJKSA-N 2 0 374.573 3.750 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000500388015 944724986 /nfs/dbraw/zinc/72/49/86/944724986.db2.gz XKDLGYOREYTGMN-WAIALKQBSA-N 2 0 369.475 3.724 20 0 FHADRP CCC(CC)(CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000426416095 944729308 /nfs/dbraw/zinc/72/93/08/944729308.db2.gz GNYMUCUHEXHREU-YLJYHZDGSA-N 2 0 357.542 3.639 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000517865815 944762707 /nfs/dbraw/zinc/76/27/07/944762707.db2.gz POBQSHYWWVPUDX-CTNGQTDRSA-N 2 0 359.558 3.698 20 0 FHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000297364854 944803339 /nfs/dbraw/zinc/80/33/39/944803339.db2.gz GBDXESFGSWWPAF-AWEZNQCLSA-N 2 0 367.428 3.590 20 0 FHADRP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1C ZINC000415004472 944937891 /nfs/dbraw/zinc/93/78/91/944937891.db2.gz OAXPYPBNPQNXAI-AZUAARDMSA-N 2 0 358.505 3.532 20 0 FHADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000511725762 944952103 /nfs/dbraw/zinc/95/21/03/944952103.db2.gz VZAVOPDWTOMXFU-UHFFFAOYSA-N 2 0 365.949 3.539 20 0 FHADRP COc1cc(CN[C@@H](C)C[NH3+])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414945020 944985632 /nfs/dbraw/zinc/98/56/32/944985632.db2.gz PJADEURWXNJLPN-ZDUSSCGKSA-N 2 0 368.399 3.730 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@@H](C)C1 ZINC000437089044 945008101 /nfs/dbraw/zinc/00/81/01/945008101.db2.gz ABJAAKYNYWBMKT-PZJWPPBQSA-N 2 0 361.574 3.758 20 0 FHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414950703 945014039 /nfs/dbraw/zinc/01/40/39/945014039.db2.gz GILUWCPIHMSXIW-TVQRCGJNSA-N 2 0 351.210 3.556 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000414955807 945047478 /nfs/dbraw/zinc/04/74/78/945047478.db2.gz UQQCPVJQOKTGFK-SCDSUCTJSA-N 2 0 370.337 3.789 20 0 FHADRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OCc1cccs1 ZINC000415010485 945402957 /nfs/dbraw/zinc/40/29/57/945402957.db2.gz PGRAWODKBBUMHN-RBUKOAKNSA-N 2 0 372.534 3.813 20 0 FHADRP c1n[nH]nc1CC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000660764443 945473536 /nfs/dbraw/zinc/47/35/36/945473536.db2.gz NPXGYNCGGXKGMB-QFIPXVFZSA-N 2 0 367.541 3.504 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415011586 945474053 /nfs/dbraw/zinc/47/40/53/945474053.db2.gz WGXHSYQMKQPGSA-BLLLJJGKSA-N 2 0 352.404 3.703 20 0 FHADRP Fc1ccc2oc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2c1 ZINC000507716247 945489748 /nfs/dbraw/zinc/48/97/48/945489748.db2.gz DLYLNFINVNQYPK-UHFFFAOYSA-N 2 0 360.473 3.896 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000415050333 945502730 /nfs/dbraw/zinc/50/27/30/945502730.db2.gz YMSFZZPGYHDVQB-BZPMIXESSA-N 2 0 370.337 3.776 20 0 FHADRP CC[NH+](CC)Cc1cc(OC)ccc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167987483 945525220 /nfs/dbraw/zinc/52/52/20/945525220.db2.gz OPXUSAWGODOHTB-UHFFFAOYSA-N 2 0 367.493 3.688 20 0 FHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000187777181 945594304 /nfs/dbraw/zinc/59/43/04/945594304.db2.gz GPPRDWPFBHJWST-AVRDEDQJSA-N 2 0 360.542 3.592 20 0 FHADRP CC[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000519678444 945628222 /nfs/dbraw/zinc/62/82/22/945628222.db2.gz VUJBEVJDSVYJCF-HSZRJFAPSA-N 2 0 374.569 3.853 20 0 FHADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519694030 945667621 /nfs/dbraw/zinc/66/76/21/945667621.db2.gz UWICRLHGRMVRAX-ROUUACIJSA-N 2 0 359.558 3.835 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(-c2ccccc2)cn1 ZINC000651709240 945736428 /nfs/dbraw/zinc/73/64/28/945736428.db2.gz PNGFTZMHAHVICD-NQIIRXRSSA-N 2 0 364.537 3.568 20 0 FHADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000281595361 945774797 /nfs/dbraw/zinc/77/47/97/945774797.db2.gz LWYPNZGYAVWVAG-DOTOQJQBSA-N 2 0 370.459 3.727 20 0 FHADRP c1ccc(C[C@@H](C[NH+]2CCCC2)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167970562 945780149 /nfs/dbraw/zinc/78/01/49/945780149.db2.gz MYGFEHVZGLPUDK-NUYKZFOBSA-N 2 0 367.581 3.689 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000111043915 945808818 /nfs/dbraw/zinc/80/88/18/945808818.db2.gz FYZJQJMBKOJGJB-RBUKOAKNSA-N 2 0 359.539 3.550 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000111043912 945809017 /nfs/dbraw/zinc/80/90/17/945809017.db2.gz FYZJQJMBKOJGJB-OALUTQOASA-N 2 0 359.539 3.550 20 0 FHADRP COc1cc(OC)c(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651756244 945840533 /nfs/dbraw/zinc/84/05/33/945840533.db2.gz PAZMGDQTUZPXIP-AEFFLSMTSA-N 2 0 372.484 3.843 20 0 FHADRP CCC[NH2+][C@H](C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757351 945888982 /nfs/dbraw/zinc/88/89/82/945888982.db2.gz LKNSUGQTFQRXDY-NQIIRXRSSA-N 2 0 371.569 3.524 20 0 FHADRP CCC[NH2+][C@@H](C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757354 945889517 /nfs/dbraw/zinc/88/95/17/945889517.db2.gz LKNSUGQTFQRXDY-RXVVDRJESA-N 2 0 371.569 3.524 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415906721 945898706 /nfs/dbraw/zinc/89/87/06/945898706.db2.gz LKOBCVPZQMDZGX-OAQYLSRUSA-N 2 0 366.509 3.534 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544374546 945937948 /nfs/dbraw/zinc/93/79/48/945937948.db2.gz USVYETLIZJSNTQ-QAPCUYQASA-N 2 0 365.949 3.760 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000520044449 946070658 /nfs/dbraw/zinc/07/06/58/946070658.db2.gz SABPQMBMRHOASS-NSHGMRRFSA-N 2 0 351.579 3.514 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000520044447 946070969 /nfs/dbraw/zinc/07/09/69/946070969.db2.gz SABPQMBMRHOASS-GGPKGHCWSA-N 2 0 351.579 3.514 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000302038213 946090318 /nfs/dbraw/zinc/09/03/18/946090318.db2.gz MSTLSRMPMJTOQK-IBGZPJMESA-N 2 0 366.553 3.712 20 0 FHADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000188243578 946174365 /nfs/dbraw/zinc/17/43/65/946174365.db2.gz AVMNTGWXVQMWNP-BJESRGMDSA-N 2 0 356.554 3.854 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000441081239 946182727 /nfs/dbraw/zinc/18/27/27/946182727.db2.gz UKQQFTUGFZITEB-UHFFFAOYSA-N 2 0 363.977 3.763 20 0 FHADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746605 946307118 /nfs/dbraw/zinc/30/71/18/946307118.db2.gz SIJASJQBESPWPL-DYVFJYSZSA-N 2 0 360.299 3.918 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652148952 946386336 /nfs/dbraw/zinc/38/63/36/946386336.db2.gz MZXVQORXRLHQAI-SIKLNZKXSA-N 2 0 358.574 3.566 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970789 946396832 /nfs/dbraw/zinc/39/68/32/946396832.db2.gz BIGBHJXFFSQAMZ-UONOGXRCSA-N 2 0 370.324 3.644 20 0 FHADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132641 946468526 /nfs/dbraw/zinc/46/85/26/946468526.db2.gz AQFUZMQOZBPUHM-VQTJNVASSA-N 2 0 373.928 3.800 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)C3)cc1 ZINC000652247369 946528328 /nfs/dbraw/zinc/52/83/28/946528328.db2.gz JISIDLCUTRGOLT-BXXSPATCSA-N 2 0 354.538 3.977 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396835 946559787 /nfs/dbraw/zinc/55/97/87/946559787.db2.gz OTIKHZARLMNCMA-WMZOPIPTSA-N 2 0 372.475 3.711 20 0 FHADRP C[C@H]1CC([NH+]2CCC(n3cccn3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168057989 946594204 /nfs/dbraw/zinc/59/42/04/946594204.db2.gz ABWHGEIQSKBMHZ-OALUTQOASA-N 2 0 352.526 3.962 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000652309168 946691900 /nfs/dbraw/zinc/69/19/00/946691900.db2.gz HVXSQEKHZLGBKD-QESAQDPVSA-N 2 0 360.542 3.633 20 0 FHADRP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)C(C)C ZINC000112658359 946712521 /nfs/dbraw/zinc/71/25/21/946712521.db2.gz IKWHQHVTDISWKI-KRWDZBQOSA-N 2 0 363.571 3.540 20 0 FHADRP C[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858745 946773533 /nfs/dbraw/zinc/77/35/33/946773533.db2.gz VAFDFYCDHBIYQK-ZRNYENFQSA-N 2 0 360.542 3.685 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC4(C3)CC[NH+](C)CC4)n2)cc1F ZINC000639760187 946788769 /nfs/dbraw/zinc/78/87/69/946788769.db2.gz UBIITFINNSKMLY-HNNXBMFYSA-N 2 0 358.461 3.663 20 0 FHADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584840 946832756 /nfs/dbraw/zinc/83/27/56/946832756.db2.gz IFBOHGIPUMTBPX-KRWDZBQOSA-N 2 0 356.518 3.564 20 0 FHADRP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCC[C@H](C)C1 ZINC000550380489 946884356 /nfs/dbraw/zinc/88/43/56/946884356.db2.gz YVQHPXJAFDENIN-ICSRJNTNSA-N 2 0 351.579 3.656 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348722 946887564 /nfs/dbraw/zinc/88/75/64/946887564.db2.gz OURZYOLRTFVGCG-LMMKCTJWSA-N 2 0 363.571 3.909 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349620 946890018 /nfs/dbraw/zinc/89/00/18/946890018.db2.gz VWEGSEIOUWECAQ-BVBHFADKSA-N 2 0 355.482 3.621 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1CC[NH3+] ZINC000652353721 946903659 /nfs/dbraw/zinc/90/36/59/946903659.db2.gz AQDAMXXMPVGQIR-UTKZUKDTSA-N 2 0 351.494 3.888 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652361142 946929649 /nfs/dbraw/zinc/92/96/49/946929649.db2.gz YXGXYJYDPNQAAT-CEWLAPEOSA-N 2 0 358.526 3.675 20 0 FHADRP CCCc1noc([C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167995288 946929818 /nfs/dbraw/zinc/92/98/18/946929818.db2.gz ZIIVKVWHJQJUEC-KAKFPZCNSA-N 2 0 358.530 3.607 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192932172 947115169 /nfs/dbraw/zinc/11/51/69/947115169.db2.gz NIELWHUDXUNVAO-SFHVURJKSA-N 2 0 350.466 3.590 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](C3CCCC3)CC2)cc1)C1CC1 ZINC000523392591 947192051 /nfs/dbraw/zinc/19/20/51/947192051.db2.gz VBDSESAHLSZILL-UHFFFAOYSA-N 2 0 369.553 3.761 20 0 FHADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)CCO1 ZINC000251738946 947348280 /nfs/dbraw/zinc/34/82/80/947348280.db2.gz PZPWARVOERJOLM-JPYJTQIMSA-N 2 0 365.521 3.944 20 0 FHADRP COc1c[nH+]ccc1N1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000475618590 947376377 /nfs/dbraw/zinc/37/63/77/947376377.db2.gz CBNFFRJZOAUJNI-UHFFFAOYSA-N 2 0 357.420 3.581 20 0 FHADRP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613197 947471181 /nfs/dbraw/zinc/47/11/81/947471181.db2.gz MWYOQCSNYURUNP-KRWDZBQOSA-N 2 0 364.559 3.514 20 0 FHADRP CN(C(=O)CC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000663283166 947661777 /nfs/dbraw/zinc/66/17/77/947661777.db2.gz LSGQADOQANDIBN-UHFFFAOYSA-N 2 0 365.521 3.541 20 0 FHADRP C[NH+](C)CC[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(C)(C)C ZINC000523863409 947674272 /nfs/dbraw/zinc/67/42/72/947674272.db2.gz QXSZGERRNSZIKA-HNNXBMFYSA-N 2 0 371.319 3.634 20 0 FHADRP Clc1ccc(C2([NH2+]Cc3cccc4c3CC[NH2+]C4)CCOCC2)cc1 ZINC000662257505 947676466 /nfs/dbraw/zinc/67/64/66/947676466.db2.gz DJNLKMMNQKQVHD-UHFFFAOYSA-N 2 0 356.897 3.781 20 0 FHADRP FC(F)(F)c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256123 947678193 /nfs/dbraw/zinc/67/81/93/947678193.db2.gz GQFWGCDLYXWPQQ-IAGOWNOFSA-N 2 0 354.416 3.753 20 0 FHADRP C[NH+](CC1=CCSC1)Cc1ccccc1C[N@H+](C)CC1=CCSC1 ZINC000662264845 947683744 /nfs/dbraw/zinc/68/37/44/947683744.db2.gz SPADXGBSYSIURE-UHFFFAOYSA-N 2 0 360.592 3.897 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662279579 947701466 /nfs/dbraw/zinc/70/14/66/947701466.db2.gz AFVMKLASGOISRF-MSOLQXFVSA-N 2 0 354.947 3.650 20 0 FHADRP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294186 947715983 /nfs/dbraw/zinc/71/59/83/947715983.db2.gz BTQAESLFSBRGEH-QGZVFWFLSA-N 2 0 374.916 3.644 20 0 FHADRP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294040 947716264 /nfs/dbraw/zinc/71/62/64/947716264.db2.gz AJCJBEUWPUEXCU-MRXNPFEDSA-N 2 0 360.889 3.602 20 0 FHADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC000893563599 947717636 /nfs/dbraw/zinc/71/76/36/947717636.db2.gz GYUKEISLEOZCKQ-UHFFFAOYSA-N 2 0 369.475 3.613 20 0 FHADRP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297538 947719465 /nfs/dbraw/zinc/71/94/65/947719465.db2.gz RFPDRGALQXDTSU-DZGCQCFKSA-N 2 0 367.896 3.518 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296801 947722059 /nfs/dbraw/zinc/72/20/59/947722059.db2.gz NMCNJHLWMFVXSI-YJBOKZPZSA-N 2 0 372.488 3.957 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295797 947722139 /nfs/dbraw/zinc/72/21/39/947722139.db2.gz UMPUJROHPVGDMA-QUCCMNQESA-N 2 0 357.542 3.650 20 0 FHADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662296396 947723732 /nfs/dbraw/zinc/72/37/32/947723732.db2.gz ZKBBAQLAGCWONU-GOSISDBHSA-N 2 0 355.482 3.562 20 0 FHADRP CC(C)c1cccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000663314693 947726590 /nfs/dbraw/zinc/72/65/90/947726590.db2.gz TXXAUYIYGBYQPS-HSZRJFAPSA-N 2 0 351.538 3.888 20 0 FHADRP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313684 947747256 /nfs/dbraw/zinc/74/72/56/947747256.db2.gz KRMGTTDKLFDHOV-ZHALLVOQSA-N 2 0 371.525 3.792 20 0 FHADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2cccc3ccccc32)CCO1 ZINC000662320554 947748899 /nfs/dbraw/zinc/74/88/99/947748899.db2.gz CFLHTLZENKSGLJ-HXUWFJFHSA-N 2 0 356.510 3.651 20 0 FHADRP Clc1ccsc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327305 947760018 /nfs/dbraw/zinc/76/00/18/947760018.db2.gz MTIYRCJAKFGHSV-UHFFFAOYSA-N 2 0 364.946 3.971 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662389703 947774812 /nfs/dbraw/zinc/77/48/12/947774812.db2.gz ZOXCNTUOWHODQF-KRWDZBQOSA-N 2 0 363.505 3.594 20 0 FHADRP CC1CC[NH+](Cc2ccc(NC(=O)c3cc4c(s3)CC[NH2+]C4)cc2)CC1 ZINC000662387909 947777759 /nfs/dbraw/zinc/77/77/59/947777759.db2.gz JCZYOWYBXYBFBH-UHFFFAOYSA-N 2 0 369.534 3.878 20 0 FHADRP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662503457 947873483 /nfs/dbraw/zinc/87/34/83/947873483.db2.gz UISGBFOBUSEULT-YLJYHZDGSA-N 2 0 363.505 3.587 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([S@](C)=O)cc1 ZINC000165321464 947890734 /nfs/dbraw/zinc/89/07/34/947890734.db2.gz CIKNKKMBIKVCEM-ZTEVPRNISA-N 2 0 370.562 3.639 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662526929 947896390 /nfs/dbraw/zinc/89/63/90/947896390.db2.gz NKDXBQRTCOLNNL-JWWGGVBKSA-N 2 0 369.553 3.543 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467079 948056552 /nfs/dbraw/zinc/05/65/52/948056552.db2.gz CTEFGUVHFKUCAO-WTIAFYNJSA-N 2 0 355.570 3.609 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccccc1 ZINC001167822898 948092590 /nfs/dbraw/zinc/09/25/90/948092590.db2.gz BBUHOCNPWRCAFS-PZJWPPBQSA-N 2 0 371.569 3.792 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001167824188 948108020 /nfs/dbraw/zinc/10/80/20/948108020.db2.gz GEGRDESKJCSTHV-PZJWPPBQSA-N 2 0 371.569 3.635 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)CC1 ZINC000663506097 948126445 /nfs/dbraw/zinc/12/64/45/948126445.db2.gz PTLMPUAUNOHMFF-RCZSKKKRSA-N 2 0 371.569 3.539 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1cccc(C)c1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001167826873 948133944 /nfs/dbraw/zinc/13/39/44/948133944.db2.gz ZETXYNIYKLMSQK-WWNPGLIZSA-N 2 0 373.585 3.833 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001167827629 948156633 /nfs/dbraw/zinc/15/66/33/948156633.db2.gz UIZQFWYOMMOBRX-CEMLEFRQSA-N 2 0 366.590 3.652 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512004698 948158717 /nfs/dbraw/zinc/15/87/17/948158717.db2.gz BHVZWEARVMFAIT-CHWSQXEVSA-N 2 0 363.365 3.826 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512004699 948158859 /nfs/dbraw/zinc/15/88/59/948158859.db2.gz BHVZWEARVMFAIT-OLZOCXBDSA-N 2 0 363.365 3.826 20 0 FHADRP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001933 948170311 /nfs/dbraw/zinc/17/03/11/948170311.db2.gz AJUDCKLPEYBREQ-HNYYDBCASA-N 2 0 370.537 3.846 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001167833407 948223370 /nfs/dbraw/zinc/22/33/70/948223370.db2.gz AWRQXPLEOAFPAT-VJANTYMQSA-N 2 0 367.578 3.732 20 0 FHADRP FC(F)(F)c1ccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647990307 948226286 /nfs/dbraw/zinc/22/62/86/948226286.db2.gz ODVXTFSSRWRNST-GOSISDBHSA-N 2 0 356.432 3.859 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000473210495 948285720 /nfs/dbraw/zinc/28/57/20/948285720.db2.gz VACTWXZPDUVELO-JBACZVJFSA-N 2 0 359.558 3.665 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001167835697 948297729 /nfs/dbraw/zinc/29/77/29/948297729.db2.gz SXEVVAGPZNTFSM-TZIWHRDSSA-N 2 0 360.542 3.952 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001167836763 948307835 /nfs/dbraw/zinc/30/78/35/948307835.db2.gz GUVAMEDDRGKKRW-RXVVDRJESA-N 2 0 373.585 3.839 20 0 FHADRP CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@@H](C)CCC[NH+](CC)CC ZINC001167839839 948322838 /nfs/dbraw/zinc/32/28/38/948322838.db2.gz CDLFKNCJAOBKGU-OALUTQOASA-N 2 0 358.567 3.567 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432404003 948345397 /nfs/dbraw/zinc/34/53/97/948345397.db2.gz CQGBHKFSIYJEBT-VMWRSERWSA-N 2 0 369.347 3.642 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432404000 948345466 /nfs/dbraw/zinc/34/54/66/948345466.db2.gz CQGBHKFSIYJEBT-VJFUWPCTSA-N 2 0 369.347 3.642 20 0 FHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405035 948348425 /nfs/dbraw/zinc/34/84/25/948348425.db2.gz GNGNXRCYINJQOV-CABCVRRESA-N 2 0 360.420 3.737 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167841119 948353964 /nfs/dbraw/zinc/35/39/64/948353964.db2.gz KIWCVMVEJTZWSC-MRXNPFEDSA-N 2 0 353.551 3.581 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001167841405 948361191 /nfs/dbraw/zinc/36/11/91/948361191.db2.gz MKVNGXSMGSPZSF-KRWDZBQOSA-N 2 0 365.949 3.608 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001167842406 948387201 /nfs/dbraw/zinc/38/72/01/948387201.db2.gz WYICSCVBDRJIFE-IFMALSPDSA-N 2 0 361.574 3.502 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000473212614 948403406 /nfs/dbraw/zinc/40/34/06/948403406.db2.gz HSQHWSKFDMWLTP-UYAOXDASSA-N 2 0 351.579 3.656 20 0 FHADRP COc1cc2cc[nH+]c(NC3CC[NH+](CCOC(C)C)CC3)c2cc1OC ZINC000663684588 948607772 /nfs/dbraw/zinc/60/77/72/948607772.db2.gz UTQPDGPXXYNCNR-UHFFFAOYSA-N 2 0 373.497 3.553 20 0 FHADRP COc1ccc2nc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)sc2c1 ZINC000474007211 948616033 /nfs/dbraw/zinc/61/60/33/948616033.db2.gz DBUCILQLUVIIFF-UHFFFAOYSA-N 2 0 368.506 3.706 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C[C@H](C)O1 ZINC000512188282 948741284 /nfs/dbraw/zinc/74/12/84/948741284.db2.gz XUMMJPJCNIOCLB-OALUTQOASA-N 2 0 372.553 3.797 20 0 FHADRP Fc1cccc(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1F ZINC000602278612 567962717 /nfs/dbraw/zinc/96/27/17/567962717.db2.gz ZPDXVJVWAXFDIX-UHFFFAOYSA-N 2 0 360.448 3.772 20 0 FHADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000521426926 568009831 /nfs/dbraw/zinc/00/98/31/568009831.db2.gz UPMYQXMLHBNRSU-VTHDOGFWSA-N 2 0 374.569 3.637 20 0 FHADRP COc1ccc(COCCN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711641 568137925 /nfs/dbraw/zinc/13/79/25/568137925.db2.gz DNZUUIOWOULHJD-PZJWPPBQSA-N 2 0 360.542 3.798 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000604412445 568277312 /nfs/dbraw/zinc/27/73/12/568277312.db2.gz FDWAKLOWKCLFAY-JOCHJYFZSA-N 2 0 365.521 3.814 20 0 FHADRP C[C@H](CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000431593753 568334256 /nfs/dbraw/zinc/33/42/56/568334256.db2.gz BOLXMWLSLLICTK-VSKRKVRLSA-N 2 0 364.574 3.550 20 0 FHADRP Cc1c[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1C ZINC001164706345 719899219 /nfs/dbraw/zinc/89/92/19/719899219.db2.gz IESFRXNGJHSYEG-UHFFFAOYSA-N 2 0 357.523 3.631 20 0 FHADRP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027676 721800695 /nfs/dbraw/zinc/80/06/95/721800695.db2.gz XGACAQNEJTUVTF-JBACZVJFSA-N 2 0 350.510 3.830 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]21 ZINC001165026578 721802039 /nfs/dbraw/zinc/80/20/39/721802039.db2.gz RHLZPJDUZKBEGD-LDQXTDLNSA-N 2 0 361.493 3.695 20 0 FHADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)cc(C)[nH+]2)CC1 ZINC001165020260 721838248 /nfs/dbraw/zinc/83/82/48/721838248.db2.gz GXOVHJLWTCRFSO-UHFFFAOYSA-N 2 0 369.509 3.816 20 0 FHADRP CN(C)c1cc[nH+]c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164992736 722199123 /nfs/dbraw/zinc/19/91/23/722199123.db2.gz AVRSPTSNJHVYKQ-NRFANRHFSA-N 2 0 354.473 3.532 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000511769827 945065674 /nfs/dbraw/zinc/06/56/74/945065674.db2.gz IDDIOQDDMVLMSE-FUHWJXTLSA-N 2 0 362.468 3.539 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)ccn1 ZINC000579767734 927364924 /nfs/dbraw/zinc/36/49/24/927364924.db2.gz KXTCTTVBLWQBBA-HXUWFJFHSA-N 2 0 364.493 3.671 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000123705946 937172913 /nfs/dbraw/zinc/17/29/13/937172913.db2.gz LLNVTDIZNVOZBI-QGZVFWFLSA-N 2 0 351.494 3.726 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(Cl)cn1 ZINC000274745164 927795529 /nfs/dbraw/zinc/79/55/29/927795529.db2.gz AUBVOACEIYYSTA-OAHLLOKOSA-N 2 0 359.901 3.543 20 0 FHADRP COC(=O)c1cc2cc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)ccc2o1 ZINC000610213145 928119730 /nfs/dbraw/zinc/11/97/30/928119730.db2.gz XQLJQJKUFZRASR-UHFFFAOYSA-N 2 0 358.482 3.772 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+](CCSC3CCCCC3)CC2)CC1 ZINC000375595441 928355015 /nfs/dbraw/zinc/35/50/15/928355015.db2.gz DYSGQYVTFDZFHS-UHFFFAOYSA-N 2 0 353.620 3.543 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170468 928458468 /nfs/dbraw/zinc/45/84/68/928458468.db2.gz FGJBNJGFXOAVHK-CJNGLKHVSA-N 2 0 370.324 3.786 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000154468459 928845206 /nfs/dbraw/zinc/84/52/06/928845206.db2.gz UISYQZABPLNZES-MRXNPFEDSA-N 2 0 368.363 3.517 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000274945819 929074776 /nfs/dbraw/zinc/07/47/76/929074776.db2.gz CJBQNULALMXWFQ-UHFFFAOYSA-N 2 0 362.876 3.726 20 0 FHADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000077450169 929403341 /nfs/dbraw/zinc/40/33/41/929403341.db2.gz JLDMTKWRXMOSJA-UHFFFAOYSA-N 2 0 362.558 3.534 20 0 FHADRP C[C@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000180438554 929510421 /nfs/dbraw/zinc/51/04/21/929510421.db2.gz YJCATDVJGQFEGX-QGZVFWFLSA-N 2 0 373.491 3.527 20 0 FHADRP Cc1ccc(C)c([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180495651 929526211 /nfs/dbraw/zinc/52/62/11/929526211.db2.gz USILLYCBZGCNIS-REWPJTCUSA-N 2 0 351.538 3.618 20 0 FHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000180497242 929531562 /nfs/dbraw/zinc/53/15/62/929531562.db2.gz HZFOBCXBHLBCSD-UWJYYQICSA-N 2 0 357.929 3.655 20 0 FHADRP Cc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515922 929535594 /nfs/dbraw/zinc/53/55/94/929535594.db2.gz LNAKJGDOIJVALJ-PKTZIBPZSA-N 2 0 352.522 3.911 20 0 FHADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121900508 929779310 /nfs/dbraw/zinc/77/93/10/929779310.db2.gz IKOLVWPFJYXHMP-UHFFFAOYSA-N 2 0 353.510 3.616 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151958766 930050686 /nfs/dbraw/zinc/05/06/86/930050686.db2.gz DSQQRGQLEUACHY-RBUKOAKNSA-N 2 0 361.549 3.543 20 0 FHADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000278220515 937381531 /nfs/dbraw/zinc/38/15/31/937381531.db2.gz IGLKNAJLLUPQHO-UHFFFAOYSA-N 2 0 355.526 3.528 20 0 FHADRP COc1ccc([C@@H](CC(C)C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000647289798 937401879 /nfs/dbraw/zinc/40/18/79/937401879.db2.gz KGYKBTCEYWEGTC-XMSQKQJNSA-N 2 0 360.542 3.873 20 0 FHADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000150970542 937409682 /nfs/dbraw/zinc/40/96/82/937409682.db2.gz PZCSELONPYJWMR-HSZRJFAPSA-N 2 0 369.553 3.915 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600964703 937426629 /nfs/dbraw/zinc/42/66/29/937426629.db2.gz URNNWFGMIPSXJY-NRFANRHFSA-N 2 0 357.542 3.552 20 0 FHADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156350995 937434004 /nfs/dbraw/zinc/43/40/04/937434004.db2.gz WQMOBARTHVILSG-LMNJBCLMSA-N 2 0 355.526 3.580 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000557040087 930687402 /nfs/dbraw/zinc/68/74/02/930687402.db2.gz XPSBHHFZWYNFGX-APWZRJJASA-N 2 0 372.538 3.672 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000580499072 930758984 /nfs/dbraw/zinc/75/89/84/930758984.db2.gz MRFKJLUSJPAYLN-QFIPXVFZSA-N 3 0 357.586 3.808 20 0 FHADRP c1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414956622 945069894 /nfs/dbraw/zinc/06/98/94/945069894.db2.gz ASLQVRKKYRNRSM-SFHVURJKSA-N 2 0 353.514 3.682 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000564601854 930822677 /nfs/dbraw/zinc/82/26/77/930822677.db2.gz YOOFDTQALAHIKH-XPWALMASSA-N 3 0 355.570 3.609 20 0 FHADRP Oc1ccc(C2CCC([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC2)cc1 ZINC000668439637 931267785 /nfs/dbraw/zinc/26/77/85/931267785.db2.gz CAACDJDNBZXSAJ-UHFFFAOYSA-N 2 0 372.553 3.899 20 0 FHADRP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)n1 ZINC000580876561 931288045 /nfs/dbraw/zinc/28/80/45/931288045.db2.gz SFKXNJMWDVFWFK-HXUWFJFHSA-N 2 0 366.509 3.693 20 0 FHADRP c1ccc(C[C@H]2CC[N@H+]2C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326315 /nfs/dbraw/zinc/32/63/15/931326315.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 0 350.506 3.595 20 0 FHADRP CO[C@H]1CCC[NH+](CC(C[N@H+]2CCC[C@H](OC)CC2)c2ccccc2)CC1 ZINC000639582238 931567671 /nfs/dbraw/zinc/56/76/71/931567671.db2.gz FOYGYUDYXIWKPS-GOTSBHOMSA-N 2 0 374.569 3.772 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC2CCOCC2)cc1 ZINC000656405107 931592828 /nfs/dbraw/zinc/59/28/28/931592828.db2.gz HVLYXXDRNISQBD-BJESRGMDSA-N 2 0 354.538 3.646 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC[C@H]2CCOC2)cc1 ZINC000656405637 931602624 /nfs/dbraw/zinc/60/26/24/931602624.db2.gz JZLCAIPOVXODAE-HPAIXVDQSA-N 2 0 354.538 3.646 20 0 FHADRP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000581192812 931653688 /nfs/dbraw/zinc/65/36/88/931653688.db2.gz ZKRYWHDVXYMIEL-RBBKRZOGSA-N 2 0 363.505 3.688 20 0 FHADRP CSC1(C[NH2+][C@@H](C)c2ccc(Br)s2)CC[NH+](C)CC1 ZINC000581220980 931696496 /nfs/dbraw/zinc/69/64/96/931696496.db2.gz SBWNREMMFKYBIT-NSHDSACASA-N 2 0 363.390 3.989 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581255465 931743479 /nfs/dbraw/zinc/74/34/79/931743479.db2.gz IOWMMLIQECQZOG-IRXDYDNUSA-N 2 0 365.587 3.504 20 0 FHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581458113 932090570 /nfs/dbraw/zinc/09/05/70/932090570.db2.gz BUFMTWWHFJHMHJ-FPOVZHCZSA-N 2 0 352.526 3.689 20 0 FHADRP FC(F)(F)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC1CCCC1 ZINC000668486949 932279527 /nfs/dbraw/zinc/27/95/27/932279527.db2.gz JLLZVALYLWENTR-KRWDZBQOSA-N 2 0 357.420 3.530 20 0 FHADRP CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CN1Cc1ccccc1 ZINC000090192003 932285476 /nfs/dbraw/zinc/28/54/76/932285476.db2.gz PRZXEKJPJBLKML-SVFBPWRDSA-N 2 0 360.567 3.684 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(CC(F)(F)F)C2)CC1 ZINC000656686585 932328622 /nfs/dbraw/zinc/32/86/22/932328622.db2.gz OYZDUUWRLBXAGZ-UHFFFAOYSA-N 2 0 355.448 3.603 20 0 FHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000581630613 932351265 /nfs/dbraw/zinc/35/12/65/932351265.db2.gz VTZYAKBVIPBBIE-LJQANCHMSA-N 2 0 355.457 3.723 20 0 FHADRP CCOc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC(F)F ZINC000656785567 932420512 /nfs/dbraw/zinc/42/05/12/932420512.db2.gz MGIOKCTXJNNMAB-INIZCTEOSA-N 2 0 368.468 3.898 20 0 FHADRP COc1c(Br)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786606 932422442 /nfs/dbraw/zinc/42/24/42/932422442.db2.gz OCEUKQSOTJDBTI-OAHLLOKOSA-N 2 0 367.331 3.669 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cccc3cccnc32)cc1F ZINC000656790671 932426867 /nfs/dbraw/zinc/42/68/67/932426867.db2.gz IDGXORFMDJURQY-ICSRJNTNSA-N 2 0 365.452 3.618 20 0 FHADRP CO[C@H]1CCC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684385708 932497542 /nfs/dbraw/zinc/49/75/42/932497542.db2.gz ZDMHQWSQECXGJQ-UNMCSNQZSA-N 2 0 360.542 3.605 20 0 FHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(Br)ccc2O)C1 ZINC000155274678 932577213 /nfs/dbraw/zinc/57/72/13/932577213.db2.gz WGAJTSKVTOBJKF-CJNGLKHVSA-N 2 0 355.320 3.927 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000581748726 932600780 /nfs/dbraw/zinc/60/07/80/932600780.db2.gz NZFXVYKBAROWJH-IFMALSPDSA-N 2 0 367.537 3.913 20 0 FHADRP Cc1ccccc1NC(=O)CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471835801 933087675 /nfs/dbraw/zinc/08/76/75/933087675.db2.gz QKWHZQKRNFHUKH-UNMCSNQZSA-N 2 0 365.521 3.606 20 0 FHADRP CCC[NH+]1CCC([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)CC1 ZINC000276735561 933100040 /nfs/dbraw/zinc/10/00/40/933100040.db2.gz FUTGUKCIKGGACJ-UHFFFAOYSA-N 2 0 373.522 3.561 20 0 FHADRP CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OC(F)F ZINC000131789063 933170568 /nfs/dbraw/zinc/17/05/68/933170568.db2.gz ILKKUBGMNHBQFX-MQVJKMGUSA-N 2 0 354.441 3.792 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000430755736 933208849 /nfs/dbraw/zinc/20/88/49/933208849.db2.gz RNKWNAKPRHKDCW-OALUTQOASA-N 2 0 362.583 3.741 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000510627510 933318047 /nfs/dbraw/zinc/31/80/47/933318047.db2.gz DCPBVEWAGHNVJK-UHFFFAOYSA-N 2 0 373.585 3.856 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000430931469 933427103 /nfs/dbraw/zinc/42/71/03/933427103.db2.gz DIFOMKPRZYBQGU-GFCCVEGCSA-N 2 0 368.403 3.748 20 0 FHADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430962256 933503033 /nfs/dbraw/zinc/50/30/33/933503033.db2.gz GWDRZLQWVAFTHC-OAQYLSRUSA-N 2 0 371.569 3.579 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956206 933516248 /nfs/dbraw/zinc/51/62/48/933516248.db2.gz MYYSVDONXTYRNT-BZNIZROVSA-N 2 0 355.345 3.821 20 0 FHADRP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956209 933516758 /nfs/dbraw/zinc/51/67/58/933516758.db2.gz MYYSVDONXTYRNT-ZBEGNZNMSA-N 2 0 355.345 3.821 20 0 FHADRP Cc1cccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cccc(F)c2)c1 ZINC000510719904 933527222 /nfs/dbraw/zinc/52/72/22/933527222.db2.gz VKMSYIAULDYHRX-QFIPXVFZSA-N 2 0 356.485 3.517 20 0 FHADRP CCN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431034026 933716739 /nfs/dbraw/zinc/71/67/39/933716739.db2.gz MAFAUXFOIGPJEO-YVNJGZBMSA-N 2 0 371.569 3.696 20 0 FHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684556623 933881091 /nfs/dbraw/zinc/88/10/91/933881091.db2.gz BSJOJFAQEZFXGZ-CZAYHTPWSA-N 2 0 364.537 3.688 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000548449486 933895770 /nfs/dbraw/zinc/89/57/70/933895770.db2.gz JMENDGFONIYMKI-ROUUACIJSA-N 2 0 359.558 3.844 20 0 FHADRP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(SC)cc1OC ZINC000092380944 934031527 /nfs/dbraw/zinc/03/15/27/934031527.db2.gz LOKWGQJLMWFNHE-UHFFFAOYSA-N 2 0 352.544 3.589 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000132344977 934041520 /nfs/dbraw/zinc/04/15/20/934041520.db2.gz ZXNMXHCRHLNYQP-KDOFPFPSSA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000132418056 934052767 /nfs/dbraw/zinc/05/27/67/934052767.db2.gz LLZLCRTYIJLHJL-RHSMWYFYSA-N 2 0 358.357 3.916 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003249 934159565 /nfs/dbraw/zinc/15/95/65/934159565.db2.gz CDBPNZGRKYGHMB-IOMROCGXSA-N 2 0 366.505 3.930 20 0 FHADRP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548486845 934161793 /nfs/dbraw/zinc/16/17/93/934161793.db2.gz MZCKYFAPZYPKRL-QUCCMNQESA-N 2 0 362.521 3.616 20 0 FHADRP CC1CCC([NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)CC1 ZINC000569572692 934168427 /nfs/dbraw/zinc/16/84/27/934168427.db2.gz JBCTZHKREBSYQJ-UHFFFAOYSA-N 2 0 369.553 3.619 20 0 FHADRP Cc1ncsc1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535674452 934267396 /nfs/dbraw/zinc/26/73/96/934267396.db2.gz FAAFMPIHPYMXNX-UHFFFAOYSA-N 2 0 355.551 3.982 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccn1)C1CC[NH+](C)CC1 ZINC000535780875 934370444 /nfs/dbraw/zinc/37/04/44/934370444.db2.gz YFLULBMVQWTFNE-HSZRJFAPSA-N 2 0 364.537 3.949 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnc(-c2ccsc2)s1 ZINC000535808838 934416899 /nfs/dbraw/zinc/41/68/99/934416899.db2.gz ZFLYQJIFAVJHSB-HYVNUMGLSA-N 2 0 363.552 3.555 20 0 FHADRP O=C(c1cc2c[nH]ccc-2n1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000934011047 934424363 /nfs/dbraw/zinc/42/43/63/934424363.db2.gz IRPKIWXAEGXLDX-HSZRJFAPSA-N 2 0 374.488 3.691 20 0 FHADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181065304 934527045 /nfs/dbraw/zinc/52/70/45/934527045.db2.gz GKVHBLRLKFVXDK-ZACQAIPSSA-N 2 0 357.498 3.710 20 0 FHADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000236634028 934755943 /nfs/dbraw/zinc/75/59/43/934755943.db2.gz IDEJKLSVRQYHPE-JOCHJYFZSA-N 2 0 365.521 3.625 20 0 FHADRP CCN(CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500863 934819424 /nfs/dbraw/zinc/81/94/24/934819424.db2.gz XCIRSRIEYFWNSP-LJQANCHMSA-N 2 0 371.491 3.715 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OCC(F)(F)F ZINC000101591876 934843723 /nfs/dbraw/zinc/84/37/23/934843723.db2.gz MODNSPSXQAFNJF-HNNXBMFYSA-N 2 0 372.431 3.600 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892041629 934878001 /nfs/dbraw/zinc/87/80/01/934878001.db2.gz JCRBSYGGKIPAMG-DJPFJPOOSA-N 2 0 372.557 3.536 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657296142 934991935 /nfs/dbraw/zinc/99/19/35/934991935.db2.gz AQVOUBDCRBGWAB-UHFFFAOYSA-N 2 0 354.420 3.571 20 0 FHADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C4CCCC4)c3)cn2)CC1 ZINC000657301984 935028051 /nfs/dbraw/zinc/02/80/51/935028051.db2.gz LHKLMVLDWXSETC-UHFFFAOYSA-N 2 0 364.537 3.781 20 0 FHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657303486 935041828 /nfs/dbraw/zinc/04/18/28/935041828.db2.gz PHAIXNVFQHWIFN-UHFFFAOYSA-N 2 0 360.505 3.848 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657313134 935116612 /nfs/dbraw/zinc/11/66/12/935116612.db2.gz FXUOTGJFNKEMCM-HDICACEKSA-N 2 0 352.526 3.597 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000438826346 945083817 /nfs/dbraw/zinc/08/38/17/945083817.db2.gz MONPHDLYWLRHIY-ATKRNPRHSA-N 2 0 364.537 3.693 20 0 FHADRP COCc1csc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000657335319 935257666 /nfs/dbraw/zinc/25/76/66/935257666.db2.gz FLSWVANHLVXDCH-UHFFFAOYSA-N 2 0 374.550 3.905 20 0 FHADRP CCc1ccc(-c2ccc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)o2)cc1 ZINC000472165373 935267145 /nfs/dbraw/zinc/26/71/45/935267145.db2.gz PLXLUUPNJGUECA-GOSISDBHSA-N 2 0 355.526 3.625 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000582181851 935382333 /nfs/dbraw/zinc/38/23/33/935382333.db2.gz VRSKDZDIAGIAAK-PLWAMTLXSA-N 2 0 363.505 3.740 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)o1 ZINC000684797877 935415122 /nfs/dbraw/zinc/41/51/22/935415122.db2.gz OMGLMAIVRVEJTL-GOSISDBHSA-N 2 0 361.530 3.648 20 0 FHADRP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000548716545 935463278 /nfs/dbraw/zinc/46/32/78/935463278.db2.gz FJPBVSLVNXYJPU-UHFFFAOYSA-N 2 0 371.569 3.764 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548716360 935463306 /nfs/dbraw/zinc/46/33/06/935463306.db2.gz FBMDJFMMOPYCAT-RTBURBONSA-N 2 0 351.579 3.515 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000582268320 935470296 /nfs/dbraw/zinc/47/02/96/935470296.db2.gz IULFWUVCBUXFOZ-KRWDZBQOSA-N 2 0 366.933 3.911 20 0 FHADRP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)cc21 ZINC000657390317 935507721 /nfs/dbraw/zinc/50/77/21/935507721.db2.gz WIAQDSCXFRCGKW-UHFFFAOYSA-N 2 0 363.505 3.723 20 0 FHADRP CCCOc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1OC ZINC000647248537 935546960 /nfs/dbraw/zinc/54/69/60/935546960.db2.gz HGVUHISBGDXYRB-RTWAWAEBSA-N 2 0 368.521 3.919 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1)C1CC1 ZINC000511110517 935623311 /nfs/dbraw/zinc/62/33/11/935623311.db2.gz UTVZWLGLYKCDRJ-UHFFFAOYSA-N 2 0 365.521 3.663 20 0 FHADRP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+]1CCCCC1 ZINC000519108706 945114715 /nfs/dbraw/zinc/11/47/15/945114715.db2.gz VPNSWUVOQPZFEX-NRFANRHFSA-N 2 0 357.542 3.774 20 0 FHADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CC4(C3)CCCCC4)c2)C1 ZINC000582413944 935668120 /nfs/dbraw/zinc/66/81/20/935668120.db2.gz NEEJGRRUZMTNNA-HXUWFJFHSA-N 2 0 369.553 3.586 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000582414394 935670954 /nfs/dbraw/zinc/67/09/54/935670954.db2.gz GQMIQXUEYMJIOS-BTYIYWSLSA-N 2 0 372.944 3.990 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000657431339 935715564 /nfs/dbraw/zinc/71/55/64/935715564.db2.gz ZWKMHSZZRSROPC-NLWGTHIKSA-N 2 0 360.542 3.843 20 0 FHADRP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(CC2CC2)n1 ZINC000657433253 935723117 /nfs/dbraw/zinc/72/31/17/935723117.db2.gz YWTTYFOCGOTFCO-PMVMPFDFSA-N 2 0 364.537 3.683 20 0 FHADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000051793733 935882002 /nfs/dbraw/zinc/88/20/02/935882002.db2.gz KOUGANHDSPQBHH-FQEVSTJZSA-N 2 0 352.469 3.586 20 0 FHADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684960331 935907179 /nfs/dbraw/zinc/90/71/79/935907179.db2.gz OSYGOKIBVPHIGA-QFIPXVFZSA-N 2 0 365.521 3.766 20 0 FHADRP Clc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535185 935972411 /nfs/dbraw/zinc/97/24/11/935972411.db2.gz IAJUOAWJJWUNKJ-UHFFFAOYSA-N 2 0 357.325 3.974 20 0 FHADRP CCc1oc2ccccc2c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535710 935975393 /nfs/dbraw/zinc/97/53/93/935975393.db2.gz AQORZDCJUZAFFP-UHFFFAOYSA-N 2 0 356.510 3.976 20 0 FHADRP Cc1cc2cc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)oc2cc1C ZINC000657594647 936074946 /nfs/dbraw/zinc/07/49/46/936074946.db2.gz JSFAYCDMMOQKBL-NRFANRHFSA-N 2 0 364.489 3.906 20 0 FHADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596232 936076193 /nfs/dbraw/zinc/07/61/93/936076193.db2.gz MPWLQCDJIDHQBM-IIBYNOLFSA-N 2 0 358.913 3.627 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000237478377 936076424 /nfs/dbraw/zinc/07/64/24/936076424.db2.gz VJHYCRNUXPKLAH-PMACEKPBSA-N 2 0 371.569 3.705 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc4ccccc34)cc2)C1 ZINC000657595553 936077115 /nfs/dbraw/zinc/07/71/15/936077115.db2.gz QSVGPFRHSQMEOT-LJQANCHMSA-N 2 0 352.503 3.758 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000657671142 936216832 /nfs/dbraw/zinc/21/68/32/936216832.db2.gz KWNSCYHYXUFHMU-LJQANCHMSA-N 2 0 351.485 3.744 20 0 FHADRP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000657692396 936256654 /nfs/dbraw/zinc/25/66/54/936256654.db2.gz UCSADIFAGBYLCX-QFIPXVFZSA-N 2 0 352.478 3.644 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000090936817 936279156 /nfs/dbraw/zinc/27/91/56/936279156.db2.gz DUCZSMWEYNLCJQ-GZRFBZBPSA-N 2 0 367.940 3.792 20 0 FHADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000150992882 938260065 /nfs/dbraw/zinc/26/00/65/938260065.db2.gz MYFOVXGKDXUYCC-SFHVURJKSA-N 2 0 368.363 3.516 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000472290734 938280799 /nfs/dbraw/zinc/28/07/99/938280799.db2.gz DDCLDALSGLKJSY-FQEVSTJZSA-N 2 0 360.542 3.747 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000650707807 938287575 /nfs/dbraw/zinc/28/75/75/938287575.db2.gz NMIGVNWZECRKQZ-OGWOLHLISA-N 2 0 359.901 3.607 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708152 938287976 /nfs/dbraw/zinc/28/79/76/938287976.db2.gz UJUIIMUFPDVXQZ-SQWLQELKSA-N 2 0 363.552 3.590 20 0 FHADRP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278295421 938290447 /nfs/dbraw/zinc/29/04/47/938290447.db2.gz CETOUHNUKWHLFX-UHFFFAOYSA-N 2 0 366.431 3.556 20 0 FHADRP c1sc(COc2ccccc2)nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278300094 938293442 /nfs/dbraw/zinc/29/34/42/938293442.db2.gz CSDADASGCPXTHI-UHFFFAOYSA-N 2 0 357.523 3.686 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000728570077 938295122 /nfs/dbraw/zinc/29/51/22/938295122.db2.gz ATHXWHKNFJBCLI-UHFFFAOYSA-N 2 0 356.510 3.964 20 0 FHADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000052441484 938307317 /nfs/dbraw/zinc/30/73/17/938307317.db2.gz WCVSTHDEWOAULD-SFHVURJKSA-N 2 0 356.432 3.547 20 0 FHADRP CCO[C@H](CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000151057461 938308986 /nfs/dbraw/zinc/30/89/86/938308986.db2.gz GOZSHXDNHQFGLG-JOCHJYFZSA-N 2 0 361.574 3.758 20 0 FHADRP CC(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722410 938309609 /nfs/dbraw/zinc/30/96/09/938309609.db2.gz RYXIFIILWLYYQE-NNWRFLSQSA-N 2 0 360.542 3.972 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(OC3CCCC3)c2)C1 ZINC000650721937 938310367 /nfs/dbraw/zinc/31/03/67/938310367.db2.gz GMMGIZRIRGRDKU-STZQEDGTSA-N 2 0 358.526 3.869 20 0 FHADRP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246294329 938355674 /nfs/dbraw/zinc/35/56/74/938355674.db2.gz NMNVEKVKIBHIOM-KRXUUXHPSA-N 2 0 371.569 3.524 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000583800741 938416211 /nfs/dbraw/zinc/41/62/11/938416211.db2.gz FJYKFGOAXZEOBV-UHFFFAOYSA-N 2 0 358.530 3.571 20 0 FHADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)N2 ZINC000650759954 938432596 /nfs/dbraw/zinc/43/25/96/938432596.db2.gz UPUREZGQHMZLAG-JZWVFAODSA-N 2 0 363.505 3.649 20 0 FHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000650764239 938451005 /nfs/dbraw/zinc/45/10/05/938451005.db2.gz UDCBDYAQIPYGAR-NSHDSACASA-N 2 0 364.383 3.930 20 0 FHADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000583964626 938508335 /nfs/dbraw/zinc/50/83/35/938508335.db2.gz VABKQZWNJQPUPL-NRFANRHFSA-N 2 0 363.509 3.575 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000584012310 938543039 /nfs/dbraw/zinc/54/30/39/938543039.db2.gz LIEIWUXUUOFBGQ-LZNRXBQRSA-N 2 0 372.940 3.916 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000584021116 938550855 /nfs/dbraw/zinc/55/08/55/938550855.db2.gz HFCNWOMVOJGIJX-ICFOKQHNSA-N 2 0 369.475 3.678 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000133168072 938563774 /nfs/dbraw/zinc/56/37/74/938563774.db2.gz FREBINOEYLDKAT-GJZGRUSLSA-N 2 0 372.431 3.737 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000657838612 938676439 /nfs/dbraw/zinc/67/64/39/938676439.db2.gz WQALRCPGQMTVIO-WMZHIEFXSA-N 2 0 374.569 3.982 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000151793876 938681321 /nfs/dbraw/zinc/68/13/21/938681321.db2.gz ORYCKQDWHZYXRM-QFIPXVFZSA-N 2 0 374.475 3.543 20 0 FHADRP CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000708503656 938692792 /nfs/dbraw/zinc/69/27/92/938692792.db2.gz KAHQNOBANSBBMF-RXVVDRJESA-N 2 0 368.521 3.952 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657839971 938702943 /nfs/dbraw/zinc/70/29/43/938702943.db2.gz JSKRGWNNDHOXRH-LVCYWYKZSA-N 2 0 352.526 3.986 20 0 FHADRP C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000574982088 938799160 /nfs/dbraw/zinc/79/91/60/938799160.db2.gz IHUSIAKQXHEIIG-INIZCTEOSA-N 2 0 361.493 3.790 20 0 FHADRP Clc1cccc(-c2noc(CC[NH2+]C3CC[NH+](C4CCCC4)CC3)n2)c1 ZINC000089728377 938863009 /nfs/dbraw/zinc/86/30/09/938863009.db2.gz JSISUXIYHSSIHY-UHFFFAOYSA-N 2 0 374.916 3.929 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285130 938899236 /nfs/dbraw/zinc/89/92/36/938899236.db2.gz KNDHXJFKPPHELO-IBGZPJMESA-N 2 0 369.475 3.774 20 0 FHADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000536214314 938930228 /nfs/dbraw/zinc/93/02/28/938930228.db2.gz JQMCRCIQVRZMHM-NRFANRHFSA-N 2 0 365.521 3.907 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000093769396 938930290 /nfs/dbraw/zinc/93/02/90/938930290.db2.gz LCCDGFYBRISSPT-UHFFFAOYSA-N 2 0 353.576 3.837 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000093844583 938930775 /nfs/dbraw/zinc/93/07/75/938930775.db2.gz RHZZTUOQNMVEES-IBGZPJMESA-N 2 0 367.541 3.744 20 0 FHADRP COC1CCC([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093415041 938933573 /nfs/dbraw/zinc/93/35/73/938933573.db2.gz FHXHUDCYOSLEAI-UHFFFAOYSA-N 2 0 359.558 3.606 20 0 FHADRP CCOC1CCC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000657870834 938944464 /nfs/dbraw/zinc/94/44/64/938944464.db2.gz GFRPYFPYDVAUJG-IVMQYODDSA-N 2 0 363.521 3.576 20 0 FHADRP c1cncc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000685451771 938987452 /nfs/dbraw/zinc/98/74/52/938987452.db2.gz AOZCJOZVYNIQSA-QFIPXVFZSA-N 2 0 351.494 3.893 20 0 FHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685456669 938987767 /nfs/dbraw/zinc/98/77/67/938987767.db2.gz BJOUTMORZPUXMM-UHFFFAOYSA-N 2 0 365.521 3.663 20 0 FHADRP CC(C)CCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457305 938987845 /nfs/dbraw/zinc/98/78/45/938987845.db2.gz VQHZMUFGHYCMBL-QFIPXVFZSA-N 2 0 373.585 3.712 20 0 FHADRP CCOC1CCC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000657935952 939009381 /nfs/dbraw/zinc/00/93/81/939009381.db2.gz CFLYTIXMCGEKME-UHFFFAOYSA-N 2 0 360.542 3.641 20 0 FHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611977035 939009454 /nfs/dbraw/zinc/00/94/54/939009454.db2.gz AQJQBAUTSXBQAA-NRFANRHFSA-N 2 0 365.521 3.875 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C(F)F ZINC000657938719 939009667 /nfs/dbraw/zinc/00/96/67/939009667.db2.gz PSNKEWGURTZCKT-MRXNPFEDSA-N 2 0 354.485 3.973 20 0 FHADRP c1cc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657970840 939013683 /nfs/dbraw/zinc/01/36/83/939013683.db2.gz HXGMJNNQLOATLP-WOZUAGRISA-N 2 0 350.510 3.608 20 0 FHADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc2ccncc2s1 ZINC000658012891 939018045 /nfs/dbraw/zinc/01/80/45/939018045.db2.gz JHUIWISDEBXJLU-HNNXBMFYSA-N 2 0 370.522 3.873 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658004351 939018519 /nfs/dbraw/zinc/01/85/19/939018519.db2.gz YLGLGWYNWOZEEH-GOSISDBHSA-N 2 0 371.491 3.642 20 0 FHADRP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066748 939021479 /nfs/dbraw/zinc/02/14/79/939021479.db2.gz DOZGWCAHAKKXRT-NRFANRHFSA-N 2 0 370.537 3.914 20 0 FHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071701 939021908 /nfs/dbraw/zinc/02/19/08/939021908.db2.gz XRNWLVGJXGRDTF-IBGZPJMESA-N 2 0 370.581 3.977 20 0 FHADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071585 939021916 /nfs/dbraw/zinc/02/19/16/939021916.db2.gz XNTGGEDOHBEPGQ-NRFANRHFSA-N 2 0 358.526 3.553 20 0 FHADRP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000658114107 939024500 /nfs/dbraw/zinc/02/45/00/939024500.db2.gz MHWSRAITXGZAAI-FQUXPLTJSA-N 2 0 374.569 3.585 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccnc3ccccc23)[C@@H](C)C1 ZINC000658126666 939034082 /nfs/dbraw/zinc/03/40/82/939034082.db2.gz HCSFSNWGRNMSFO-GHTZIAJQSA-N 2 0 355.526 3.504 20 0 FHADRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658141482 939034927 /nfs/dbraw/zinc/03/49/27/939034927.db2.gz BMNPHESFYWAYEP-UWJYYQICSA-N 2 0 354.494 3.503 20 0 FHADRP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143161 939035883 /nfs/dbraw/zinc/03/58/83/939035883.db2.gz XGAQYEVDNYLJHH-UTKZUKDTSA-N 2 0 356.485 3.503 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145302 939037571 /nfs/dbraw/zinc/03/75/71/939037571.db2.gz RKIWZZULWMAMBB-OXQOHEQNSA-N 2 0 350.462 3.850 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145297 939037719 /nfs/dbraw/zinc/03/77/19/939037719.db2.gz RKIWZZULWMAMBB-JXFKEZNVSA-N 2 0 350.462 3.850 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2ccccc2o1 ZINC000658145304 939037736 /nfs/dbraw/zinc/03/77/36/939037736.db2.gz RKIWZZULWMAMBB-UZLBHIALSA-N 2 0 350.462 3.850 20 0 FHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137368 939040953 /nfs/dbraw/zinc/04/09/53/939040953.db2.gz GNMCBWBTJLJDSS-BEFAXECRSA-N 2 0 373.566 3.992 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138846 939041059 /nfs/dbraw/zinc/04/10/59/939041059.db2.gz OOICFGUOBJSCFK-FPOVZHCZSA-N 2 0 356.897 3.684 20 0 FHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138646 939041948 /nfs/dbraw/zinc/04/19/48/939041948.db2.gz OELANUVPGJKZSK-LAUBAEHRSA-N 2 0 364.489 3.720 20 0 FHADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658165317 939053968 /nfs/dbraw/zinc/05/39/68/939053968.db2.gz ILTRZGCBOVEZCV-LEWJYISDSA-N 2 0 359.558 3.723 20 0 FHADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCCO2 ZINC000658168822 939055533 /nfs/dbraw/zinc/05/55/33/939055533.db2.gz ZIUJGNRIFKGIDJ-OAQYLSRUSA-N 2 0 369.484 3.936 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168811 939055642 /nfs/dbraw/zinc/05/56/42/939055642.db2.gz ZHRCASFBGJEWOT-NRFANRHFSA-N 2 0 369.484 3.718 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000658313243 939108141 /nfs/dbraw/zinc/10/81/41/939108141.db2.gz LHRFELKZGRDQAU-YDPRHXJPSA-N 2 0 374.569 3.587 20 0 FHADRP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658318655 939110394 /nfs/dbraw/zinc/11/03/94/939110394.db2.gz RLZYJGXXFRZCPN-PMACEKPBSA-N 2 0 350.510 3.610 20 0 FHADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319788 939111218 /nfs/dbraw/zinc/11/12/18/939111218.db2.gz IVRRUHQRQAIIGS-PZJWPPBQSA-N 2 0 371.569 3.525 20 0 FHADRP CC(C)[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320577 939111528 /nfs/dbraw/zinc/11/15/28/939111528.db2.gz ZTVOLDNRKIEIEA-OAQYLSRUSA-N 2 0 355.570 3.751 20 0 FHADRP NC(=O)CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000658341823 939118366 /nfs/dbraw/zinc/11/83/66/939118366.db2.gz AREGLISCNHSTRH-MZADTFQBSA-N 2 0 369.553 3.598 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658356190 939124964 /nfs/dbraw/zinc/12/49/64/939124964.db2.gz MSKWQYRYUDLQSN-SJORKVTESA-N 2 0 360.542 3.907 20 0 FHADRP O=C1Nc2ccccc2C12CCC([NH2+]CC1CC[NH+](CC3CC3)CC1)CC2 ZINC000658358068 939125488 /nfs/dbraw/zinc/12/54/88/939125488.db2.gz YANIDMSKVFVIMZ-UHFFFAOYSA-N 2 0 367.537 3.531 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414970104 945245887 /nfs/dbraw/zinc/24/58/87/945245887.db2.gz JYBIPSBPYZYYOB-LJQANCHMSA-N 2 0 360.933 3.823 20 0 FHADRP COc1ccc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)c(Cl)c1 ZINC000507467954 945255221 /nfs/dbraw/zinc/25/52/21/945255221.db2.gz GKILTSMHLXRHOJ-UHFFFAOYSA-N 2 0 364.839 3.898 20 0 FHADRP CCC(CC)(CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000427315765 945265278 /nfs/dbraw/zinc/26/52/78/945265278.db2.gz PEHPZPJAGFEWSY-RBUKOAKNSA-N 2 0 359.558 3.792 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000427317064 945266937 /nfs/dbraw/zinc/26/69/37/945266937.db2.gz UAIRWYKULWAVNY-LPHOPBHVSA-N 2 0 365.949 3.619 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000511848608 945268352 /nfs/dbraw/zinc/26/83/52/945268352.db2.gz DNSAOCQNIUESJU-LJQANCHMSA-N 2 0 359.558 3.770 20 0 FHADRP FC(F)Oc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Br ZINC000414972092 945269695 /nfs/dbraw/zinc/26/96/95/945269695.db2.gz LXIRCHKJEBYOPY-LBPRGKRZSA-N 2 0 363.246 3.672 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507488327 945274943 /nfs/dbraw/zinc/27/49/43/945274943.db2.gz UHUQNJKVBPBHGJ-QPXUXIHVSA-N 2 0 364.533 3.783 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1)C1CC1 ZINC000511853098 945278989 /nfs/dbraw/zinc/27/89/89/945278989.db2.gz IKNSRCMWMFTHPU-UHFFFAOYSA-N 2 0 357.542 3.664 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCOC1 ZINC000507516746 945279883 /nfs/dbraw/zinc/27/98/83/945279883.db2.gz XRFACYNMPBNZGU-APWZRJJASA-N 2 0 350.934 3.957 20 0 FHADRP CSc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000507507054 945286304 /nfs/dbraw/zinc/28/63/04/945286304.db2.gz HBSCYYGXLHKPSX-SLFFLAALSA-N 2 0 353.535 3.804 20 0 FHADRP Clc1nc(Sc2ccccc2)sc1C[NH2+]CCn1ccnc1 ZINC000065888645 940031609 /nfs/dbraw/zinc/03/16/09/940031609.db2.gz LWGUILWISGTOQT-UHFFFAOYSA-N 2 0 350.900 3.934 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)nc1 ZINC000647479680 940054248 /nfs/dbraw/zinc/05/42/48/940054248.db2.gz PLZJMSMXZZJVRX-UGKGYDQZSA-N 2 0 351.494 3.625 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414903410 945295499 /nfs/dbraw/zinc/29/54/99/945295499.db2.gz JUUIOXBXMYZWED-GOSISDBHSA-N 2 0 356.514 3.545 20 0 FHADRP CC[C@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647497778 940377322 /nfs/dbraw/zinc/37/73/22/940377322.db2.gz VDSWRQPHDIVFOJ-OXJNMPFZSA-N 2 0 370.541 3.873 20 0 FHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000289772830 940394386 /nfs/dbraw/zinc/39/43/86/940394386.db2.gz JXNXCSJGKAVFTM-FHWLQOOXSA-N 2 0 370.459 3.988 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc1Cn1cccn1 ZINC000177836746 940459750 /nfs/dbraw/zinc/45/97/50/940459750.db2.gz VEJFDAZVJYHDHX-SFHVURJKSA-N 2 0 370.541 3.711 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000414063551 940473968 /nfs/dbraw/zinc/47/39/68/940473968.db2.gz CVLRJQKEMVYIFC-INIZCTEOSA-N 2 0 359.539 3.585 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760561 940478677 /nfs/dbraw/zinc/47/86/77/940478677.db2.gz XLUXEFMJMQLKTA-DENIHFKCSA-N 2 0 371.569 3.799 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414093420 940498090 /nfs/dbraw/zinc/49/80/90/940498090.db2.gz NYYYRHQTMLOCGT-LRGNLBRXSA-N 2 0 362.945 3.944 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000507576113 945328019 /nfs/dbraw/zinc/32/80/19/945328019.db2.gz RDCXWRNCKSUYKL-INIZCTEOSA-N 2 0 370.335 3.616 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000652139047 945332108 /nfs/dbraw/zinc/33/21/08/945332108.db2.gz ZRQMMUUXKXCJQB-YADHBBJMSA-N 2 0 358.574 3.565 20 0 FHADRP COc1ccc(C[NH+](C)C/C=C/C[N@@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000613351363 940623481 /nfs/dbraw/zinc/62/34/81/940623481.db2.gz GEYNRICUNBXDOA-AATRIKPKSA-N 2 0 354.494 3.824 20 0 FHADRP COc1ccccc1C[NH+](C)C/C=C\C[N@@H+](C)Cc1ccccc1OC ZINC000613360860 940630345 /nfs/dbraw/zinc/63/03/45/940630345.db2.gz RAHKFICZNZYCNP-KTKRTIGZSA-N 2 0 354.494 3.824 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)cc1)C(C)C ZINC000519359136 945336562 /nfs/dbraw/zinc/33/65/62/945336562.db2.gz HJCVAZXIBLEUBU-KDURUIRLSA-N 2 0 359.558 3.910 20 0 FHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000414132681 940641315 /nfs/dbraw/zinc/64/13/15/940641315.db2.gz ZNDRYNHWHAIBHQ-NHCUHLMSSA-N 2 0 374.569 3.715 20 0 FHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000414132683 940641376 /nfs/dbraw/zinc/64/13/76/940641376.db2.gz ZNDRYNHWHAIBHQ-SFTDATJTSA-N 2 0 374.569 3.715 20 0 FHADRP CC(C)(CO)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccnc1 ZINC000660636876 945337241 /nfs/dbraw/zinc/33/72/41/945337241.db2.gz DLOAXHIUFWULAL-JOCHJYFZSA-N 2 0 367.537 3.917 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414151692 940681145 /nfs/dbraw/zinc/68/11/45/940681145.db2.gz ZBCFUIRVLVFSPL-QFUCXCTJSA-N 2 0 363.977 3.982 20 0 FHADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000171128022 940737722 /nfs/dbraw/zinc/73/77/22/940737722.db2.gz OJPUEBQSAWEIFV-OAQYLSRUSA-N 2 0 357.929 3.657 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000613492399 940775415 /nfs/dbraw/zinc/77/54/15/940775415.db2.gz LQFZNKKBMHCKCN-RTWAWAEBSA-N 2 0 363.590 3.612 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221434 940791964 /nfs/dbraw/zinc/79/19/64/940791964.db2.gz KWWXSFIBFFHUSS-TZMOSPSESA-N 2 0 350.506 3.799 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000248881201 940824918 /nfs/dbraw/zinc/82/49/18/940824918.db2.gz KTFBNZFQQMYHHS-JTSKRJEESA-N 2 0 351.494 3.731 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582185 940949269 /nfs/dbraw/zinc/94/92/69/940949269.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 2 0 355.570 3.849 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000892617384 940977579 /nfs/dbraw/zinc/97/75/79/940977579.db2.gz WNWWADIBCBLDAQ-UHFFFAOYSA-N 2 0 355.482 3.704 20 0 FHADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414332499 940991253 /nfs/dbraw/zinc/99/12/53/940991253.db2.gz VGGQACIAYQARNK-UTKZUKDTSA-N 2 0 371.569 3.688 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccccc1 ZINC001167698711 941029596 /nfs/dbraw/zinc/02/95/96/941029596.db2.gz BQKMVKPCKHUTTB-IFMALSPDSA-N 2 0 367.537 3.783 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543762 941065604 /nfs/dbraw/zinc/06/56/04/941065604.db2.gz RRLURKLKMLAIEF-HOTGVXAUSA-N 2 0 354.441 3.508 20 0 FHADRP COc1sc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647543831 941065754 /nfs/dbraw/zinc/06/57/54/941065754.db2.gz SOTXWDNBWLVCRU-QWHCGFSZSA-N 2 0 373.360 3.731 20 0 FHADRP c1ccc(COCc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000647549203 941070881 /nfs/dbraw/zinc/07/08/81/941070881.db2.gz MZRJEUGDFDZKTQ-YTFSRNRJSA-N 2 0 350.506 3.881 20 0 FHADRP c1c[nH]c([C@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495228 941083583 /nfs/dbraw/zinc/08/35/83/941083583.db2.gz MAQQYJWHBFOBBF-HDICACEKSA-N 2 0 356.518 3.667 20 0 FHADRP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CCCCn1ccnc1 ZINC000892659183 941093228 /nfs/dbraw/zinc/09/32/28/941093228.db2.gz QYAQVVTUGMTGSP-UHFFFAOYSA-N 2 0 350.488 3.862 20 0 FHADRP CCc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000414404326 941104375 /nfs/dbraw/zinc/10/43/75/941104375.db2.gz HWRULONJOVQECW-UHFFFAOYSA-N 2 0 350.510 3.527 20 0 FHADRP C[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1c1ccccc1 ZINC000423527023 941124703 /nfs/dbraw/zinc/12/47/03/941124703.db2.gz LXGKAJYFOYOYCM-HHUJENDASA-N 2 0 353.554 3.565 20 0 FHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000377300059 941128452 /nfs/dbraw/zinc/12/84/52/941128452.db2.gz SSCLILHSACHHOP-SQNIBIBYSA-N 2 0 356.432 3.598 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000178368009 941237608 /nfs/dbraw/zinc/23/76/08/941237608.db2.gz HZPFVYJGIUFMMB-APWZRJJASA-N 2 0 369.475 3.656 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000659376772 941238474 /nfs/dbraw/zinc/23/84/74/941238474.db2.gz MXECDVOZKKAZQI-WIYYLYMNSA-N 2 0 359.558 3.898 20 0 FHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121018 941252598 /nfs/dbraw/zinc/25/25/98/941252598.db2.gz LTHDDHGSBGDLQD-DZGCQCFKSA-N 2 0 357.311 3.841 20 0 FHADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000311479454 941306115 /nfs/dbraw/zinc/30/61/15/941306115.db2.gz HHVPXWOZGGJFLS-UTKZUKDTSA-N 2 0 360.448 3.500 20 0 FHADRP CC(C)CCn1cccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000376614340 941367724 /nfs/dbraw/zinc/36/77/24/941367724.db2.gz GIJSRYFKJSIABE-UHFFFAOYSA-N 2 0 360.590 3.525 20 0 FHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636154 941369834 /nfs/dbraw/zinc/36/98/34/941369834.db2.gz DXKBHXPUJUDVHK-SVFBPWRDSA-N 2 0 361.599 3.515 20 0 FHADRP Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000472671415 941540662 /nfs/dbraw/zinc/54/06/62/941540662.db2.gz USFWGMSRNDRKMO-OAHLLOKOSA-N 2 0 360.933 3.943 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(I)cc1Cl ZINC000415022477 941545986 /nfs/dbraw/zinc/54/59/86/941545986.db2.gz ZREWXLOFANKOHB-JTQLQIEISA-N 2 0 366.674 3.552 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415026184 941548834 /nfs/dbraw/zinc/54/88/34/941548834.db2.gz STZVIWJTDNLAAD-MNOVXSKESA-N 2 0 365.827 3.793 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025684 941549221 /nfs/dbraw/zinc/54/92/21/941549221.db2.gz QTACKIREHFFWDG-RBSFLKMASA-N 2 0 371.447 3.777 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000415028707 941552958 /nfs/dbraw/zinc/55/29/58/941552958.db2.gz DDCRABHOXFWOLB-WMZOPIPTSA-N 2 0 350.466 3.658 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000415032718 941556168 /nfs/dbraw/zinc/55/61/68/941556168.db2.gz IELSDHWKOKKFMW-BXUZGUMPSA-N 2 0 366.328 3.790 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415042917 941562419 /nfs/dbraw/zinc/56/24/19/941562419.db2.gz RLTODCHKJROTMB-ZANVPECISA-N 2 0 351.210 3.685 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccccc1 ZINC000415048965 941566063 /nfs/dbraw/zinc/56/60/63/941566063.db2.gz GWNGHGYVYATFAN-OAHLLOKOSA-N 2 0 364.392 3.587 20 0 FHADRP CO[C@]1(C)CCC[N@H+](CCCCC[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377212725 941569150 /nfs/dbraw/zinc/56/91/50/941569150.db2.gz CUSQQRYBMUXLBM-OYRHEFFESA-N 2 0 354.579 3.939 20 0 FHADRP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059543 941570874 /nfs/dbraw/zinc/57/08/74/941570874.db2.gz XCXLVRJUPKTAIZ-JKSUJKDBSA-N 2 0 354.441 3.651 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057104 941576788 /nfs/dbraw/zinc/57/67/88/941576788.db2.gz TYUCSSMVVXVHJU-GHTZIAJQSA-N 2 0 352.526 3.960 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000472690434 941581361 /nfs/dbraw/zinc/58/13/61/941581361.db2.gz KGSXQRBWUXJARK-HKUYNNGSSA-N 2 0 372.488 3.930 20 0 FHADRP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000415075176 941586915 /nfs/dbraw/zinc/58/69/15/941586915.db2.gz BFASVSGVLVZVOC-OAHLLOKOSA-N 2 0 356.341 3.547 20 0 FHADRP Clc1cc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079448 941588390 /nfs/dbraw/zinc/58/83/90/941588390.db2.gz HXCXQZAXUZHADV-WMZOPIPTSA-N 2 0 358.869 3.694 20 0 FHADRP COc1cccc([C@H]([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086380 941595213 /nfs/dbraw/zinc/59/52/13/941595213.db2.gz RNXITXQPZCRKML-MCFFVMPBSA-N 2 0 372.484 3.910 20 0 FHADRP COc1cccc(C([NH2+]C2CCC(C[NH3+])CC2)c2cccc(OC)c2)c1 ZINC000415090693 941601750 /nfs/dbraw/zinc/60/17/50/941601750.db2.gz ZGPLWMIRMPESDD-UHFFFAOYSA-N 2 0 354.494 3.900 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122818 941619066 /nfs/dbraw/zinc/61/90/66/941619066.db2.gz ISBPKYXSLJGHMX-QFBILLFUSA-N 2 0 354.494 3.788 20 0 FHADRP NC1(C[NH2+]C/C=C/c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415123906 941619924 /nfs/dbraw/zinc/61/99/24/941619924.db2.gz BLUCGCHKFDIREW-QPJJXVBHSA-N 2 0 371.475 3.561 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415131343 941623973 /nfs/dbraw/zinc/62/39/73/941623973.db2.gz ZBBSVLYYCVFHSS-IFMALSPDSA-N 2 0 360.542 3.830 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc(C)c1OC(F)F ZINC000415135978 941625989 /nfs/dbraw/zinc/62/59/89/941625989.db2.gz WWUPDWMXSXPKBL-PKOBYXMFSA-N 2 0 368.468 3.623 20 0 FHADRP NC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137862 941626289 /nfs/dbraw/zinc/62/62/89/941626289.db2.gz UHJYMKURAFVBND-MSOLQXFVSA-N 2 0 369.475 3.691 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000377382789 941683629 /nfs/dbraw/zinc/68/36/29/941683629.db2.gz MMFZFRQFAVOUNH-WIYYLYMNSA-N 2 0 368.525 3.623 20 0 FHADRP CCc1cc2oc(=O)cc(C[NH+]3CCC(C[NH+](C)C)CC3)c2cc1Cl ZINC000729266310 941705518 /nfs/dbraw/zinc/70/55/18/941705518.db2.gz WWFXTDZDBQTVRI-UHFFFAOYSA-N 2 0 362.901 3.782 20 0 FHADRP Cc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000549247599 941740951 /nfs/dbraw/zinc/74/09/51/941740951.db2.gz WCZGJGGITKNTDO-OALUTQOASA-N 2 0 354.542 3.853 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430005895 941804470 /nfs/dbraw/zinc/80/44/70/941804470.db2.gz ODFFDNLNCSEVIN-KRWDZBQOSA-N 2 0 351.485 3.744 20 0 FHADRP CN(Cc1ccccc1)C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCC1 ZINC000644658262 941886473 /nfs/dbraw/zinc/88/64/73/941886473.db2.gz LWQVHJBLEAJISU-UHFFFAOYSA-N 2 0 369.484 3.799 20 0 FHADRP C[N@H+](Cc1cnc(C(F)(F)F)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377703203 941912192 /nfs/dbraw/zinc/91/21/92/941912192.db2.gz WFXWIWBQIUBGHX-UHFFFAOYSA-N 2 0 356.417 3.658 20 0 FHADRP CCC[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377704595 941913998 /nfs/dbraw/zinc/91/39/98/941913998.db2.gz RNAVAYJLUZUERS-JYEDNEFCSA-N 2 0 355.570 3.813 20 0 FHADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415782969 942049592 /nfs/dbraw/zinc/04/95/92/942049592.db2.gz FLWREAULMSQWKA-SFTDATJTSA-N 2 0 366.509 3.837 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N(CCC[NH3+])CC3CCCC3)ccc21 ZINC000415789887 942053746 /nfs/dbraw/zinc/05/37/46/942053746.db2.gz OUDLCUXMNLKPCH-HXUWFJFHSA-N 2 0 358.530 3.608 20 0 FHADRP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000513655722 942058224 /nfs/dbraw/zinc/05/82/24/942058224.db2.gz NYLFQFGOXHCEIC-NJDAHSKKSA-N 2 0 368.525 3.591 20 0 FHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893114144 942063250 /nfs/dbraw/zinc/06/32/50/942063250.db2.gz RXVMNHCBVYRMRB-YOAPVBDSSA-N 2 0 364.480 3.568 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1Br ZINC000513671578 942066605 /nfs/dbraw/zinc/06/66/05/942066605.db2.gz CZRPETLJGNKBRA-GRTSSRMGSA-N 2 0 355.320 3.981 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000513672650 942066819 /nfs/dbraw/zinc/06/68/19/942066819.db2.gz SSQLUHPIEWVKST-LJQANCHMSA-N 2 0 367.537 3.779 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000415902212 942120139 /nfs/dbraw/zinc/12/01/39/942120139.db2.gz CVLVZFSHGHLBRL-UHFFFAOYSA-N 2 0 358.530 3.524 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415905897 942134042 /nfs/dbraw/zinc/13/40/42/942134042.db2.gz JDBYDUSHAWTVHZ-DYESRHJHSA-N 2 0 366.509 3.581 20 0 FHADRP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCCC1CC[NH2+]CC1 ZINC000647881641 942135654 /nfs/dbraw/zinc/13/56/54/942135654.db2.gz YKMAOXUSPUFIKN-UHFFFAOYSA-N 2 0 358.505 3.860 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000415907667 942135870 /nfs/dbraw/zinc/13/58/70/942135870.db2.gz BSFCQJUQWRFMTE-QZTJIDSGSA-N 2 0 358.530 3.524 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000415917689 942143184 /nfs/dbraw/zinc/14/31/84/942143184.db2.gz JSBOZECTQHYROA-OAQYLSRUSA-N 2 0 366.509 3.673 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415924344 942150936 /nfs/dbraw/zinc/15/09/36/942150936.db2.gz WHYJCNPJWDTKOE-SJLPKXTDSA-N 2 0 358.530 3.571 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415924342 942151355 /nfs/dbraw/zinc/15/13/55/942151355.db2.gz WHYJCNPJWDTKOE-FUHWJXTLSA-N 2 0 358.530 3.571 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000415925402 942152963 /nfs/dbraw/zinc/15/29/63/942152963.db2.gz AORHTMFGJRHSDC-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000415933015 942158693 /nfs/dbraw/zinc/15/86/93/942158693.db2.gz PCFULFBGHRTTMU-YJBOKZPZSA-N 2 0 358.486 3.640 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000415927041 942163179 /nfs/dbraw/zinc/16/31/79/942163179.db2.gz VZOSJBSTBPVPSK-OAQYLSRUSA-N 2 0 368.525 3.684 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000415927846 942164764 /nfs/dbraw/zinc/16/47/64/942164764.db2.gz GFQKNASLXYIJLA-HXUWFJFHSA-N 2 0 354.498 3.611 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415928545 942164802 /nfs/dbraw/zinc/16/48/02/942164802.db2.gz FTRZMHFKFZDLGP-LAUBAEHRSA-N 2 0 368.525 3.917 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(C[NH2+]C)c2)cc1 ZINC000415936625 942168409 /nfs/dbraw/zinc/16/84/09/942168409.db2.gz WEALYVMLTWTPGG-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000415939051 942170161 /nfs/dbraw/zinc/17/01/61/942170161.db2.gz ZTPIPCMMQJDJOQ-NRFANRHFSA-N 2 0 368.525 3.684 20 0 FHADRP CO[C@@]1(C)CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000280392884 942174187 /nfs/dbraw/zinc/17/41/87/942174187.db2.gz XCRJFLUNOHMBPY-QFIPXVFZSA-N 2 0 359.558 3.608 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000415942738 942174587 /nfs/dbraw/zinc/17/45/87/942174587.db2.gz KBLXHCAHQLJIDG-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415962254 942201044 /nfs/dbraw/zinc/20/10/44/942201044.db2.gz SKAJGNSKKPTCQI-MRXNPFEDSA-N 2 0 372.435 3.502 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415964286 942202523 /nfs/dbraw/zinc/20/25/23/942202523.db2.gz ZNWHFRLIILKUOS-HXUWFJFHSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000415967298 942206675 /nfs/dbraw/zinc/20/66/75/942206675.db2.gz BCVSUMIZRCBLFF-UWJYYQICSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000415958873 942207234 /nfs/dbraw/zinc/20/72/34/942207234.db2.gz RTYLZIPNNNBIDC-HXUWFJFHSA-N 2 0 372.557 3.962 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000415974143 942210983 /nfs/dbraw/zinc/21/09/83/942210983.db2.gz PYJJPEOHLANJRW-OAQYLSRUSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000415967682 942213128 /nfs/dbraw/zinc/21/31/28/942213128.db2.gz BTHMIKKWZHUVKB-IEBWSBKVSA-N 2 0 358.530 3.524 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000415970481 942216365 /nfs/dbraw/zinc/21/63/65/942216365.db2.gz IFFXQOCSTVRLMU-NRFANRHFSA-N 2 0 366.509 3.673 20 0 FHADRP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415975700 942218797 /nfs/dbraw/zinc/21/87/97/942218797.db2.gz MUFWVGHEGVIPLM-LAUBAEHRSA-N 2 0 366.509 3.835 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000415985715 942235050 /nfs/dbraw/zinc/23/50/50/942235050.db2.gz TZBMBLLVCMBEEU-OAQYLSRUSA-N 2 0 368.525 3.684 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H](c2ccccc2)C1 ZINC000419678076 942347170 /nfs/dbraw/zinc/34/71/70/942347170.db2.gz PALQKHUGFBAHHE-GEPXCNEXSA-N 2 0 356.554 3.926 20 0 FHADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)c2)c1 ZINC000502323220 942353564 /nfs/dbraw/zinc/35/35/64/942353564.db2.gz VCONZJXOXLYPLL-LJQANCHMSA-N 2 0 361.493 3.785 20 0 FHADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378180242 942358646 /nfs/dbraw/zinc/35/86/46/942358646.db2.gz SJWUTKGEDMOJBC-CWRNSKLLSA-N 2 0 355.979 3.509 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183674 942369843 /nfs/dbraw/zinc/36/98/43/942369843.db2.gz JKJCOJMRSZMWMZ-XWPNQZOQSA-N 2 0 366.933 3.507 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC1CCCC1 ZINC000513712240 942413162 /nfs/dbraw/zinc/41/31/62/942413162.db2.gz AYZXVFOIAOIAGY-ZCNNSNEGSA-N 2 0 358.526 3.979 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712238 942413374 /nfs/dbraw/zinc/41/33/74/942413374.db2.gz AYZXVFOIAOIAGY-VAMGGRTRSA-N 2 0 358.526 3.979 20 0 FHADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501386137 942454244 /nfs/dbraw/zinc/45/42/44/942454244.db2.gz JTGVQYSVBGVGBT-WIYYLYMNSA-N 2 0 353.510 3.838 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000501400943 942460485 /nfs/dbraw/zinc/46/04/85/942460485.db2.gz RYRUXUCWJDSDIV-MOKGIYGOSA-N 2 0 369.475 3.582 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501419154 942466346 /nfs/dbraw/zinc/46/63/46/942466346.db2.gz GMEWDAVEGHJMDJ-PZJWPPBQSA-N 2 0 353.510 3.838 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501422695 942469435 /nfs/dbraw/zinc/46/94/35/942469435.db2.gz NVGSNUFTXMANOG-VZVUQDNOSA-N 2 0 369.475 3.724 20 0 FHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000414832222 942502725 /nfs/dbraw/zinc/50/27/25/942502725.db2.gz ODVADYSXRDYYKM-YVEFUNNKSA-N 2 0 351.263 3.809 20 0 FHADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000501479856 942503769 /nfs/dbraw/zinc/50/37/69/942503769.db2.gz NZHYVBZOSIMLBF-UHFFFAOYSA-N 2 0 368.521 3.504 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000421376490 942527131 /nfs/dbraw/zinc/52/71/31/942527131.db2.gz QNONDBOVXPSEDH-IYXRBSQSSA-N 2 0 355.320 3.981 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000468655425 942527907 /nfs/dbraw/zinc/52/79/07/942527907.db2.gz KVIFMNDEZOFVBH-KDURUIRLSA-N 2 0 357.542 3.552 20 0 FHADRP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818592 942536195 /nfs/dbraw/zinc/53/61/95/942536195.db2.gz GMKLPDDTEKVVJL-OAHLLOKOSA-N 2 0 354.897 3.974 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000513825098 942555150 /nfs/dbraw/zinc/55/51/50/942555150.db2.gz VZRZWQAUJSAMAO-GCJKJVERSA-N 2 0 367.537 3.950 20 0 FHADRP Cc1cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000416254445 942558774 /nfs/dbraw/zinc/55/87/74/942558774.db2.gz VHDFOMJYBNQESV-HXUWFJFHSA-N 2 0 369.509 3.567 20 0 FHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893206520 942595304 /nfs/dbraw/zinc/59/53/04/942595304.db2.gz FUOKXPSHCNZBQW-NTJFWFSHSA-N 2 0 358.526 3.527 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(OC3CCC(C)CC3)CC2)cc1 ZINC000420298505 942609081 /nfs/dbraw/zinc/60/90/81/942609081.db2.gz HJXQSVQNVYLBRW-BIXGBWIQSA-N 2 0 360.542 3.797 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000420301006 942610887 /nfs/dbraw/zinc/61/08/87/942610887.db2.gz IHPFAQNYCHGSDM-UWJYYQICSA-N 2 0 370.493 3.592 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000420315687 942618242 /nfs/dbraw/zinc/61/82/42/942618242.db2.gz XFAUQHWIVKJJSI-GOEBONIOSA-N 2 0 351.450 3.673 20 0 FHADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420341004 942624992 /nfs/dbraw/zinc/62/49/92/942624992.db2.gz PPIGJJBEOWQBGT-RZUBCFFCSA-N 2 0 363.505 3.606 20 0 FHADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420343762 942626101 /nfs/dbraw/zinc/62/61/01/942626101.db2.gz RNVWCIQLFXSOHR-OAQYLSRUSA-N 2 0 363.505 3.750 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343720 942626237 /nfs/dbraw/zinc/62/62/37/942626237.db2.gz ZZSAEUDSWYVRKC-KRWDZBQOSA-N 2 0 358.507 3.652 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328222 942630610 /nfs/dbraw/zinc/63/06/10/942630610.db2.gz ZQGHMLSORAMYLT-UGKGYDQZSA-N 2 0 353.510 3.641 20 0 FHADRP CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420358491 942636706 /nfs/dbraw/zinc/63/67/06/942636706.db2.gz JEISYTYQSGYPTC-INIZCTEOSA-N 2 0 369.475 3.601 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378289 942646396 /nfs/dbraw/zinc/64/63/96/942646396.db2.gz LZCCMUIPEYCLMB-FSPWUOQZSA-N 2 0 367.331 3.728 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383840 942648094 /nfs/dbraw/zinc/64/80/94/942648094.db2.gz FVBUGJLYTVZCGE-AYOQOUSVSA-N 2 0 355.482 3.621 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3cc(Cl)ccc3Cl)CC2)C1 ZINC000420386679 942649805 /nfs/dbraw/zinc/64/98/05/942649805.db2.gz JFOJPLKFDOGPOC-WBVHZDCISA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420388590 942650386 /nfs/dbraw/zinc/65/03/86/942650386.db2.gz XDDQLAUUYJTTIL-BVGQSLNGSA-N 2 0 356.432 3.985 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000420390213 942651848 /nfs/dbraw/zinc/65/18/48/942651848.db2.gz ZAPLONWNKALALN-PKTZIBPZSA-N 2 0 368.521 3.827 20 0 FHADRP CC(C)(C)c1ccc(OCCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420391113 942652016 /nfs/dbraw/zinc/65/20/16/942652016.db2.gz OBQQHSHLUIMSGW-IFMALSPDSA-N 2 0 374.569 3.971 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420392066 942652787 /nfs/dbraw/zinc/65/27/87/942652787.db2.gz PGJDKOQWBXPASK-SKDZVZGDSA-N 2 0 372.431 3.865 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCOc3cccc4ccccc43)CC2)C1 ZINC000420392372 942652857 /nfs/dbraw/zinc/65/28/57/942652857.db2.gz PLGAMTINZPNYBM-NZQKXSOJSA-N 2 0 368.521 3.827 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000420391035 942652976 /nfs/dbraw/zinc/65/29/76/942652976.db2.gz NSJGPIAMLNXTHC-CTNGQTDRSA-N 2 0 358.526 3.533 20 0 FHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000502694697 942661811 /nfs/dbraw/zinc/66/18/11/942661811.db2.gz AUHIXHPZXYBRPN-UBBRYJJRSA-N 2 0 360.542 3.591 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901937 942664275 /nfs/dbraw/zinc/66/42/75/942664275.db2.gz XQSGQFNUNRJVHP-ICSRJNTNSA-N 2 0 351.494 3.632 20 0 FHADRP C[NH+](C)CCCC1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000501774932 942666750 /nfs/dbraw/zinc/66/67/50/942666750.db2.gz LQDUAEJWLBFDTC-JOCHJYFZSA-N 2 0 371.569 3.794 20 0 FHADRP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C2CC2)cc1 ZINC000501780275 942669925 /nfs/dbraw/zinc/66/99/25/942669925.db2.gz YUBNYVOVSBLFOH-QHCPKHFHSA-N 2 0 371.569 3.616 20 0 FHADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)nn1C ZINC000502725466 942696183 /nfs/dbraw/zinc/69/61/83/942696183.db2.gz UVTYWFKWDOGKQD-MRXNPFEDSA-N 2 0 360.933 3.945 20 0 FHADRP CC[N@H+](CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C(C)C ZINC000502761036 942722518 /nfs/dbraw/zinc/72/25/18/942722518.db2.gz FTPZFAATCLWMHT-LJQANCHMSA-N 2 0 374.573 3.680 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000514094548 942744415 /nfs/dbraw/zinc/74/44/15/942744415.db2.gz KRRHJTRTRGQRRZ-FPOVZHCZSA-N 2 0 352.563 3.896 20 0 FHADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502795005 942748550 /nfs/dbraw/zinc/74/85/50/942748550.db2.gz JNKMWXBOEMRKOT-RBUKOAKNSA-N 2 0 374.573 3.680 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000502840637 942773921 /nfs/dbraw/zinc/77/39/21/942773921.db2.gz DBJORIZESOMBRO-UHFFFAOYSA-N 2 0 359.558 3.913 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000502844272 942791876 /nfs/dbraw/zinc/79/18/76/942791876.db2.gz WWOXPAUFIDHIQO-SFHVURJKSA-N 2 0 374.573 3.680 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](CO)c2ccccc2)ccc1OC ZINC000182977152 942811514 /nfs/dbraw/zinc/81/15/14/942811514.db2.gz AACCUQIDYHTGKP-LAUBAEHRSA-N 2 0 356.510 3.921 20 0 FHADRP C[C@@H](CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000183226536 942844977 /nfs/dbraw/zinc/84/49/77/942844977.db2.gz YEPQEECPZLKEDY-AOCRQIFASA-N 2 0 353.551 3.676 20 0 FHADRP OC1(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421848229 942858561 /nfs/dbraw/zinc/85/85/61/942858561.db2.gz AEPQQUKEXMVYHA-FDFHNCONSA-N 2 0 356.554 3.962 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1I ZINC000421878747 942862492 /nfs/dbraw/zinc/86/24/92/942862492.db2.gz NXTCQAFKKWQQRJ-HSBZDZAISA-N 2 0 372.294 3.815 20 0 FHADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115956 942929656 /nfs/dbraw/zinc/92/96/56/942929656.db2.gz HDKLWEYTKJVOAH-URVUXULASA-N 2 0 357.586 3.807 20 0 FHADRP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC000503037485 942932439 /nfs/dbraw/zinc/93/24/39/942932439.db2.gz HBMITRZHUBXEDC-OALUTQOASA-N 2 0 374.573 3.537 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000503122651 942989319 /nfs/dbraw/zinc/98/93/19/942989319.db2.gz ZXBVIWDXDITVEC-RBUKOAKNSA-N 2 0 374.573 3.680 20 0 FHADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000271789677 943050668 /nfs/dbraw/zinc/05/06/68/943050668.db2.gz GHVHPEPGXYOYPJ-UHFFFAOYSA-N 2 0 357.885 3.666 20 0 FHADRP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505573436 943057785 /nfs/dbraw/zinc/05/77/85/943057785.db2.gz BTGHUHRLRLJTBV-VGSWGCGISA-N 2 0 374.488 3.668 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414859219 943061189 /nfs/dbraw/zinc/06/11/89/943061189.db2.gz SZHZQKGCRSNFRU-PWSUYJOCSA-N 2 0 363.246 3.528 20 0 FHADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414863726 943098960 /nfs/dbraw/zinc/09/89/60/943098960.db2.gz YBGATDSMYKVKGH-NVXWUHKLSA-N 2 0 360.523 3.813 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000272282202 943128475 /nfs/dbraw/zinc/12/84/75/943128475.db2.gz AETDEWCUPIGNND-JOCHJYFZSA-N 2 0 359.533 3.769 20 0 FHADRP Cc1ccn(C2CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000435061822 943135362 /nfs/dbraw/zinc/13/53/62/943135362.db2.gz UNTVXYXDTRHRRB-UHFFFAOYSA-N 2 0 354.542 3.987 20 0 FHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414660070 943136227 /nfs/dbraw/zinc/13/62/27/943136227.db2.gz MDOWUUNCPHEBFM-NRFANRHFSA-N 2 0 363.509 3.740 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000416830753 943160051 /nfs/dbraw/zinc/16/00/51/943160051.db2.gz ALDYNNBXFURQQR-UTKZUKDTSA-N 2 0 368.525 3.589 20 0 FHADRP c1ccc(-c2noc([C@H](c3ccccc3)[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000514673380 943205376 /nfs/dbraw/zinc/20/53/76/943205376.db2.gz JHAFCWKSFCEUHF-HBMCJLEFSA-N 2 0 374.488 3.757 20 0 FHADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422701782 943238698 /nfs/dbraw/zinc/23/86/98/943238698.db2.gz CMRRMHRPIDIFCP-KNQAVFIVSA-N 2 0 354.469 3.949 20 0 FHADRP CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422708403 943242167 /nfs/dbraw/zinc/24/21/67/943242167.db2.gz BYTSYGQFOZAWOI-UGKGYDQZSA-N 2 0 352.478 3.819 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(SCC)cc2)CC[NH2+]CC1 ZINC000422711829 943243716 /nfs/dbraw/zinc/24/37/16/943243716.db2.gz HLGZTZRLBAUEGQ-JKSUJKDBSA-N 2 0 364.555 3.771 20 0 FHADRP CCOc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC(F)F ZINC000422688905 943244701 /nfs/dbraw/zinc/24/47/01/943244701.db2.gz DOECXFVJNHPEGM-LBPRGKRZSA-N 2 0 365.424 3.700 20 0 FHADRP COc1ccc([C@@H](NCCCCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422712969 943244823 /nfs/dbraw/zinc/24/48/23/943244823.db2.gz JEQPJDOLSCIUTP-FCHUYYIVSA-N 2 0 359.558 3.734 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1C ZINC000272955439 943250580 /nfs/dbraw/zinc/25/05/80/943250580.db2.gz QVVQGTFLMJEFKQ-SFHVURJKSA-N 2 0 368.521 3.811 20 0 FHADRP CC[N@H+](C)Cc1cccc(CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)c1 ZINC000422733583 943250700 /nfs/dbraw/zinc/25/07/00/943250700.db2.gz BKBGFEXXSCSDDR-DHIUTWEWSA-N 2 0 367.537 3.730 20 0 FHADRP COc1ccc([C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422720618 943258231 /nfs/dbraw/zinc/25/82/31/943258231.db2.gz ZUGWEISKDIAOEO-FSSWDIPSSA-N 2 0 371.500 3.520 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000273041461 943264241 /nfs/dbraw/zinc/26/42/41/943264241.db2.gz IQUMERBJFOJWNT-RBUKOAKNSA-N 2 0 359.558 3.512 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000422738124 943265091 /nfs/dbraw/zinc/26/50/91/943265091.db2.gz JFFLWXZDILUNDF-UHFFFAOYSA-N 2 0 351.494 3.647 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000422738942 943265772 /nfs/dbraw/zinc/26/57/72/943265772.db2.gz KNFSUZFQVYTWSP-LRDDRELGSA-N 2 0 351.491 3.662 20 0 FHADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000503569312 943266443 /nfs/dbraw/zinc/26/64/43/943266443.db2.gz QBHVJUDVMAZBMH-LMVRJCEZSA-N 2 0 360.542 3.591 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416982945 943267552 /nfs/dbraw/zinc/26/75/52/943267552.db2.gz WPFDQINWMFAVAV-RXVVDRJESA-N 2 0 374.573 3.576 20 0 FHADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000503577238 943272292 /nfs/dbraw/zinc/27/22/92/943272292.db2.gz KWVBIFXNBYCZHE-LJQANCHMSA-N 2 0 353.510 3.607 20 0 FHADRP CC[C@@H]1C[C@@H](C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000503576983 943273125 /nfs/dbraw/zinc/27/31/25/943273125.db2.gz SYOPSABAZKMSPS-JTHBVZDNSA-N 2 0 373.585 3.692 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754885 943274175 /nfs/dbraw/zinc/27/41/75/943274175.db2.gz GGTODWGUWMMZIE-QWHCGFSZSA-N 2 0 373.324 3.965 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000422769603 943277030 /nfs/dbraw/zinc/27/70/30/943277030.db2.gz VRQRTRKSRHRLAE-OLZOCXBDSA-N 2 0 367.415 3.986 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[NH2+]CC1 ZINC000422773334 943277832 /nfs/dbraw/zinc/27/78/32/943277832.db2.gz YJIDKUFHMCEDST-KBXCAEBGSA-N 2 0 364.917 3.702 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422777976 943278903 /nfs/dbraw/zinc/27/89/03/943278903.db2.gz DEUPHFFPHDFKOD-OXJNMPFZSA-N 2 0 351.519 3.901 20 0 FHADRP C[C@H](OCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422776370 943279195 /nfs/dbraw/zinc/27/91/95/943279195.db2.gz AJRCDSGJCNKALJ-QTGUNEKASA-N 2 0 366.505 4.000 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1COc1ccccc1Cl ZINC000422775705 943279254 /nfs/dbraw/zinc/27/92/54/943279254.db2.gz BIJITLSDLSZPDZ-CVAIRZPRSA-N 2 0 374.912 3.761 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781540 943280946 /nfs/dbraw/zinc/28/09/46/943280946.db2.gz FFVIDRUALBUZHC-XOBRGWDASA-N 2 0 360.885 3.918 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785278 943282360 /nfs/dbraw/zinc/28/23/60/943282360.db2.gz NFWPBGCFPAEMGS-OAHLLOKOSA-N 2 0 372.944 3.817 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)COCc1ccccc1 ZINC000422765750 943285748 /nfs/dbraw/zinc/28/57/48/943285748.db2.gz REBKOAAGTAWJJU-RZFNWQHOSA-N 2 0 366.505 3.685 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799555 943287721 /nfs/dbraw/zinc/28/77/21/943287721.db2.gz XFVMQOXONMSJFK-NKGKWGDASA-N 2 0 367.331 3.727 20 0 FHADRP C[C@@]1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCCS1 ZINC000628295840 943291087 /nfs/dbraw/zinc/29/10/87/943291087.db2.gz MLNUHIQPOGTJLA-SFTDATJTSA-N 2 0 374.594 3.791 20 0 FHADRP CC(C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417010737 943295829 /nfs/dbraw/zinc/29/58/29/943295829.db2.gz QDVLSWFORPRAKL-RTWAWAEBSA-N 2 0 374.573 3.522 20 0 FHADRP Cc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422822305 943296397 /nfs/dbraw/zinc/29/63/97/943296397.db2.gz AODMPWHEOFKLFN-VJBMBRPKSA-N 2 0 351.538 3.680 20 0 FHADRP CC1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000422834925 943299591 /nfs/dbraw/zinc/29/95/91/943299591.db2.gz HZFITDACYFJSOA-UHFFFAOYSA-N 2 0 363.505 3.573 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850933 943305530 /nfs/dbraw/zinc/30/55/30/943305530.db2.gz WIPKCGCMAWYPKC-XLIONFOSSA-N 2 0 355.457 3.685 20 0 FHADRP CC(C)[C@@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCC(C)CC1 ZINC000422851542 943306569 /nfs/dbraw/zinc/30/65/69/943306569.db2.gz XCASCPVLQPSVHN-MQSCRBSSSA-N 2 0 371.569 3.588 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854212 943306688 /nfs/dbraw/zinc/30/66/88/943306688.db2.gz ZWBXPALGGWNVDZ-RJGXRXQPSA-N 2 0 355.570 3.594 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422857058 943306997 /nfs/dbraw/zinc/30/69/97/943306997.db2.gz GODXGLSZFBDWMM-GOEBONIOSA-N 2 0 351.922 3.877 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000422859712 943308633 /nfs/dbraw/zinc/30/86/33/943308633.db2.gz KELMWFWNNLLXNR-YTFSRNRJSA-N 2 0 366.553 3.932 20 0 FHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877242 943313681 /nfs/dbraw/zinc/31/36/81/943313681.db2.gz HMEDQUYWKIPEHG-DYVFJYSZSA-N 2 0 357.325 3.759 20 0 FHADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@H]2CCCO2)c1 ZINC000422878158 943314179 /nfs/dbraw/zinc/31/41/79/943314179.db2.gz SODSIERQXDPIOQ-OXJNMPFZSA-N 2 0 369.509 3.566 20 0 FHADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000422879686 943315255 /nfs/dbraw/zinc/31/52/55/943315255.db2.gz WAOKQEAQUXHKDG-HCLVMJGWSA-N 2 0 363.505 3.947 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422881050 943315513 /nfs/dbraw/zinc/31/55/13/943315513.db2.gz NERRRNUDTJIROA-GFCCVEGCSA-N 2 0 353.388 3.641 20 0 FHADRP COc1ccc([C@@H](NCCCC[NH+]2CCC(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422882058 943315775 /nfs/dbraw/zinc/31/57/75/943315775.db2.gz OWKVRMRVKGYBKJ-FCHUYYIVSA-N 2 0 359.558 3.590 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000422882628 943316612 /nfs/dbraw/zinc/31/66/12/943316612.db2.gz SSIJGJQMNZMTJY-KNQAVFIVSA-N 2 0 352.522 3.591 20 0 FHADRP c1ccc(-c2cccc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422886451 943317623 /nfs/dbraw/zinc/31/76/23/943317623.db2.gz JBLBRLONQFJVSD-DNVJHFABSA-N 2 0 350.506 3.643 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCCC[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422886553 943318100 /nfs/dbraw/zinc/31/81/00/943318100.db2.gz WXLOJGWCKPLPSE-QIJUGHKUSA-N 2 0 359.558 3.733 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422890158 943319406 /nfs/dbraw/zinc/31/94/06/943319406.db2.gz RKHJDFYCLOXZAE-TZIWHRDSSA-N 2 0 372.896 3.737 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873488 943322573 /nfs/dbraw/zinc/32/25/73/943322573.db2.gz AOUGGPHQKLMXTE-XZYOPWHXSA-N 3 0 371.569 3.590 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873487 943322848 /nfs/dbraw/zinc/32/28/48/943322848.db2.gz AOUGGPHQKLMXTE-QRICJDHISA-N 3 0 371.569 3.590 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422875024 943323216 /nfs/dbraw/zinc/32/32/16/943323216.db2.gz BHSPOEBOKSTSQH-IXDOHACOSA-N 2 0 368.468 3.740 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCOCC1 ZINC000422901970 943325441 /nfs/dbraw/zinc/32/54/41/943325441.db2.gz MALPBOKBHHPIGL-QZTJIDSGSA-N 2 0 366.933 3.646 20 0 FHADRP CC(C)c1nc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422904780 943325785 /nfs/dbraw/zinc/32/57/85/943325785.db2.gz QPSOZNKMEOYTQO-FXAWDEMLSA-N 2 0 357.523 3.655 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422902989 943325854 /nfs/dbraw/zinc/32/58/54/943325854.db2.gz VMEAESPHIOPRGF-VQTJNVASSA-N 2 0 374.569 3.952 20 0 FHADRP c1ccc(OC2CCC2)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422910969 943328189 /nfs/dbraw/zinc/32/81/89/943328189.db2.gz JRHIHUHOCCCNGC-NZQKXSOJSA-N 2 0 364.489 3.963 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911199 943328292 /nfs/dbraw/zinc/32/82/92/943328292.db2.gz KHCBYRLWSMJXFO-HUUCEWRRSA-N 2 0 350.457 3.874 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425340738 943328725 /nfs/dbraw/zinc/32/87/25/943328725.db2.gz FHGKWUGTDMAQOK-POZUXBRTSA-N 2 0 351.535 3.512 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cnccc1N ZINC000422910520 943328976 /nfs/dbraw/zinc/32/89/76/943328976.db2.gz QWQGDOMPJYHUPO-LJQANCHMSA-N 2 0 366.553 3.880 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422894268 943330968 /nfs/dbraw/zinc/33/09/68/943330968.db2.gz BWSXUKMMOKLJAR-SESVDKBCSA-N 2 0 372.553 3.562 20 0 FHADRP COc1ccc(C2(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CCOCC2)cc1 ZINC000422895766 943332147 /nfs/dbraw/zinc/33/21/47/943332147.db2.gz GNTRVPPPDXWOFS-QUCCMNQESA-N 2 0 360.542 3.644 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422924364 943332432 /nfs/dbraw/zinc/33/24/32/943332432.db2.gz ASRKPEVSKVJLOC-WIYYLYMNSA-N 2 0 357.542 3.713 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922755 943332933 /nfs/dbraw/zinc/33/29/33/943332933.db2.gz UGUOLKZMIRAIDE-HMXCVIKNSA-N 2 0 372.896 3.873 20 0 FHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422931086 943335805 /nfs/dbraw/zinc/33/58/05/943335805.db2.gz WXMNRYXGQZXPCJ-YTFSRNRJSA-N 2 0 350.506 3.909 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccc(Cl)cc3)CCC2)CC[NH2+]CC1 ZINC000422936085 943337220 /nfs/dbraw/zinc/33/72/20/943337220.db2.gz HYRPJMHPGQDTFA-HNNXBMFYSA-N 2 0 364.917 3.630 20 0 FHADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CCC[C@H]4[C@@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000422935807 943337427 /nfs/dbraw/zinc/33/74/27/943337427.db2.gz DTXJSROVFIIPBY-OKZBNKHCSA-N 2 0 370.566 3.775 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000422939274 943338537 /nfs/dbraw/zinc/33/85/37/943338537.db2.gz LSWPLTVAHKRNBF-DENIHFKCSA-N 2 0 371.569 3.511 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414705555 943339798 /nfs/dbraw/zinc/33/97/98/943339798.db2.gz FLRKXWROBXMZID-DLBZAZTESA-N 2 0 358.530 3.652 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414705557 943340256 /nfs/dbraw/zinc/34/02/56/943340256.db2.gz FLRKXWROBXMZID-IAGOWNOFSA-N 2 0 358.530 3.652 20 0 FHADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154117 943341452 /nfs/dbraw/zinc/34/14/52/943341452.db2.gz IZCOHVOFJXGVKP-OHUMZHCVSA-N 2 0 355.570 3.528 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422962523 943342210 /nfs/dbraw/zinc/34/22/10/943342210.db2.gz CPQLBBOYFILFAX-MBSDFSHPSA-N 3 0 351.538 3.893 20 0 FHADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422950920 943346820 /nfs/dbraw/zinc/34/68/20/943346820.db2.gz XBIHFIURYAGCLQ-HUUCEWRRSA-N 2 0 354.498 3.684 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422960155 943350745 /nfs/dbraw/zinc/35/07/45/943350745.db2.gz VLIYLOIAIADGHF-YOEHRIQHSA-N 2 0 362.905 3.833 20 0 FHADRP Fc1ccc(CC2(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422989476 943352241 /nfs/dbraw/zinc/35/22/41/943352241.db2.gz LWYYOLLMGGRYQH-NZQKXSOJSA-N 2 0 366.480 3.994 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000422991763 943352876 /nfs/dbraw/zinc/35/28/76/943352876.db2.gz BOPJIHDJISSUQB-KRWDZBQOSA-N 2 0 369.347 3.604 20 0 FHADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000435375171 943357123 /nfs/dbraw/zinc/35/71/23/943357123.db2.gz SSFUDQNHTXENQP-UHFFFAOYSA-N 2 0 358.457 3.584 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCOC2)cc1 ZINC000422986185 943359183 /nfs/dbraw/zinc/35/91/83/943359183.db2.gz GQCPXOAYNXIRKU-VOFXCDAESA-N 2 0 364.489 3.610 20 0 FHADRP Clc1ccc(COCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422996892 943359586 /nfs/dbraw/zinc/35/95/86/943359586.db2.gz AEGOXOPZPMSMRR-TZIWHRDSSA-N 2 0 372.896 3.702 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435370816 943364266 /nfs/dbraw/zinc/36/42/66/943364266.db2.gz KFCFRZXENVNFSX-GOEBONIOSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435370528 943365047 /nfs/dbraw/zinc/36/50/47/943365047.db2.gz JCRIQGUXNBCQGI-GOEBONIOSA-N 2 0 357.885 3.761 20 0 FHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019700 943366711 /nfs/dbraw/zinc/36/67/11/943366711.db2.gz WUYKQGFAJXNLKA-FYXRHKGBSA-N 2 0 370.468 3.747 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423022940 943369776 /nfs/dbraw/zinc/36/97/76/943369776.db2.gz IRVJFHRTCKLDNS-SNVBAGLBSA-N 2 0 369.225 3.564 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036309 943373456 /nfs/dbraw/zinc/37/34/56/943373456.db2.gz TWDIMPGRMSCUJO-KBXCAEBGSA-N 2 0 356.341 3.675 20 0 FHADRP Clc1cc2c(c(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c1)OCC2 ZINC000423040000 943374431 /nfs/dbraw/zinc/37/44/31/943374431.db2.gz SBZRFQLURKGVJS-RXVVDRJESA-N 2 0 370.880 3.620 20 0 FHADRP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000435387360 943374519 /nfs/dbraw/zinc/37/45/19/943374519.db2.gz ZWIVIXUBVPNAKJ-QUCCMNQESA-N 2 0 353.510 3.837 20 0 FHADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423057029 943377044 /nfs/dbraw/zinc/37/70/44/943377044.db2.gz GNZQWSQTZBEGHV-REWPJTCUSA-N 2 0 365.521 3.877 20 0 FHADRP COCCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423058235 943377749 /nfs/dbraw/zinc/37/77/49/943377749.db2.gz BUNCLOYVQJKOMH-KNQAVFIVSA-N 2 0 358.526 3.819 20 0 FHADRP CSCc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060647 943378228 /nfs/dbraw/zinc/37/82/28/943378228.db2.gz OUUDENHBUPMXFG-CTNGQTDRSA-N 2 0 354.519 3.895 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062579 943378964 /nfs/dbraw/zinc/37/89/64/943378964.db2.gz NFGYHJVFLSMUAJ-LSTHTHJFSA-N 2 0 364.480 3.523 20 0 FHADRP CC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435392717 943379014 /nfs/dbraw/zinc/37/90/14/943379014.db2.gz HPCKOMUTBMAHSF-IBGZPJMESA-N 2 0 359.539 3.995 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC([C@H](C)[NH3+])CC3)c2)cc1 ZINC000435394126 943380809 /nfs/dbraw/zinc/38/08/09/943380809.db2.gz MDOWDBQRAFPXFU-INIZCTEOSA-N 2 0 367.493 3.507 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423070342 943381479 /nfs/dbraw/zinc/38/14/79/943381479.db2.gz GADXYQKUQCICMX-ZQIUZPCESA-N 2 0 354.897 3.633 20 0 FHADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423073406 943382419 /nfs/dbraw/zinc/38/24/19/943382419.db2.gz RKNCGGHAEBLTDT-NZSAHSFTSA-N 2 0 366.933 3.766 20 0 FHADRP O[C@@H]1CCC[C@]1(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000423072674 943382710 /nfs/dbraw/zinc/38/27/10/943382710.db2.gz HMJPJBZVUGNGHB-LHGONGGSSA-N 2 0 374.544 3.800 20 0 FHADRP FC(F)Oc1ccccc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423073943 943382716 /nfs/dbraw/zinc/38/27/16/943382716.db2.gz SYLNHIPRKQDRCH-LAUBAEHRSA-N 2 0 374.431 3.676 20 0 FHADRP Brc1cccc(C[C@@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000423054207 943384845 /nfs/dbraw/zinc/38/48/45/943384845.db2.gz UBXQYZZVYLZUKM-QZTJIDSGSA-N 2 0 351.332 3.892 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077874 943385932 /nfs/dbraw/zinc/38/59/32/943385932.db2.gz NCSVPWSLOCLITE-ATZDWAIDSA-N 2 0 364.480 3.523 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423081236 943386720 /nfs/dbraw/zinc/38/67/20/943386720.db2.gz USJSZEJTLLDGLZ-IHPCNDPISA-N 2 0 358.526 3.624 20 0 FHADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080675 943386786 /nfs/dbraw/zinc/38/67/86/943386786.db2.gz ZUWCCMOQZDDYQK-FNAHDJPLSA-N 2 0 373.610 3.504 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092408 943391262 /nfs/dbraw/zinc/39/12/62/943391262.db2.gz BUEVGPCZMNQKFI-ZDUSSCGKSA-N 2 0 367.415 3.683 20 0 FHADRP FC(F)(F)c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423094557 943391805 /nfs/dbraw/zinc/39/18/05/943391805.db2.gz KJXQOSBQHYJSGL-WSIUPNEHSA-N 2 0 368.443 3.698 20 0 FHADRP FC(F)(F)c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423094558 943391941 /nfs/dbraw/zinc/39/19/41/943391941.db2.gz KJXQOSBQHYJSGL-XFUTXVRSSA-N 2 0 368.443 3.698 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423096528 943392539 /nfs/dbraw/zinc/39/25/39/943392539.db2.gz PDTXJFDCBDJDNA-KJXAQDMKSA-N 2 0 369.553 3.629 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100958 943394751 /nfs/dbraw/zinc/39/47/51/943394751.db2.gz NDDPLCFLDLSDGQ-UNTXSKPGSA-N 2 0 369.336 3.986 20 0 FHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423101926 943395303 /nfs/dbraw/zinc/39/53/03/943395303.db2.gz WNSDEFHFORNNKV-VPZAWKCMSA-N 2 0 352.453 3.917 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423115165 943395978 /nfs/dbraw/zinc/39/59/78/943395978.db2.gz XLPFPTAMGZBVOW-VNTMZGSJSA-N 2 0 350.934 3.826 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000423122935 943397534 /nfs/dbraw/zinc/39/75/34/943397534.db2.gz KHESCGUJYXNGEA-FSSWDIPSSA-N 2 0 353.510 3.811 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000423106229 943401785 /nfs/dbraw/zinc/40/17/85/943401785.db2.gz RDTAOJDVHSZTLP-LPHOPBHVSA-N 2 0 365.949 3.577 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000423106231 943402132 /nfs/dbraw/zinc/40/21/32/943402132.db2.gz RDTAOJDVHSZTLP-VQIMIIECSA-N 2 0 365.949 3.577 20 0 FHADRP CCn1ccnc1C[N@H+](CCCc1cccc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000503919077 943408743 /nfs/dbraw/zinc/40/87/43/943408743.db2.gz ZEYNJTKQKDZGQA-HXUWFJFHSA-N 2 0 370.516 3.619 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423156290 943412374 /nfs/dbraw/zinc/41/23/74/943412374.db2.gz KZBTZWAMYWPWSE-NSHDSACASA-N 2 0 354.281 3.885 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423137376 943414944 /nfs/dbraw/zinc/41/49/44/943414944.db2.gz WJBRBTVXLKSFOH-GXTWGEPZSA-N 2 0 370.946 3.690 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423138507 943415678 /nfs/dbraw/zinc/41/56/78/943415678.db2.gz TUDJUQNWSRQAIO-OTWHNJEPSA-N 2 0 360.571 3.564 20 0 FHADRP Cc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435437407 943415800 /nfs/dbraw/zinc/41/58/00/943415800.db2.gz KKVSYZLDTQSMBY-OAQYLSRUSA-N 2 0 353.510 3.851 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139869 943417077 /nfs/dbraw/zinc/41/70/77/943417077.db2.gz WSPRPUNDGJIXMD-KGLIPLIRSA-N 2 0 353.445 3.585 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000503913019 943417662 /nfs/dbraw/zinc/41/76/62/943417662.db2.gz UPZHCQTXRLCMQK-BMGDILEWSA-N 2 0 356.457 3.828 20 0 FHADRP CCn1ccnc1CN(Cc1cc(C)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435440497 943417874 /nfs/dbraw/zinc/41/78/74/943417874.db2.gz XCPHJUQXUJSFQC-FQEVSTJZSA-N 2 0 352.526 3.664 20 0 FHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143288 943418568 /nfs/dbraw/zinc/41/85/68/943418568.db2.gz WWLSGAMHMSSSEL-XMSQKQJNSA-N 2 0 351.494 3.513 20 0 FHADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423163133 943421786 /nfs/dbraw/zinc/42/17/86/943421786.db2.gz QUOXSRYUIVQQDC-ZVEOBBNSSA-N 2 0 364.489 3.787 20 0 FHADRP Cc1ccc(Oc2ccccc2CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000423173425 943425828 /nfs/dbraw/zinc/42/58/28/943425828.db2.gz YNYVIKXFPDIMHA-IOMROCGXSA-N 2 0 354.494 3.672 20 0 FHADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C2CC[NH2+]CC2)nc1 ZINC000423177947 943428397 /nfs/dbraw/zinc/42/83/97/943428397.db2.gz FGKMUYLHGSRSCP-OAQYLSRUSA-N 2 0 357.929 3.793 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417223547 943439155 /nfs/dbraw/zinc/43/91/55/943439155.db2.gz SKORZMCRTHLDDW-GGPKGHCWSA-N 2 0 374.573 3.522 20 0 FHADRP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000515005845 943446301 /nfs/dbraw/zinc/44/63/01/943446301.db2.gz KXFJFDDILLDBOP-SUMWQHHRSA-N 2 0 360.889 3.915 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220052 943448237 /nfs/dbraw/zinc/44/82/37/943448237.db2.gz XVEHUGCOCDDUDY-PXAZEXFGSA-N 2 0 362.315 3.897 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232023 943453728 /nfs/dbraw/zinc/45/37/28/943453728.db2.gz BSZBKHIVCIVXFR-FUPPJEDESA-N 2 0 365.521 3.655 20 0 FHADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423243566 943457200 /nfs/dbraw/zinc/45/72/00/943457200.db2.gz GOJPXLYVJUQTSP-SUMWQHHRSA-N 2 0 355.320 3.744 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000423291905 943466121 /nfs/dbraw/zinc/46/61/21/943466121.db2.gz KLQXFOQFYKAIBX-SJORKVTESA-N 2 0 364.493 3.870 20 0 FHADRP Cc1ccc([C@@H](Cc2ccccc2Br)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423308697 943471394 /nfs/dbraw/zinc/47/13/94/943471394.db2.gz YDVUNGDPTNGBEP-LJQANCHMSA-N 2 0 359.311 3.850 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423356794 943489109 /nfs/dbraw/zinc/48/91/09/943489109.db2.gz KQFPBVMHXYDTAO-SFHVURJKSA-N 2 0 353.510 3.691 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000423363312 943492460 /nfs/dbraw/zinc/49/24/60/943492460.db2.gz BTEDBRAKDMQUOT-XGRCMKMKSA-N 2 0 354.494 3.575 20 0 FHADRP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000423384080 943497849 /nfs/dbraw/zinc/49/78/49/943497849.db2.gz PWJPSNJNORVFJL-FSPWUOQZSA-N 2 0 367.331 3.647 20 0 FHADRP COCC1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]CC1 ZINC000423395643 943500477 /nfs/dbraw/zinc/50/04/77/943500477.db2.gz ALWUYRZSDLPRJO-FUHWJXTLSA-N 2 0 370.459 3.947 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394959 943500666 /nfs/dbraw/zinc/50/06/66/943500666.db2.gz NASGKMPQCBLTOX-BVGQSLNGSA-N 2 0 367.331 3.504 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC[NH2+]CC1 ZINC000423399072 943503157 /nfs/dbraw/zinc/50/31/57/943503157.db2.gz DSLPZLVKKPOQGB-LBPRGKRZSA-N 2 0 362.848 3.608 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318411 943504181 /nfs/dbraw/zinc/50/41/81/943504181.db2.gz YVWXFXRHZWHZIC-JOZSIVFUSA-N 2 0 370.562 3.713 20 0 FHADRP Clc1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCO1 ZINC000423402189 943507675 /nfs/dbraw/zinc/50/76/75/943507675.db2.gz WMPMEGNZFTVQCR-SFTDATJTSA-N 2 0 356.897 3.823 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2ccc(OCc3ccccc3)cc2)CC[NH2+]CC1 ZINC000423404353 943508049 /nfs/dbraw/zinc/50/80/49/943508049.db2.gz YEGDVCJYDLBSBP-IBGZPJMESA-N 2 0 368.521 3.932 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423407822 943508729 /nfs/dbraw/zinc/50/87/29/943508729.db2.gz NIYMPQCGLZAMPB-IEBWSBKVSA-N 2 0 350.934 3.972 20 0 FHADRP COCC1(C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000423408801 943509162 /nfs/dbraw/zinc/50/91/62/943509162.db2.gz PCLVPBYODZKRLK-IBGZPJMESA-N 2 0 352.522 3.813 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423407072 943509301 /nfs/dbraw/zinc/50/93/01/943509301.db2.gz VGPMMVORGDRONO-TWINXVHLSA-N 2 0 355.345 3.820 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423443090 943512455 /nfs/dbraw/zinc/51/24/55/943512455.db2.gz QFQYCTVRNRCZMD-YHJVDBJQSA-N 2 0 358.917 3.873 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423451705 943514510 /nfs/dbraw/zinc/51/45/10/943514510.db2.gz YLVBODFYLZWCSK-USXIJHARSA-N 2 0 365.315 3.641 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000423428758 943515245 /nfs/dbraw/zinc/51/52/45/943515245.db2.gz GSNITOOKJKAOAX-NBHGPNQESA-N 2 0 352.526 3.836 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423458822 943521523 /nfs/dbraw/zinc/52/15/23/943521523.db2.gz QKMPEVYALBRLFJ-CXAGYDPISA-N 2 0 355.320 3.634 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423471602 943525118 /nfs/dbraw/zinc/52/51/18/943525118.db2.gz MOQVJVIKQWHXDY-NBMJBFSESA-N 2 0 364.505 3.942 20 0 FHADRP CC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629492 943528136 /nfs/dbraw/zinc/52/81/36/943528136.db2.gz XSYJCXXHUPFEKV-NRFANRHFSA-N 2 0 351.494 3.903 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423453147 943528171 /nfs/dbraw/zinc/52/81/71/943528171.db2.gz AECXWCOVWTXEET-BQFCYCMXSA-N 2 0 364.555 3.571 20 0 FHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423501924 943530005 /nfs/dbraw/zinc/53/00/05/943530005.db2.gz DLEGTRBHFBXTSM-GRERDSQWSA-N 2 0 361.599 3.609 20 0 FHADRP FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423486669 943533444 /nfs/dbraw/zinc/53/34/44/943533444.db2.gz BUZHSSGFEYQAIH-SQNIBIBYSA-N 2 0 356.432 3.700 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347271 943534850 /nfs/dbraw/zinc/53/48/50/943534850.db2.gz VQNIQDMLTOCEJS-RZXSNQJFSA-N 2 0 370.562 3.987 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423490904 943534921 /nfs/dbraw/zinc/53/49/21/943534921.db2.gz IUIWYCSAFHVSGD-JENIJYKNSA-N 2 0 364.493 3.691 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423491737 943535845 /nfs/dbraw/zinc/53/58/45/943535845.db2.gz ZSKWJLHZJSJTEC-WMZOPIPTSA-N 2 0 351.332 3.892 20 0 FHADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528090 943538584 /nfs/dbraw/zinc/53/85/84/943538584.db2.gz NTIGJSKKULCUGS-QKFMXRBCSA-N 2 0 360.517 3.517 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533632 943540061 /nfs/dbraw/zinc/54/00/61/943540061.db2.gz YBUYCZVIUXPDJT-AYLRFPOSSA-N 2 0 367.581 3.640 20 0 FHADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423511807 943541537 /nfs/dbraw/zinc/54/15/37/943541537.db2.gz PFARNCXMTLHEID-PPXMBRMGSA-N 2 0 361.961 3.782 20 0 FHADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423521749 943544607 /nfs/dbraw/zinc/54/46/07/943544607.db2.gz SWJZKRSCOOUVKQ-QETWGEEDSA-N 2 0 371.569 3.830 20 0 FHADRP Cc1cc2cc([C@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)oc2cc1C ZINC000423525762 943546722 /nfs/dbraw/zinc/54/67/22/943546722.db2.gz YOXZHFNRXQXZFF-KKXNLOMOSA-N 2 0 355.526 3.917 20 0 FHADRP COc1cccc(CCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435686679 943546742 /nfs/dbraw/zinc/54/67/42/943546742.db2.gz AJLDOFMSGYGUDV-LJQANCHMSA-N 2 0 371.550 3.729 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423535317 943550275 /nfs/dbraw/zinc/55/02/75/943550275.db2.gz XLKLIXJOAATFOH-STTLMXHVSA-N 2 0 363.549 3.775 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000423538101 943551003 /nfs/dbraw/zinc/55/10/03/943551003.db2.gz FHNDZMJTAUVDQV-AAJLLMFJSA-N 2 0 358.917 3.873 20 0 FHADRP CCc1ccc([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000423542584 943552657 /nfs/dbraw/zinc/55/26/57/943552657.db2.gz BFNVQTQXPFHSTP-QGZVFWFLSA-N 2 0 357.567 3.955 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423542500 943552767 /nfs/dbraw/zinc/55/27/67/943552767.db2.gz GONJKCJWKFGUJZ-BMFAXAFESA-N 2 0 363.343 3.748 20 0 FHADRP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423575129 943561334 /nfs/dbraw/zinc/56/13/34/943561334.db2.gz PWNYFYGKJMEVJF-MRXNPFEDSA-N 2 0 359.464 3.609 20 0 FHADRP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423580690 943563714 /nfs/dbraw/zinc/56/37/14/943563714.db2.gz YDCDANJNUITVJX-INIZCTEOSA-N 2 0 359.464 3.609 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000417390663 943566737 /nfs/dbraw/zinc/56/67/37/943566737.db2.gz ZBJDVIZPHSOEQE-UHFFFAOYSA-N 2 0 368.606 3.823 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435730452 943573510 /nfs/dbraw/zinc/57/35/10/943573510.db2.gz HBLIFUBBHFJRHT-FQEVSTJZSA-N 2 0 358.530 3.667 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2CNc2cccc(C[NH2+]C)c2)CC1 ZINC000414873081 943580378 /nfs/dbraw/zinc/58/03/78/943580378.db2.gz WXLVBVPCVDHEJX-UHFFFAOYSA-N 2 0 352.526 3.550 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000515239408 943590548 /nfs/dbraw/zinc/59/05/48/943590548.db2.gz DYKNEPLCKAMILB-PCCBWWKXSA-N 2 0 355.526 3.778 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000423986430 943674212 /nfs/dbraw/zinc/67/42/12/943674212.db2.gz XZVMQNIZXVUSTA-SFTDATJTSA-N 2 0 357.542 3.523 20 0 FHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](CC)c1ccccc1 ZINC000511636503 943706041 /nfs/dbraw/zinc/70/60/41/943706041.db2.gz WVAHXPFFHJQQSX-NRFANRHFSA-N 2 0 359.558 3.839 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549475061 943741655 /nfs/dbraw/zinc/74/16/55/943741655.db2.gz CEINWNYWAPYGCX-MOXGXCLJSA-N 2 0 369.475 3.703 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000516859973 943774209 /nfs/dbraw/zinc/77/42/09/943774209.db2.gz UHPMBFMMMVGMPP-TZIWHRDSSA-N 2 0 363.590 3.539 20 0 FHADRP [NH3+][C@@H](CCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)CC1CCCCC1 ZINC000424191816 943779633 /nfs/dbraw/zinc/77/96/33/943779633.db2.gz IHDDUUQKTQFPQE-INIZCTEOSA-N 2 0 364.559 3.627 20 0 FHADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777386 943784513 /nfs/dbraw/zinc/78/45/13/943784513.db2.gz IGDBOFPNVOTSDB-HZPDHXFCSA-N 2 0 358.917 3.562 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1Sc2ccccc2NC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257428 943796057 /nfs/dbraw/zinc/79/60/57/943796057.db2.gz SUAIWSNOQDUFOW-TWOQFEAHSA-N 2 0 373.566 3.732 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256703 943804764 /nfs/dbraw/zinc/80/47/64/943804764.db2.gz NRSYLGNXAWIHGL-OTWHNJEPSA-N 2 0 363.590 3.514 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000424266540 943813798 /nfs/dbraw/zinc/81/37/98/943813798.db2.gz WXAKDSMVGPNPPG-NQBQLGQDSA-N 2 0 372.553 3.589 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288076 943820205 /nfs/dbraw/zinc/82/02/05/943820205.db2.gz KBPGHSXLXBZOEO-AWEZNQCLSA-N 2 0 358.507 3.652 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424271208 943828482 /nfs/dbraw/zinc/82/84/82/943828482.db2.gz RPBMLUAIGZUEBD-FXELSEDVSA-N 2 0 360.542 3.700 20 0 FHADRP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414781283 943833200 /nfs/dbraw/zinc/83/32/00/943833200.db2.gz CBUJTPORHJBZBZ-UHFFFAOYSA-N 2 0 360.505 3.748 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000424278320 943833331 /nfs/dbraw/zinc/83/33/31/943833331.db2.gz IGSCIHBITATUJB-YJBOKZPZSA-N 2 0 374.912 3.766 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417698603 943835528 /nfs/dbraw/zinc/83/55/28/943835528.db2.gz GSHMOZCLKLMEKI-OALUTQOASA-N 2 0 374.573 3.537 20 0 FHADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782767 943847194 /nfs/dbraw/zinc/84/71/94/943847194.db2.gz OUHOEWRCMUYSOU-LSDHHAIUSA-N 2 0 354.441 3.508 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477916 943850321 /nfs/dbraw/zinc/85/03/21/943850321.db2.gz OUKXTYJRDRTHPS-DZFGPLHGSA-N 2 0 365.512 3.953 20 0 FHADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782761 943851129 /nfs/dbraw/zinc/85/11/29/943851129.db2.gz OUHOEWRCMUYSOU-CABCVRRESA-N 2 0 354.441 3.508 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)C[C@@H](C)O1 ZINC000424306232 943852767 /nfs/dbraw/zinc/85/27/67/943852767.db2.gz USOSHOLRBXGFFT-QWFCFKBJSA-N 2 0 373.566 3.906 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784191 943866626 /nfs/dbraw/zinc/86/66/26/943866626.db2.gz QWWMIIQAICVBMO-DLBZAZTESA-N 2 0 358.917 3.656 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417886737 943924253 /nfs/dbraw/zinc/92/42/53/943924253.db2.gz ZDQOUURMLSFFNV-WAOWUJCRSA-N 2 0 374.573 3.521 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000424429052 943924742 /nfs/dbraw/zinc/92/47/42/943924742.db2.gz VPEXRONMMSXPKZ-OXJNMPFZSA-N 2 0 354.498 3.575 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000424429920 943925577 /nfs/dbraw/zinc/92/55/77/943925577.db2.gz YNMWRTLOZWYGHB-SFHVURJKSA-N 2 0 360.889 3.532 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424435087 943927912 /nfs/dbraw/zinc/92/79/12/943927912.db2.gz KRAKJWANALLKRV-GOSISDBHSA-N 2 0 366.509 3.582 20 0 FHADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437583259 943944870 /nfs/dbraw/zinc/94/48/70/943944870.db2.gz ONIYMYJONGPLFC-QGZVFWFLSA-N 2 0 356.432 3.791 20 0 FHADRP c1cn(-c2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccn2)cn1 ZINC000364185896 944007590 /nfs/dbraw/zinc/00/75/90/944007590.db2.gz WCCTVNMAMDSLGP-DKUWSORSSA-N 2 0 373.504 3.553 20 0 FHADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647937266 944030395 /nfs/dbraw/zinc/03/03/95/944030395.db2.gz URCUEGNCGSKJDQ-UWJYYQICSA-N 2 0 367.493 3.867 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417985039 944037981 /nfs/dbraw/zinc/03/79/81/944037981.db2.gz PFZMWPIGFSVLMO-UHFFFAOYSA-N 2 0 359.558 3.722 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)ccn1 ZINC000437767525 944098291 /nfs/dbraw/zinc/09/82/91/944098291.db2.gz YMHPWXNEIWXQDW-UNMCSNQZSA-N 2 0 353.510 3.622 20 0 FHADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000437771211 944099855 /nfs/dbraw/zinc/09/98/55/944099855.db2.gz IESXDCWFAAXQPO-SMIHKQSGSA-N 2 0 364.533 3.853 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000500133549 944151026 /nfs/dbraw/zinc/15/10/26/944151026.db2.gz QEVIWZZOMODUMZ-OALUTQOASA-N 2 0 374.573 3.591 20 0 FHADRP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515755670 944183083 /nfs/dbraw/zinc/18/30/83/944183083.db2.gz YORQWGIAYPRPPY-RTBURBONSA-N 2 0 359.558 3.701 20 0 FHADRP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000515755668 944183213 /nfs/dbraw/zinc/18/32/13/944183213.db2.gz YORQWGIAYPRPPY-OALUTQOASA-N 2 0 359.558 3.701 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436312253 944191309 /nfs/dbraw/zinc/19/13/09/944191309.db2.gz UMZOPFYIGSUXRX-UHFFFAOYSA-N 2 0 364.839 3.684 20 0 FHADRP [NH3+]CCC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000418137530 944191318 /nfs/dbraw/zinc/19/13/18/944191318.db2.gz DZFFZOFUEJZPML-RTWAWAEBSA-N 2 0 372.557 3.563 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000550127917 944244318 /nfs/dbraw/zinc/24/43/18/944244318.db2.gz RYXVXDWHOXTCRU-IBGZPJMESA-N 2 0 357.542 3.553 20 0 FHADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000515838430 944257016 /nfs/dbraw/zinc/25/70/16/944257016.db2.gz WZVPQYMRMZVLJH-NHCUHLMSSA-N 2 0 357.542 3.586 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000506464240 944261988 /nfs/dbraw/zinc/26/19/88/944261988.db2.gz AHJZVHYOXOVRMS-UHFFFAOYSA-N 2 0 355.448 3.603 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000517405306 944274762 /nfs/dbraw/zinc/27/47/62/944274762.db2.gz HXQQIBHVTVHQFF-SFTDATJTSA-N 2 0 357.542 3.546 20 0 FHADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2ccccc2)cc1OC ZINC000414977761 944295249 /nfs/dbraw/zinc/29/52/49/944295249.db2.gz RRUFUNRARVMYNS-LJQANCHMSA-N 2 0 354.494 3.993 20 0 FHADRP Clc1ccc(OCc2cccnc2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414979909 944313840 /nfs/dbraw/zinc/31/38/40/944313840.db2.gz VQGPBZMXMLKOLP-LJQANCHMSA-N 2 0 359.901 3.936 20 0 FHADRP c1c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)onc1C1CC1 ZINC000638733886 944333176 /nfs/dbraw/zinc/33/31/76/944333176.db2.gz FBKAJHOTOXHRRA-UHFFFAOYSA-N 2 0 369.509 3.713 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000518413323 944359770 /nfs/dbraw/zinc/35/97/70/944359770.db2.gz XXMMDMQUVNAXON-ZRBLBEILSA-N 3 0 355.570 3.881 20 0 FHADRP CC1(C)C[N@H+](Cc2ccnc(N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837162 944393434 /nfs/dbraw/zinc/39/34/34/944393434.db2.gz NBVOHLWGNMYIDG-JOCHJYFZSA-N 2 0 364.537 3.786 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000426300205 944397311 /nfs/dbraw/zinc/39/73/11/944397311.db2.gz CULWSTPKWYPPLS-GBESFXJTSA-N 2 0 370.566 3.704 20 0 FHADRP Cn1cnc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000664838202 944400958 /nfs/dbraw/zinc/40/09/58/944400958.db2.gz RNNAFOAXOXIHEU-NRFANRHFSA-N 2 0 352.526 3.543 20 0 FHADRP CC(C)(C)c1cccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000466931082 944432495 /nfs/dbraw/zinc/43/24/95/944432495.db2.gz PDNRBKRLCHDIJD-UHFFFAOYSA-N 2 0 374.569 3.940 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418357558 944463831 /nfs/dbraw/zinc/46/38/31/944463831.db2.gz QWQFBVZTCDYANJ-SFTDATJTSA-N 2 0 368.525 3.589 20 0 FHADRP Brc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000319419828 944469222 /nfs/dbraw/zinc/46/92/22/944469222.db2.gz BJWKZXNLFGWGND-UHFFFAOYSA-N 2 0 360.299 3.645 20 0 FHADRP COc1ccc(Br)c(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000550265850 944624044 /nfs/dbraw/zinc/62/40/44/944624044.db2.gz ICCGRDCDQNGPEN-UHFFFAOYSA-N 2 0 355.320 3.813 20 0 FHADRP CCOc1cc2[nH+]ccc(NC3CC[NH+](CCOC)CC3)c2cc1OCC ZINC000112332770 944668200 /nfs/dbraw/zinc/66/82/00/944668200.db2.gz STJCTMAPMXVFBI-UHFFFAOYSA-N 2 0 373.497 3.555 20 0 FHADRP COC(=O)C1CCC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000426035203 944680339 /nfs/dbraw/zinc/68/03/39/944680339.db2.gz LDFSPLAQYYFPFV-FNOBOGDDSA-N 2 0 358.526 3.609 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000506867679 944682926 /nfs/dbraw/zinc/68/29/26/944682926.db2.gz NQICUJBGRNOJMD-JOCHJYFZSA-N 2 0 360.542 3.798 20 0 FHADRP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000311357898 944699930 /nfs/dbraw/zinc/69/99/30/944699930.db2.gz FDLUEQOLNVRGKD-GOSISDBHSA-N 2 0 369.475 3.515 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000418493618 944702728 /nfs/dbraw/zinc/70/27/28/944702728.db2.gz RCGZUXZOQINLHA-QGZVFWFLSA-N 2 0 360.546 3.550 20 0 FHADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000162740165 944704038 /nfs/dbraw/zinc/70/40/38/944704038.db2.gz PJIZJSWWNGYCOI-SFHVURJKSA-N 2 0 367.493 3.816 20 0 FHADRP Cc1nc2ccc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2s1 ZINC000426412532 944726617 /nfs/dbraw/zinc/72/66/17/944726617.db2.gz PPXOJNKGQZQQNP-HOTGVXAUSA-N 2 0 373.566 3.926 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000506892895 944733433 /nfs/dbraw/zinc/73/34/33/944733433.db2.gz GFKPFZBRNIEDAO-UHFFFAOYSA-N 2 0 370.516 3.936 20 0 FHADRP Cc1nc2ccc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)cc2s1 ZINC000426414993 944743615 /nfs/dbraw/zinc/74/36/15/944743615.db2.gz CEUJZCLNLUYWFS-UHFFFAOYSA-N 2 0 372.582 3.595 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000517867071 944744680 /nfs/dbraw/zinc/74/46/80/944744680.db2.gz INLAQQDPMAKJMD-FPOVZHCZSA-N 2 0 369.509 3.616 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000438560686 944770156 /nfs/dbraw/zinc/77/01/56/944770156.db2.gz HJHKHARPUBNFMU-XLIONFOSSA-N 2 0 357.542 3.639 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195215944 944830931 /nfs/dbraw/zinc/83/09/31/944830931.db2.gz JKWUWVGIGXTKBE-RXVVDRJESA-N 2 0 367.578 3.591 20 0 FHADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000439678571 944862115 /nfs/dbraw/zinc/86/21/15/944862115.db2.gz CYLZZBBCNGZRNM-NRFANRHFSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450344 944875008 /nfs/dbraw/zinc/87/50/08/944875008.db2.gz DDHQTMFFAIBOKJ-HYVJGQCMSA-N 2 0 374.488 3.779 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884744 944903707 /nfs/dbraw/zinc/90/37/07/944903707.db2.gz MNICIHSKXDDHMB-APWZRJJASA-N 2 0 365.949 3.571 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415004098 944909152 /nfs/dbraw/zinc/90/91/52/944909152.db2.gz NSVUYVHDWHPQMT-APWZRJJASA-N 2 0 370.541 3.921 20 0 FHADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414941721 944920907 /nfs/dbraw/zinc/92/09/07/944920907.db2.gz LWYIPJHQWZUKIE-PXNSSMCTSA-N 2 0 354.494 3.752 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518055834 944976220 /nfs/dbraw/zinc/97/62/20/944976220.db2.gz SBYWWGIPTYWYIR-BGYRXZFFSA-N 2 0 371.569 3.770 20 0 FHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414947243 944991056 /nfs/dbraw/zinc/99/10/56/944991056.db2.gz VXBURNPUXZXITI-TVQRCGJNSA-N 2 0 351.210 3.556 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000437075619 944993571 /nfs/dbraw/zinc/99/35/71/944993571.db2.gz HDDGQGDCXVMNDW-KNQAVFIVSA-N 2 0 371.569 3.756 20 0 FHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084530 945001299 /nfs/dbraw/zinc/00/12/99/945001299.db2.gz BJOSOXYOPHMUGI-XQBPLPMBSA-N 2 0 355.570 3.928 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@H](C)C1 ZINC000437089039 945008143 /nfs/dbraw/zinc/00/81/43/945008143.db2.gz ABJAAKYNYWBMKT-CTNGQTDRSA-N 2 0 361.574 3.758 20 0 FHADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439842658 945022827 /nfs/dbraw/zinc/02/28/27/945022827.db2.gz OSYUOVOMYLMSKH-NRFANRHFSA-N 2 0 355.526 3.670 20 0 FHADRP CCCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415005793 945044456 /nfs/dbraw/zinc/04/44/56/945044456.db2.gz JSFHOFTWUXOHBL-DOTOQJQBSA-N 2 0 352.906 3.615 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(OC)cc32)[C@H](C)C1 ZINC000467353176 945052182 /nfs/dbraw/zinc/05/21/82/945052182.db2.gz IYSMJBZMKCUUEF-XPGWFJOJSA-N 2 0 364.505 3.548 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000281018793 945495150 /nfs/dbraw/zinc/49/51/50/945495150.db2.gz XKFSURXEFDLTQA-IXDOHACOSA-N 2 0 350.934 3.923 20 0 FHADRP CCSc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000187796942 945598184 /nfs/dbraw/zinc/59/81/84/945598184.db2.gz MVWIIGWNSBWZSR-MRXNPFEDSA-N 2 0 359.539 3.985 20 0 FHADRP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416429 945684454 /nfs/dbraw/zinc/68/44/54/945684454.db2.gz IZHMLZBZKOACCQ-KSGXDFPGSA-N 2 0 363.496 3.703 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612724 945707798 /nfs/dbraw/zinc/70/77/98/945707798.db2.gz NSSRFXWKGADHDC-GDBMZVCRSA-N 2 0 366.431 3.819 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705292 945727763 /nfs/dbraw/zinc/72/77/63/945727763.db2.gz NZLXYJQEOFUAAL-UXHICEINSA-N 2 0 366.553 3.673 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NCc2cnnn2-c2ccccc2)CC1 ZINC000651713488 945743568 /nfs/dbraw/zinc/74/35/68/945743568.db2.gz RVTSZTPJZHFTAN-GOSISDBHSA-N 2 0 361.493 3.583 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714142 945746612 /nfs/dbraw/zinc/74/66/12/945746612.db2.gz RGXOZWLEGJYABA-GHTZIAJQSA-N 2 0 353.510 3.636 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2ccccc2)cn1 ZINC000651714144 945746815 /nfs/dbraw/zinc/74/68/15/945746815.db2.gz RGXOZWLEGJYABA-RXVVDRJESA-N 2 0 353.510 3.636 20 0 FHADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110792339 945758664 /nfs/dbraw/zinc/75/86/64/945758664.db2.gz UGESDCQTGMBRAL-LJQANCHMSA-N 2 0 371.569 3.668 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836150 945798588 /nfs/dbraw/zinc/79/85/88/945798588.db2.gz BYBXPMCYHCWSEH-IRXDYDNUSA-N 2 0 367.965 3.804 20 0 FHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000281727519 945824887 /nfs/dbraw/zinc/82/48/87/945824887.db2.gz PPKUSOQQRLNRGV-VVIORFSUSA-N 2 0 360.542 3.685 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CCC2 ZINC000192635129 945837614 /nfs/dbraw/zinc/83/76/14/945837614.db2.gz WIAICTCJPMJMND-GOSISDBHSA-N 2 0 370.493 3.994 20 0 FHADRP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000124681823 945857962 /nfs/dbraw/zinc/85/79/62/945857962.db2.gz KCHRMKILWDXPGW-OAQYLSRUSA-N 2 0 359.558 3.686 20 0 FHADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662756809 945889283 /nfs/dbraw/zinc/88/92/83/945889283.db2.gz JVXJNXIFSZLAKH-DZFGPLHGSA-N 2 0 371.569 3.509 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)C1 ZINC000440824693 945958673 /nfs/dbraw/zinc/95/86/73/945958673.db2.gz UUVYSAQMEBIYGB-CQSZACIVSA-N 2 0 366.431 3.950 20 0 FHADRP CCCc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000301802633 945973348 /nfs/dbraw/zinc/97/33/48/945973348.db2.gz TYCXKTJQJYYAEB-SFHVURJKSA-N 2 0 353.510 3.736 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000549544106 946014513 /nfs/dbraw/zinc/01/45/13/946014513.db2.gz ZXBPRHHYJHFILS-NRFANRHFSA-N 2 0 350.522 3.563 20 0 FHADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000522893917 946074867 /nfs/dbraw/zinc/07/48/67/946074867.db2.gz ICTYQVALXZJIPS-RXVVDRJESA-N 2 0 357.542 3.552 20 0 FHADRP CCOC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]2CCCC[C@@H]12 ZINC001167989291 946299963 /nfs/dbraw/zinc/29/99/63/946299963.db2.gz ZIZJKENNADHWSS-FTXAJZQOSA-N 2 0 374.569 3.693 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185838 946306537 /nfs/dbraw/zinc/30/65/37/946306537.db2.gz BLSTXHCXIPNDKU-BAGYTPMASA-N 2 0 374.569 3.937 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000549553115 946325868 /nfs/dbraw/zinc/32/58/68/946325868.db2.gz RAKMLVIRGLTYLJ-HJNYFJLDSA-N 2 0 371.569 3.639 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000248441136 946342848 /nfs/dbraw/zinc/34/28/48/946342848.db2.gz JZLGIRZKEOAMLU-XLIONFOSSA-N 2 0 372.509 3.719 20 0 FHADRP COC(=O)[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168067937 946428396 /nfs/dbraw/zinc/42/83/96/946428396.db2.gz VGLBHWPNHUVBSB-CMKODMSKSA-N 2 0 358.526 3.703 20 0 FHADRP C[C@H]1CC([N@@H+]2CC[C@@H](Oc3cccnc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168068489 946492921 /nfs/dbraw/zinc/49/29/21/946492921.db2.gz ZWTQOSCBSVSWOA-SFYKDHMMSA-N 2 0 365.521 3.976 20 0 FHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000520365032 946501871 /nfs/dbraw/zinc/50/18/71/946501871.db2.gz HCWSVQPXZXNGRY-GOSISDBHSA-N 2 0 357.542 3.523 20 0 FHADRP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423028540 946566443 /nfs/dbraw/zinc/56/64/43/946566443.db2.gz GQNVHCDYTWPBTC-JAXLGGSGSA-N 2 0 371.569 3.538 20 0 FHADRP Cc1nnc([C@H]2CCC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058209 946606629 /nfs/dbraw/zinc/60/66/29/946606629.db2.gz PCYCNKFTBDGLDH-JWWGGVBKSA-N 2 0 368.525 3.999 20 0 FHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000112657652 946713016 /nfs/dbraw/zinc/71/30/16/946713016.db2.gz CFYQKVMQMPXUFY-OAQYLSRUSA-N 2 0 352.526 3.816 20 0 FHADRP CC1CCN(C(=[NH2+])NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000303976168 946750782 /nfs/dbraw/zinc/75/07/82/946750782.db2.gz CBKOPJSUJWFELY-UHFFFAOYSA-N 2 0 362.949 3.808 20 0 FHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000119452263 946783934 /nfs/dbraw/zinc/78/39/34/946783934.db2.gz VKGNVOPPYJPKJJ-QFIPXVFZSA-N 2 0 365.521 3.625 20 0 FHADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270481 946802863 /nfs/dbraw/zinc/80/28/63/946802863.db2.gz RDHHZQQCEYMNKG-QAPCUYQASA-N 2 0 369.475 3.990 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475281250 946816057 /nfs/dbraw/zinc/81/60/57/946816057.db2.gz CMMZPCZWJJAEFD-WMZOPIPTSA-N 2 0 369.475 3.991 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284916 946824007 /nfs/dbraw/zinc/82/40/07/946824007.db2.gz KTMSXHYHCJRXAK-DOTOQJQBSA-N 2 0 355.448 3.601 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475288368 946826536 /nfs/dbraw/zinc/82/65/36/946826536.db2.gz SKTHXLPDFIGIPW-AGILITTLSA-N 2 0 363.549 3.619 20 0 FHADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347796 946878354 /nfs/dbraw/zinc/87/83/54/946878354.db2.gz MHPXRUOJRNZUJW-BASYENTBSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349017 946888811 /nfs/dbraw/zinc/88/88/11/946888811.db2.gz ZBEYQMFRYMOGQG-JQVVWYNYSA-N 2 0 367.493 3.592 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348539 946892934 /nfs/dbraw/zinc/89/29/34/946892934.db2.gz HQQRIDZPYZRVBP-XCRHUMRWSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348390 946893100 /nfs/dbraw/zinc/89/31/00/946893100.db2.gz BVINLWAXGZSNSM-AETAKHFUSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348537 946893160 /nfs/dbraw/zinc/89/31/60/946893160.db2.gz HQQRIDZPYZRVBP-MZMPZRCHSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360705 946928004 /nfs/dbraw/zinc/92/80/04/946928004.db2.gz OGUJMXUNENAKCN-KBRIMQKVSA-N 2 0 373.324 3.733 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824956569 947003425 /nfs/dbraw/zinc/00/34/25/947003425.db2.gz STCLOAVQXVGJFV-DZIBYMRMSA-N 2 0 368.529 3.560 20 0 FHADRP c1cc(C2CC[NH+](CCCC[NH+]3CCC(c4ccon4)CC3)CC2)no1 ZINC000662048528 947140216 /nfs/dbraw/zinc/14/02/16/947140216.db2.gz YUPDIZGUBAGDBH-UHFFFAOYSA-N 2 0 358.486 3.502 20 0 FHADRP CC(C)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766022 947201530 /nfs/dbraw/zinc/20/15/30/947201530.db2.gz GGGCAUBDNDMZHU-FPOVZHCZSA-N 2 0 371.569 3.524 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)[C@H](C)C1 ZINC000249612819 947330679 /nfs/dbraw/zinc/33/06/79/947330679.db2.gz SIRVJQSGVHFBRS-QMMLZNLJSA-N 2 0 360.542 3.799 20 0 FHADRP FC(F)(F)c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256124 947678335 /nfs/dbraw/zinc/67/83/35/947678335.db2.gz GQFWGCDLYXWPQQ-IRXDYDNUSA-N 2 0 354.416 3.753 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662265079 947683710 /nfs/dbraw/zinc/68/37/10/947683710.db2.gz WATJTVDBSVTNQF-FUHWJXTLSA-N 2 0 371.550 3.941 20 0 FHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264582 947683975 /nfs/dbraw/zinc/68/39/75/947683975.db2.gz RIJUZZLELLXYAY-DOTOQJQBSA-N 2 0 357.523 3.632 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)[C@H](C)C1 ZINC000189343996 947693887 /nfs/dbraw/zinc/69/38/87/947693887.db2.gz DEMUWBYHPKAYHN-DYESRHJHSA-N 2 0 355.526 3.770 20 0 FHADRP COc1ccccc1COC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662279223 947700273 /nfs/dbraw/zinc/70/02/73/947700273.db2.gz HXYGDBXLDWZCTA-UHFFFAOYSA-N 2 0 366.505 3.522 20 0 FHADRP Cc1ccc2cc(C[NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)ccc2n1 ZINC000189364547 947702388 /nfs/dbraw/zinc/70/23/88/947702388.db2.gz NPQKYFUKTCCIQU-UHFFFAOYSA-N 2 0 366.553 3.583 20 0 FHADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CCC2 ZINC000165193274 947707726 /nfs/dbraw/zinc/70/77/26/947707726.db2.gz GVCUELKJHUKCAZ-SFHVURJKSA-N 2 0 359.539 3.949 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291639 947714915 /nfs/dbraw/zinc/71/49/15/947714915.db2.gz WHMPPEUKBVLRNG-LAUBAEHRSA-N 2 0 371.569 3.850 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291619 947715359 /nfs/dbraw/zinc/71/53/59/947715359.db2.gz VUUGMKJJWXLDMW-IEBWSBKVSA-N 2 0 357.542 3.849 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291638 947715409 /nfs/dbraw/zinc/71/54/09/947715409.db2.gz WHMPPEUKBVLRNG-DYESRHJHSA-N 2 0 371.569 3.850 20 0 FHADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)cc1 ZINC000662293698 947716700 /nfs/dbraw/zinc/71/67/00/947716700.db2.gz MEAWSGFWXLRUIL-QFIPXVFZSA-N 2 0 365.521 3.872 20 0 FHADRP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296794 947722348 /nfs/dbraw/zinc/72/23/48/947722348.db2.gz NMCNJHLWMFVXSI-CRAIPNDOSA-N 2 0 372.488 3.957 20 0 FHADRP c1cc(COc2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc2)ccn1 ZINC000663347589 947820389 /nfs/dbraw/zinc/82/03/89/947820389.db2.gz PMPJAMXGLAYDDQ-JOCHJYFZSA-N 2 0 365.521 3.872 20 0 FHADRP CN(C(=O)CC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000663359471 947847392 /nfs/dbraw/zinc/84/73/92/947847392.db2.gz HFQQQTDCRCOILZ-OAQYLSRUSA-N 2 0 365.521 3.541 20 0 FHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000165288081 947875092 /nfs/dbraw/zinc/87/50/92/947875092.db2.gz CNIGUUSBWVFFAW-NQIIRXRSSA-N 2 0 365.521 3.860 20 0 FHADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525961 947888379 /nfs/dbraw/zinc/88/83/79/947888379.db2.gz NEQOCAYSSIFHFC-FCHUYYIVSA-N 2 0 363.505 3.564 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000662582969 947912418 /nfs/dbraw/zinc/91/24/18/947912418.db2.gz ILTNZERVQPUPQD-KRWDZBQOSA-N 2 0 363.571 3.824 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466154 948050980 /nfs/dbraw/zinc/05/09/80/948050980.db2.gz ORJSBZIRQRZNBY-NFBKMPQASA-N 2 0 369.597 3.794 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470142 948064670 /nfs/dbraw/zinc/06/46/70/948064670.db2.gz SLPOPXNNOJIETD-FUHWJXTLSA-N 2 0 370.541 3.743 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001167822233 948086932 /nfs/dbraw/zinc/08/69/32/948086932.db2.gz HUNFPQIOMBCXEL-QUCCMNQESA-N 2 0 352.563 3.547 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001167822895 948092398 /nfs/dbraw/zinc/09/23/98/948092398.db2.gz BAWSSJXMBBTKDM-SFHVURJKSA-N 2 0 357.542 3.873 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001167825481 948122850 /nfs/dbraw/zinc/12/28/50/948122850.db2.gz JMHHLAWWUZMAHM-ZDUSSCGKSA-N 2 0 362.440 3.778 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000663506542 948125676 /nfs/dbraw/zinc/12/56/76/948125676.db2.gz ULJMGYRVIWNZLR-UNMCSNQZSA-N 2 0 371.569 3.683 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001167826242 948128619 /nfs/dbraw/zinc/12/86/19/948128619.db2.gz NFQWUHIWXJXLEQ-QGZVFWFLSA-N 2 0 356.514 3.648 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001167827685 948156554 /nfs/dbraw/zinc/15/65/54/948156554.db2.gz UTBBEEOTWWJOAV-TZIWHRDSSA-N 2 0 371.569 3.635 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001167827682 948156672 /nfs/dbraw/zinc/15/66/72/948156672.db2.gz UTBBEEOTWWJOAV-CTNGQTDRSA-N 2 0 371.569 3.635 20 0 FHADRP COc1cc(-c2ccccc2)ccc1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432344567 948172145 /nfs/dbraw/zinc/17/21/45/948172145.db2.gz DTVLMGOPLSHNBJ-IBGZPJMESA-N 2 0 368.521 3.953 20 0 FHADRP CC[C@@H](C[NH2+]Cc1ncc(CN(C)C)s1)Oc1cccc(Cl)c1 ZINC000512010882 948182936 /nfs/dbraw/zinc/18/29/36/948182936.db2.gz YAVHEHTZOCRGLI-AWEZNQCLSA-N 2 0 353.919 3.805 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000432353031 948200422 /nfs/dbraw/zinc/20/04/22/948200422.db2.gz HAKVSARWGYPGTN-HXUWFJFHSA-N 2 0 368.521 3.856 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001167833366 948220776 /nfs/dbraw/zinc/22/07/76/948220776.db2.gz AJTYVMXPDHSBNM-ICSRJNTNSA-N 2 0 350.547 3.950 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001167834059 948246558 /nfs/dbraw/zinc/24/65/58/948246558.db2.gz HDTWOCAVKCGSMU-BZSNNMDCSA-N 2 0 355.567 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001167834740 948275167 /nfs/dbraw/zinc/27/51/67/948275167.db2.gz MPFNGHSCNPRZNW-ZWKOTPCHSA-N 2 0 355.567 3.828 20 0 FHADRP CCn1c2ccccc2nc1N1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835282 948288116 /nfs/dbraw/zinc/28/81/16/948288116.db2.gz QUBXLMHOTQFZNG-IBGZPJMESA-N 2 0 371.573 3.689 20 0 FHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000512044849 948288165 /nfs/dbraw/zinc/28/81/65/948288165.db2.gz IGUCKOVCBVTBGX-UHFFFAOYSA-N 2 0 362.468 3.670 20 0 FHADRP C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(Br)c1 ZINC000432411313 948362254 /nfs/dbraw/zinc/36/22/54/948362254.db2.gz XFLNFQMIXARMRH-HUUCEWRRSA-N 2 0 355.320 3.601 20 0 FHADRP C[C@@H]1C[N@H+](CCCN[C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422265 948384141 /nfs/dbraw/zinc/38/41/41/948384141.db2.gz DDNOELNRJKVQSH-QAPCUYQASA-N 2 0 352.906 3.644 20 0 FHADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000512094200 948405382 /nfs/dbraw/zinc/40/53/82/948405382.db2.gz HOWBLWNHABKCNM-BNDYYXHWSA-N 2 0 357.542 3.509 20 0 FHADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372608 948425064 /nfs/dbraw/zinc/42/50/64/948425064.db2.gz MTSXIWLSHLGSGN-GOEBONIOSA-N 2 0 358.917 3.969 20 0 FHADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512108300 948439870 /nfs/dbraw/zinc/43/98/70/948439870.db2.gz VDNNCFJXBBBISD-VAMGGRTRSA-N 2 0 371.569 3.940 20 0 FHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000512128281 948501123 /nfs/dbraw/zinc/50/11/23/948501123.db2.gz GJODLBLEIYWLOZ-HDICACEKSA-N 2 0 353.510 3.543 20 0 FHADRP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000512128283 948501520 /nfs/dbraw/zinc/50/15/20/948501520.db2.gz GJODLBLEIYWLOZ-ROUUACIJSA-N 2 0 353.510 3.543 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184221910 948544330 /nfs/dbraw/zinc/54/43/30/948544330.db2.gz ZYMUWKGQOPTILW-UHFFFAOYSA-N 2 0 361.530 3.645 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152415798 948566712 /nfs/dbraw/zinc/56/67/12/948566712.db2.gz UOEGFPDYAOISAI-GUYCJALGSA-N 2 0 365.315 3.737 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc4ccccc4n3)CC2)C[C@@H](C)O1 ZINC000512187360 948737062 /nfs/dbraw/zinc/73/70/62/948737062.db2.gz QAMYUMJAUGAYFN-QZTJIDSGSA-N 2 0 353.510 3.556 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C[C@@H](C)O1 ZINC000512188283 948741620 /nfs/dbraw/zinc/74/16/20/948741620.db2.gz XUMMJPJCNIOCLB-RTBURBONSA-N 2 0 372.553 3.797 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000520732910 948761345 /nfs/dbraw/zinc/76/13/45/948761345.db2.gz WJICHCKCTAVHNV-HXUWFJFHSA-N 2 0 357.542 3.665 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](CCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000110737298 209327194 /nfs/dbraw/zinc/32/71/94/209327194.db2.gz MDEVRUROSFKKKZ-IRXDYDNUSA-N 2 0 350.934 3.704 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000623056955 567823857 /nfs/dbraw/zinc/82/38/57/567823857.db2.gz TUIKLEZARWFBTA-HXUWFJFHSA-N 2 0 354.498 3.693 20 0 FHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000186981813 568035274 /nfs/dbraw/zinc/03/52/74/568035274.db2.gz DYZYPOJUFNYKTP-UXHICEINSA-N 2 0 361.599 3.702 20 0 FHADRP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Oc1ccncc1 ZINC000604220013 568230404 /nfs/dbraw/zinc/23/04/04/568230404.db2.gz GHGUATNJMFPSKQ-RTBURBONSA-N 2 0 351.450 3.539 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000604418317 568276300 /nfs/dbraw/zinc/27/63/00/568276300.db2.gz QWASNURTQPSYSJ-MAUKXSAKSA-N 2 0 374.447 3.812 20 0 FHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435383 608550522 /nfs/dbraw/zinc/55/05/22/608550522.db2.gz WNZHKMUXGUTXSM-INIZCTEOSA-N 2 0 364.497 3.511 20 0 FHADRP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N(C)C)cc[nH+]2)CC3)cs1 ZINC001164692595 719808237 /nfs/dbraw/zinc/80/82/37/719808237.db2.gz KMQFHHFPRWPZBM-UHFFFAOYSA-N 2 0 371.554 3.548 20 0 FHADRP Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c1C ZINC001164904825 721698879 /nfs/dbraw/zinc/69/88/79/721698879.db2.gz GVMLUJFCHZPIOB-HXUWFJFHSA-N 2 0 372.463 3.831 20 0 FHADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc4[nH]ccc4c[nH+]2)C3)c1 ZINC001164992875 722193818 /nfs/dbraw/zinc/19/38/18/722193818.db2.gz BRCXUGYLDPFGSV-NRFANRHFSA-N 2 0 350.441 3.947 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)C1CC[NH+](C)CC1 ZINC000126123892 936388960 /nfs/dbraw/zinc/38/89/60/936388960.db2.gz YJZFAGCPBKFEBV-MRXNPFEDSA-N 2 0 369.484 3.898 20 0 FHADRP CCC[NH+]1CCC(NCc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000061016430 937080233 /nfs/dbraw/zinc/08/02/33/937080233.db2.gz ILQURYYAWCTIIA-UHFFFAOYSA-N 2 0 364.383 3.853 20 0 FHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162503489 937145890 /nfs/dbraw/zinc/14/58/90/937145890.db2.gz GVJWWCBRNHHTPD-IBGZPJMESA-N 2 0 367.537 3.650 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000274634957 927295247 /nfs/dbraw/zinc/29/52/47/927295247.db2.gz CWMZXSCCEOPOEY-MRXNPFEDSA-N 2 0 363.571 3.649 20 0 FHADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776681 927388164 /nfs/dbraw/zinc/38/81/64/927388164.db2.gz ZNBASJDDOFADJS-CRAIPNDOSA-N 2 0 358.448 3.635 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000643546745 927418534 /nfs/dbraw/zinc/41/85/34/927418534.db2.gz UHURAKISCOUAAF-GXTWGEPZSA-N 2 0 353.304 3.783 20 0 FHADRP CCc1nn(C)c(CC)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000535943946 937174803 /nfs/dbraw/zinc/17/48/03/937174803.db2.gz ULWPNSREHRUNIK-AZUAARDMSA-N 2 0 368.569 3.935 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458413728 937204817 /nfs/dbraw/zinc/20/48/17/937204817.db2.gz PERARXCLUUISHR-GOSISDBHSA-N 2 0 374.573 3.632 20 0 FHADRP CCC[NH+]1CCC(NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000119190920 928059430 /nfs/dbraw/zinc/05/94/30/928059430.db2.gz UIQRNVAPBDMBIL-OAQYLSRUSA-N 2 0 359.558 3.686 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000179387723 928737840 /nfs/dbraw/zinc/73/78/40/928737840.db2.gz AZDAYKPDWUYCAM-IRXDYDNUSA-N 2 0 356.489 3.774 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154543902 928918572 /nfs/dbraw/zinc/91/85/72/928918572.db2.gz NIPGBDLACQNJIP-MRXNPFEDSA-N 2 0 373.463 3.654 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000437148120 945069545 /nfs/dbraw/zinc/06/95/45/945069545.db2.gz PJYUTJKTNRGGQP-UHFFFAOYSA-N 2 0 350.510 3.910 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180135443 929391982 /nfs/dbraw/zinc/39/19/82/929391982.db2.gz AWNOLVIIXWZXGA-HMFYCAOWSA-N 2 0 372.532 3.996 20 0 FHADRP Cc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c(C)c1 ZINC000180485669 929522897 /nfs/dbraw/zinc/52/28/97/929522897.db2.gz YLPAWSYKYNLJGR-HSZRJFAPSA-N 2 0 352.522 3.687 20 0 FHADRP Cc1ccc(C)c([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180495634 929525944 /nfs/dbraw/zinc/52/59/44/929525944.db2.gz USILLYCBZGCNIS-NZQKXSOJSA-N 2 0 351.538 3.618 20 0 FHADRP Cc1ccc(C)c([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180495680 929526268 /nfs/dbraw/zinc/52/62/68/929526268.db2.gz USILLYCBZGCNIS-OFNKIYASSA-N 2 0 351.538 3.618 20 0 FHADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Oc1ccccc1 ZINC000150906662 937346374 /nfs/dbraw/zinc/34/63/74/937346374.db2.gz ZALFZZPAMVTQSC-LJQANCHMSA-N 2 0 367.537 3.774 20 0 FHADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000683689691 929802854 /nfs/dbraw/zinc/80/28/54/929802854.db2.gz INPKCKFYFDHLST-JOCHJYFZSA-N 2 0 369.528 3.725 20 0 FHADRP C[C@@H](CC[NH+]1CCC(OC2CCC2)CC1)[NH+]1CCC(OC2CCC2)CC1 ZINC000419293516 930093933 /nfs/dbraw/zinc/09/39/33/930093933.db2.gz ALMSTGCBPAUELV-SFHVURJKSA-N 2 0 364.574 3.832 20 0 FHADRP CCOc1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000092821597 937391757 /nfs/dbraw/zinc/39/17/57/937391757.db2.gz VDKUYNPCOXXVEQ-UHFFFAOYSA-N 2 0 354.498 3.614 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000580067796 930208861 /nfs/dbraw/zinc/20/88/61/930208861.db2.gz JSDUGHRBYKQORC-APWZRJJASA-N 2 0 371.550 3.971 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc12 ZINC000150961824 937405163 /nfs/dbraw/zinc/40/51/63/937405163.db2.gz JJSQNVYXLQOMNW-QGZVFWFLSA-N 2 0 355.526 3.525 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000150957277 937399679 /nfs/dbraw/zinc/39/96/79/937399679.db2.gz HHYXTXKLXMBJOQ-QHCPKHFHSA-N 2 0 351.538 3.586 20 0 FHADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000580138085 930295293 /nfs/dbraw/zinc/29/52/93/930295293.db2.gz AQGWBTFDCQXYHD-IBGZPJMESA-N 2 0 374.573 3.591 20 0 FHADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c1OC ZINC000580297646 930449446 /nfs/dbraw/zinc/44/94/46/930449446.db2.gz SMYPGAFUMIAIJT-FQEVSTJZSA-N 2 0 368.521 3.666 20 0 FHADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)sc1Cl ZINC000150971272 937417161 /nfs/dbraw/zinc/41/71/61/937417161.db2.gz MQYFGMZCJNRHIY-NSHDSACASA-N 2 0 350.359 3.732 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000656193010 930567579 /nfs/dbraw/zinc/56/75/79/930567579.db2.gz HORPQBICIHVZRH-GDBMZVCRSA-N 2 0 356.341 3.817 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)[NH+](C)C)cc1 ZINC000548086138 930582107 /nfs/dbraw/zinc/58/21/07/930582107.db2.gz SYKBTXFBISNSEV-JOCHJYFZSA-N 2 0 365.521 3.624 20 0 FHADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510328264 930652454 /nfs/dbraw/zinc/65/24/54/930652454.db2.gz ACMKCNQUZDUVFY-IBGZPJMESA-N 2 0 357.542 3.553 20 0 FHADRP C[C@@H]([NH3+])C1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000580418241 930662184 /nfs/dbraw/zinc/66/21/84/930662184.db2.gz RUOLYQBANJXZBM-GOSISDBHSA-N 2 0 372.557 3.552 20 0 FHADRP CCOc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000152690735 930675992 /nfs/dbraw/zinc/67/59/92/930675992.db2.gz MAPUMSMFPHSHPJ-UHFFFAOYSA-N 2 0 368.468 3.995 20 0 FHADRP COc1cc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000580438002 930676835 /nfs/dbraw/zinc/67/68/35/930676835.db2.gz HWEGHLAYFALUHE-UHFFFAOYSA-N 2 0 358.457 3.729 20 0 FHADRP CC[N@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)CC(C)(C)O ZINC001167425387 930946886 /nfs/dbraw/zinc/94/68/86/930946886.db2.gz QRBGZOROZXZDLG-QFIPXVFZSA-N 2 0 354.538 3.995 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000047978567 930967558 /nfs/dbraw/zinc/96/75/58/930967558.db2.gz VJVXTDCIXLQJIQ-UHFFFAOYSA-N 2 0 356.457 3.850 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000580738001 931083222 /nfs/dbraw/zinc/08/32/22/931083222.db2.gz UVFQQBTWOWIYLL-IBGZPJMESA-N 2 0 359.901 3.843 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000580814347 931198254 /nfs/dbraw/zinc/19/82/54/931198254.db2.gz FKWLZFGZGSSCIE-CQSZACIVSA-N 2 0 362.315 3.817 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000580901870 931319886 /nfs/dbraw/zinc/31/98/86/931319886.db2.gz DDBOMTDWWYRWLQ-IAGOWNOFSA-N 2 0 356.432 3.613 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000684112990 931355502 /nfs/dbraw/zinc/35/55/02/931355502.db2.gz LJARGFUKOOOTOK-VSKRKVRLSA-N 2 0 366.553 3.948 20 0 FHADRP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n(-c2ccccc2)n1 ZINC000684142670 931556789 /nfs/dbraw/zinc/55/67/89/931556789.db2.gz UZUZWEICOVQQRZ-UHFFFAOYSA-N 2 0 352.526 3.960 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000066990440 931740979 /nfs/dbraw/zinc/74/09/79/931740979.db2.gz KHCJKGTWQZXCQU-UHFFFAOYSA-N 2 0 367.537 3.653 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581255462 931743501 /nfs/dbraw/zinc/74/35/01/931743501.db2.gz IOWMMLIQECQZOG-DLBZAZTESA-N 2 0 365.587 3.504 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559201 931845195 /nfs/dbraw/zinc/84/51/95/931845195.db2.gz ZYZFBNVRRAVGRC-PKOBYXMFSA-N 2 0 351.494 3.741 20 0 FHADRP Clc1ccc(CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000466904308 931941926 /nfs/dbraw/zinc/94/19/26/931941926.db2.gz HNPDEKIPHSHYAP-UHFFFAOYSA-N 2 0 350.934 3.849 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1cccc(Cl)c1Cl ZINC000581423594 932045863 /nfs/dbraw/zinc/04/58/63/932045863.db2.gz IBRKQPINFRITPC-NSHDSACASA-N 2 0 354.281 3.885 20 0 FHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581458112 932091212 /nfs/dbraw/zinc/09/12/12/932091212.db2.gz BUFMTWWHFJHMHJ-CTNGQTDRSA-N 2 0 352.526 3.689 20 0 FHADRP CSc1c(F)cc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1F ZINC001215925533 932302559 /nfs/dbraw/zinc/30/25/59/932302559.db2.gz ZZJWMRCLGFKTPR-UHFFFAOYSA-N 2 0 350.438 3.577 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000656677830 932320802 /nfs/dbraw/zinc/32/08/02/932320802.db2.gz QNIDQEZQGGYSQK-OAHLLOKOSA-N 2 0 368.468 3.830 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(F)cc2)c1)C1CCOCC1 ZINC000076399922 932377196 /nfs/dbraw/zinc/37/71/96/932377196.db2.gz OQJJHLVWYUEIPS-UHFFFAOYSA-N 2 0 372.484 3.605 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656784481 932418974 /nfs/dbraw/zinc/41/89/74/932418974.db2.gz DMTIUNFKQSXMMR-MRXNPFEDSA-N 2 0 354.441 3.508 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC000656785521 932420655 /nfs/dbraw/zinc/42/06/55/932420655.db2.gz LJQMRJFSOIVXOY-OAHLLOKOSA-N 2 0 354.441 3.508 20 0 FHADRP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786781 932425974 /nfs/dbraw/zinc/42/59/74/932425974.db2.gz QLLFVGIREIBUAA-QGZVFWFLSA-N 2 0 358.917 3.942 20 0 FHADRP c1ccc(COc2ccccc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656785946 932426003 /nfs/dbraw/zinc/42/60/03/932426003.db2.gz NROBSGBEBBVRPV-FQEVSTJZSA-N 2 0 365.521 3.872 20 0 FHADRP Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C[C@@H]2CCOc3ccccc32)cc1F ZINC000656789367 932426757 /nfs/dbraw/zinc/42/67/57/932426757.db2.gz WRQHVOPODWYKRJ-FTRWYGJKSA-N 2 0 358.432 3.566 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000581661030 932429921 /nfs/dbraw/zinc/42/99/21/932429921.db2.gz BYDNDOABIJGWIO-JTQLQIEISA-N 2 0 350.356 3.540 20 0 FHADRP CO[C@H]1CCC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684385706 932497626 /nfs/dbraw/zinc/49/76/26/932497626.db2.gz ZDMHQWSQECXGJQ-IRLDBZIGSA-N 2 0 360.542 3.605 20 0 FHADRP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411343 932588406 /nfs/dbraw/zinc/58/84/06/932588406.db2.gz KECLYCQEFZIMSS-YJBOKZPZSA-N 2 0 356.432 3.934 20 0 FHADRP Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000891569710 932775103 /nfs/dbraw/zinc/77/51/03/932775103.db2.gz PKGRISTXTIQMHZ-KRWDZBQOSA-N 2 0 350.466 3.548 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000581882756 932831096 /nfs/dbraw/zinc/83/10/96/932831096.db2.gz NEWCPOJZZCLEIH-BBWFWOEESA-N 2 0 367.493 3.568 20 0 FHADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC000647199117 932986255 /nfs/dbraw/zinc/98/62/55/932986255.db2.gz NOHVGJZSWUVELC-UHFFFAOYSA-N 2 0 358.432 3.895 20 0 FHADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510500371 933091978 /nfs/dbraw/zinc/09/19/78/933091978.db2.gz JEZMEFACBHUJID-LJQANCHMSA-N 2 0 357.542 3.918 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)s1 ZINC000426306793 933231338 /nfs/dbraw/zinc/23/13/38/933231338.db2.gz LNDSUSFTNZKLMH-RDJZCZTQSA-N 2 0 350.576 3.837 20 0 FHADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2ccccc2)cc1OC ZINC000430934548 933440338 /nfs/dbraw/zinc/44/03/38/933440338.db2.gz NBIRKHIYAQXROZ-UHFFFAOYSA-N 2 0 366.505 3.946 20 0 FHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCOc3ccccc3)CC2)CC1 ZINC000430941551 933454677 /nfs/dbraw/zinc/45/46/77/933454677.db2.gz XDIBLOZCCAGUTJ-UHFFFAOYSA-N 2 0 373.585 3.584 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000430944639 933460819 /nfs/dbraw/zinc/46/08/19/933460819.db2.gz NDEQUJPGKLATGK-QGZVFWFLSA-N 2 0 351.494 3.931 20 0 FHADRP Cc1cccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510712779 933488961 /nfs/dbraw/zinc/48/89/61/933488961.db2.gz IQDFPDSYNVODNU-CVDCTZTESA-N 2 0 369.528 3.697 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000562956380 933515655 /nfs/dbraw/zinc/51/56/55/933515655.db2.gz QTKXGHFXBXABPG-QFIPXVFZSA-N 2 0 354.494 3.577 20 0 FHADRP Cc1cccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cccc(F)c2)c1 ZINC000510719899 933527330 /nfs/dbraw/zinc/52/73/30/933527330.db2.gz VKMSYIAULDYHRX-JOCHJYFZSA-N 2 0 356.485 3.517 20 0 FHADRP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000431032413 933709107 /nfs/dbraw/zinc/70/91/07/933709107.db2.gz CKJJBGBDSOEIQM-ZXIXHQEUSA-N 2 0 369.553 3.591 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000431061986 933764021 /nfs/dbraw/zinc/76/40/21/933764021.db2.gz YVDXWXJLNWLXQV-XMSQKQJNSA-N 2 0 365.521 3.990 20 0 FHADRP CCC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000431082049 933813028 /nfs/dbraw/zinc/81/30/28/933813028.db2.gz SIUCTYWXYINQCZ-UHFFFAOYSA-N 2 0 351.494 3.903 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000510837402 933833959 /nfs/dbraw/zinc/83/39/59/933833959.db2.gz LCBDVLCPYICHAP-ZWKOTPCHSA-N 2 0 357.542 3.664 20 0 FHADRP C[N@H+](CCOc1ccc(Cl)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746853 933861663 /nfs/dbraw/zinc/86/16/63/933861663.db2.gz QSPAFEWAAAURPE-PBWFPOADSA-N 2 0 373.722 3.696 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000510889389 933972403 /nfs/dbraw/zinc/97/24/03/933972403.db2.gz WQNQCOQDUGDWCB-DLBZAZTESA-N 2 0 371.500 3.565 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000092381110 934031099 /nfs/dbraw/zinc/03/10/99/934031099.db2.gz JFFOWALCJUFZPF-UHFFFAOYSA-N 2 0 353.510 3.824 20 0 FHADRP COc1ccc(Br)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000092381090 934031350 /nfs/dbraw/zinc/03/13/50/934031350.db2.gz JXDXHIOYJPYEFW-UHFFFAOYSA-N 2 0 355.320 3.621 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)N1CC[NH+](C)CC1 ZINC000132456866 934055887 /nfs/dbraw/zinc/05/58/87/934055887.db2.gz CIHHHLLBIVNRSL-XIRDDKMYSA-N 2 0 353.601 3.535 20 0 FHADRP Oc1cccc2c(N3CCC([NH2+]CCOc4ccccc4)CC3)cc[nH+]c12 ZINC000684573972 934108027 /nfs/dbraw/zinc/10/80/27/934108027.db2.gz LFERZERBTYLLGA-UHFFFAOYSA-N 2 0 363.461 3.578 20 0 FHADRP COCc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844280 934180374 /nfs/dbraw/zinc/18/03/74/934180374.db2.gz YRKBKGIZRHAXIT-KDURUIRLSA-N 2 0 360.542 3.544 20 0 FHADRP FC(F)(F)COCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535676221 934256311 /nfs/dbraw/zinc/25/63/11/934256311.db2.gz OSZPKZJWEPPMKI-UHFFFAOYSA-N 2 0 370.459 3.944 20 0 FHADRP COC(=O)c1ccoc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535679813 934260832 /nfs/dbraw/zinc/26/08/32/934260832.db2.gz IYLJVAAWZGDVRZ-UHFFFAOYSA-N 2 0 368.477 3.554 20 0 FHADRP Oc1cccc2c(NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc[nH+]c12 ZINC000684590877 934324513 /nfs/dbraw/zinc/32/45/13/934324513.db2.gz RPIHKONUPVZRAP-GOSISDBHSA-N 2 0 363.461 3.643 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000510987588 934462460 /nfs/dbraw/zinc/46/24/60/934462460.db2.gz SRDNWYMFEOAIJH-VLCRHTCISA-N 2 0 350.506 3.880 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([NH+](C)C)CC3)n2)cc1F ZINC000277041895 934464708 /nfs/dbraw/zinc/46/47/08/934464708.db2.gz BVFGCYYMXMFQDR-KRWDZBQOSA-N 2 0 360.477 3.533 20 0 FHADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000610814292 934494055 /nfs/dbraw/zinc/49/40/55/934494055.db2.gz FTAUHMZZNWBOBT-CZUORRHYSA-N 2 0 372.294 3.674 20 0 FHADRP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458295519 934589184 /nfs/dbraw/zinc/58/91/84/934589184.db2.gz WXWYJQRCIWQNDG-NRFANRHFSA-N 2 0 351.494 3.660 20 0 FHADRP C[C@@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236660074 934759639 /nfs/dbraw/zinc/75/96/39/934759639.db2.gz CESYIYUUCABCRS-SIKLNZKXSA-N 2 0 371.569 3.602 20 0 FHADRP CCN(CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(F)(F)F ZINC001167500861 934819758 /nfs/dbraw/zinc/81/97/58/934819758.db2.gz XCIRSRIEYFWNSP-IBGZPJMESA-N 2 0 371.491 3.715 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000236886536 934990801 /nfs/dbraw/zinc/99/08/01/934990801.db2.gz JYDBNYLCRCNGKJ-DYESRHJHSA-N 2 0 369.509 3.682 20 0 FHADRP c1ccc([C@H]2CCC[C@H](C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)O2)cc1 ZINC001167533867 935141331 /nfs/dbraw/zinc/14/13/31/935141331.db2.gz NAPHIRUFVBPVKY-DHIUTWEWSA-N 2 0 372.553 3.874 20 0 FHADRP c1ccc([C@H]2CCC[C@@H](C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)O2)cc1 ZINC001167533870 935141479 /nfs/dbraw/zinc/14/14/79/935141479.db2.gz NAPHIRUFVBPVKY-XZOQPEGZSA-N 2 0 372.553 3.874 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1ccnc1 ZINC000563236905 935197797 /nfs/dbraw/zinc/19/77/97/935197797.db2.gz AEEMAVKIHVFJSU-OTWHNJEPSA-N 2 0 368.525 3.629 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000582067777 935208829 /nfs/dbraw/zinc/20/88/29/935208829.db2.gz IWUBYZWVMURPKK-QGZVFWFLSA-N 2 0 351.494 3.741 20 0 FHADRP CSCc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000892192089 935302609 /nfs/dbraw/zinc/30/26/09/935302609.db2.gz KOFJCUPUZZDOJJ-UHFFFAOYSA-N 2 0 361.599 3.540 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000657354346 935330868 /nfs/dbraw/zinc/33/08/68/935330868.db2.gz ONJPUHIBGRVYRT-UHFFFAOYSA-N 2 0 372.944 3.953 20 0 FHADRP CC(C)[NH+]1CCC(N(C)Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000506392895 945096978 /nfs/dbraw/zinc/09/69/78/945096978.db2.gz ALSMZHZLWPTTGS-UHFFFAOYSA-N 2 0 353.510 3.965 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415006700 945102379 /nfs/dbraw/zinc/10/23/79/945102379.db2.gz QQDXLVDDDNUGCN-UYAOXDASSA-N 2 0 354.542 3.836 20 0 FHADRP CSC1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000582307157 935508842 /nfs/dbraw/zinc/50/88/42/935508842.db2.gz WZMKWWLOOPZSNH-UHFFFAOYSA-N 2 0 362.461 3.545 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000582414396 935670721 /nfs/dbraw/zinc/67/07/21/935670721.db2.gz GQMIQXUEYMJIOS-VFNWGFHPSA-N 2 0 372.944 3.990 20 0 FHADRP Cc1ncsc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000657448050 935789315 /nfs/dbraw/zinc/78/93/15/935789315.db2.gz GWFYHARENBTJAZ-INIZCTEOSA-N 2 0 359.539 3.709 20 0 FHADRP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(-n3cccc3C[NH3+])c2c1C ZINC001167586336 935847772 /nfs/dbraw/zinc/84/77/72/935847772.db2.gz MDLXVRGUFUHIBA-UHFFFAOYSA-N 2 0 369.538 3.789 20 0 FHADRP CCC1CCC([N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001167587233 935855897 /nfs/dbraw/zinc/85/58/97/935855897.db2.gz WODDKYUDROHKMX-UHFFFAOYSA-N 2 0 371.569 3.799 20 0 FHADRP Cc1ccc2cc(C[NH2+]CC3(O)CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000657497150 935874944 /nfs/dbraw/zinc/87/49/44/935874944.db2.gz UQNXYHUPBCNMOE-UHFFFAOYSA-N 2 0 363.505 3.593 20 0 FHADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)cc2cccnc21 ZINC000582633372 935896479 /nfs/dbraw/zinc/89/64/79/935896479.db2.gz PHOTUTRLOZZWLG-UHFFFAOYSA-N 2 0 362.949 3.594 20 0 FHADRP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161377168 935973016 /nfs/dbraw/zinc/97/30/16/935973016.db2.gz WMASTGYYOMXOQI-UHFFFAOYSA-N 2 0 358.526 3.838 20 0 FHADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000657536458 935974105 /nfs/dbraw/zinc/97/41/05/935974105.db2.gz JMLXSLKPCGQUOE-UHFFFAOYSA-N 2 0 357.325 3.974 20 0 FHADRP CC(C)COc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538039 935978137 /nfs/dbraw/zinc/97/81/37/935978137.db2.gz WPILQYOZTARPTG-UHFFFAOYSA-N 2 0 360.542 3.702 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000075007569 936003019 /nfs/dbraw/zinc/00/30/19/936003019.db2.gz RGODSXKGBTZNKA-UHFFFAOYSA-N 2 0 357.498 3.664 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000415007276 945143179 /nfs/dbraw/zinc/14/31/79/945143179.db2.gz RCDYTKHNAFMWLX-XXBNENTESA-N 2 0 367.512 3.777 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCCC4)s3)cc2)C1 ZINC000657597273 936072833 /nfs/dbraw/zinc/07/28/33/936072833.db2.gz RZQNWIWLIAPNBO-IBGZPJMESA-N 2 0 371.550 3.657 20 0 FHADRP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597017 936073010 /nfs/dbraw/zinc/07/30/10/936073010.db2.gz QQRZXRRDWBUIRX-LJQANCHMSA-N 2 0 358.913 3.759 20 0 FHADRP CC(C)Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596735 936079780 /nfs/dbraw/zinc/07/97/80/936079780.db2.gz YHUFRJLLVIGJJX-QHCPKHFHSA-N 2 0 352.522 3.742 20 0 FHADRP FC(F)Oc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613329 936093252 /nfs/dbraw/zinc/09/32/52/936093252.db2.gz YPBCBPLWDCHLRK-UHFFFAOYSA-N 2 0 361.436 3.685 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271513 936267552 /nfs/dbraw/zinc/26/75/52/936267552.db2.gz BWCKUHMUPNVYHD-MAUKXSAKSA-N 2 0 356.457 3.782 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271509 936267604 /nfs/dbraw/zinc/26/76/04/936267604.db2.gz BWCKUHMUPNVYHD-CRAIPNDOSA-N 2 0 356.457 3.782 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)C(C)C)cn2)CC1 ZINC000427621378 938250282 /nfs/dbraw/zinc/25/02/82/938250282.db2.gz NGEUDQIAMXWYDK-JOCHJYFZSA-N 2 0 366.553 3.580 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000150983759 938250363 /nfs/dbraw/zinc/25/03/63/938250363.db2.gz JSUGRZJLAOYCKX-SFHVURJKSA-N 2 0 367.990 3.883 20 0 FHADRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001280244664 945161041 /nfs/dbraw/zinc/16/10/41/945161041.db2.gz YORBWMURNKBPKI-LJQANCHMSA-N 2 0 365.606 3.715 20 0 FHADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150987270 938252982 /nfs/dbraw/zinc/25/29/82/938252982.db2.gz DRQVQLFYXRBMAQ-INIZCTEOSA-N 2 0 372.582 3.795 20 0 FHADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000150999118 938259760 /nfs/dbraw/zinc/25/97/60/938259760.db2.gz IBOZMZHPEKBIJN-GOSISDBHSA-N 2 0 368.363 3.516 20 0 FHADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)c1C ZINC000635006618 938279767 /nfs/dbraw/zinc/27/97/67/938279767.db2.gz MBIMQJZJHLWRTL-PXNSSMCTSA-N 2 0 353.510 3.570 20 0 FHADRP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705484 938283130 /nfs/dbraw/zinc/28/31/30/938283130.db2.gz JFEORRLQTSGXOM-VWPQPMDRSA-N 2 0 360.542 3.830 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706126 938285345 /nfs/dbraw/zinc/28/53/45/938285345.db2.gz DRCFECWOAAZQDI-XGWLTEMNSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)C1 ZINC000650705947 938286941 /nfs/dbraw/zinc/28/69/41/938286941.db2.gz AVAUKSGFCKNGSA-OGHNNQOOSA-N 2 0 374.859 3.660 20 0 FHADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707852 938287596 /nfs/dbraw/zinc/28/75/96/938287596.db2.gz OEHWSBWNNURDAN-QEORTHHSSA-N 2 0 373.324 3.720 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707973 938287789 /nfs/dbraw/zinc/28/77/89/938287789.db2.gz RAORBGYOMHNWHY-IAOVAPTHSA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000650707433 938289490 /nfs/dbraw/zinc/28/94/90/938289490.db2.gz GCWUBKWUFUJZQN-SPYBWZPUSA-N 2 0 354.897 3.630 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OCc1ccncc1 ZINC000650711912 938296198 /nfs/dbraw/zinc/29/61/98/938296198.db2.gz ITYDUQONTBQLFF-XLIONFOSSA-N 2 0 369.509 3.619 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000650711977 938296390 /nfs/dbraw/zinc/29/63/90/938296390.db2.gz LHINLLMVKAKQQM-UKRRQHHQSA-N 2 0 360.420 3.586 20 0 FHADRP Cc1cc(Br)cc(C[NH2+]CCC2(C[NH3+])CC2)c1OC(F)F ZINC000650713009 938298782 /nfs/dbraw/zinc/29/87/82/938298782.db2.gz BNJFRNWUNHXBPH-UHFFFAOYSA-N 2 0 363.246 3.578 20 0 FHADRP [NH3+]CC1(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000650712966 938298910 /nfs/dbraw/zinc/29/89/10/938298910.db2.gz AGDKYUNBEGKFDG-UHFFFAOYSA-N 2 0 366.328 3.791 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722648 938309772 /nfs/dbraw/zinc/30/97/72/938309772.db2.gz YORVMGLBBIDULB-QRQLOZEOSA-N 2 0 357.523 3.671 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cs2)cc1 ZINC000650722981 938310089 /nfs/dbraw/zinc/31/00/89/938310089.db2.gz FPFPQNFAYLLHKY-SXLOBPIMSA-N 2 0 371.550 3.979 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723394 938310660 /nfs/dbraw/zinc/31/06/60/938310660.db2.gz NHVMIVMVIIALSK-BHIYHBOVSA-N 2 0 357.523 3.671 20 0 FHADRP CC(C)n1cncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774371 938317141 /nfs/dbraw/zinc/31/71/41/938317141.db2.gz YMMALJADCLJMBN-FQEVSTJZSA-N 2 0 352.526 3.856 20 0 FHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000151095441 938350984 /nfs/dbraw/zinc/35/09/84/938350984.db2.gz RNJGNOGGRDVVOB-KBPBESRZSA-N 2 0 355.320 3.840 20 0 FHADRP COc1cccc(C2([NH2+]Cc3ccc(OCC[NH+](C)C)cc3)CCC2)c1 ZINC000657782031 938358769 /nfs/dbraw/zinc/35/87/69/938358769.db2.gz KUDQTOKTWLUTMJ-UHFFFAOYSA-N 2 0 354.494 3.805 20 0 FHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000650743729 938368341 /nfs/dbraw/zinc/36/83/41/938368341.db2.gz ZKQYMBFLVKLFBD-JTQLQIEISA-N 2 0 350.356 3.669 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000583759690 938394099 /nfs/dbraw/zinc/39/40/99/938394099.db2.gz VDWPFEZLMLIFLL-GUDVDZBRSA-N 2 0 355.530 3.676 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000583759689 938394113 /nfs/dbraw/zinc/39/41/13/938394113.db2.gz VDWPFEZLMLIFLL-CEXWTWQISA-N 2 0 355.530 3.676 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1CC[NH2+]CC1 ZINC000246743452 938396933 /nfs/dbraw/zinc/39/69/33/938396933.db2.gz ZHJPFVVZHGGCBN-OALUTQOASA-N 2 0 371.569 3.703 20 0 FHADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000583812246 938423723 /nfs/dbraw/zinc/42/37/23/938423723.db2.gz ZOPDTLRGWNWZGE-HRTMPFAESA-N 3 0 355.570 3.894 20 0 FHADRP Cc1csc(N2CCC([NH2+]CCCC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000157858516 938443668 /nfs/dbraw/zinc/44/36/68/938443668.db2.gz ZLCHILOXXUWVHN-KRWDZBQOSA-N 2 0 350.576 3.665 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCS2 ZINC000650764324 938451013 /nfs/dbraw/zinc/45/10/13/938451013.db2.gz WERWERYHYCKZBV-HNNXBMFYSA-N 2 0 355.345 3.965 20 0 FHADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000650764238 938451023 /nfs/dbraw/zinc/45/10/23/938451023.db2.gz UDCBDYAQIPYGAR-LLVKDONJSA-N 2 0 364.383 3.930 20 0 FHADRP Cc1csc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000157917581 938453505 /nfs/dbraw/zinc/45/35/05/938453505.db2.gz KXADCTUDTRCZCF-INIZCTEOSA-N 2 0 350.576 3.522 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H]2CCC[C@H]21 ZINC000583887957 938467984 /nfs/dbraw/zinc/46/79/84/938467984.db2.gz LGGCIYBGQODDCQ-OPGCRTJHSA-N 2 0 351.897 3.520 20 0 FHADRP c1cc(COc2ccc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC000657812999 938523202 /nfs/dbraw/zinc/52/32/02/938523202.db2.gz YOYOAMQBOBLZJY-UHFFFAOYSA-N 2 0 365.521 3.872 20 0 FHADRP C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccnc1Cl ZINC000132664010 938534670 /nfs/dbraw/zinc/53/46/70/938534670.db2.gz QHPLEQLZDFECCP-HNNXBMFYSA-N 2 0 359.901 3.543 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151392841 938538899 /nfs/dbraw/zinc/53/88/99/938538899.db2.gz FYAHCVKGJVWFDI-PZJWPPBQSA-N 2 0 362.583 3.789 20 0 FHADRP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000657833547 938627562 /nfs/dbraw/zinc/62/75/62/938627562.db2.gz AQLGNUVULCIYDP-NHCUHLMSSA-N 2 0 359.602 3.994 20 0 FHADRP COc1cc2ccc([C@@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834009 938635420 /nfs/dbraw/zinc/63/54/20/938635420.db2.gz IDEAODIIRRYNEZ-HZPDHXFCSA-N 2 0 354.494 3.992 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000584207416 938641092 /nfs/dbraw/zinc/64/10/92/938641092.db2.gz NZCBVEWCKKVZKV-QGZVFWFLSA-N 2 0 360.546 3.943 20 0 FHADRP COc1cc2[nH+]ccc(N3CCC(C[N@H+](C)C(C)C)CC3)c2cc1OC ZINC000584218890 938646942 /nfs/dbraw/zinc/64/69/42/938646942.db2.gz WRDRONQKUMEYSY-UHFFFAOYSA-N 2 0 357.498 3.809 20 0 FHADRP O=C(c1ccco1)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000159252548 938648418 /nfs/dbraw/zinc/64/84/18/938648418.db2.gz VJDMYUDZYWLORM-HXUWFJFHSA-N 2 0 373.541 3.519 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000708539713 938814345 /nfs/dbraw/zinc/81/43/45/938814345.db2.gz DXUNRKPWMBQXSR-OXJNMPFZSA-N 2 0 364.493 3.836 20 0 FHADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000545589784 945206680 /nfs/dbraw/zinc/20/66/80/945206680.db2.gz DBRTWWXEGNDRSJ-MJGOQNOKSA-N 2 0 350.522 3.971 20 0 FHADRP CC(C)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091320521 938900161 /nfs/dbraw/zinc/90/01/61/938900161.db2.gz XUQHLQSRGNSUGF-APWZRJJASA-N 2 0 371.491 3.876 20 0 FHADRP C[N@H+](CCN1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000093104945 938925986 /nfs/dbraw/zinc/92/59/86/938925986.db2.gz RVPHMQDTJPCSFV-DNQXCXABSA-N 2 0 363.549 3.540 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000093844558 938930762 /nfs/dbraw/zinc/93/07/62/938930762.db2.gz WZJVLVWZOVHTCI-MRXNPFEDSA-N 2 0 350.576 3.686 20 0 FHADRP O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000117602710 938934006 /nfs/dbraw/zinc/93/40/06/938934006.db2.gz NUVXLSYUMCDVLS-CYBMUJFWSA-N 2 0 370.324 3.644 20 0 FHADRP C[C@H]([NH2+][C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657869412 938938318 /nfs/dbraw/zinc/93/83/18/938938318.db2.gz WACGLWQSSDONBP-OXJNMPFZSA-N 2 0 374.479 3.659 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657869955 938944118 /nfs/dbraw/zinc/94/41/18/938944118.db2.gz AXAFUTGYQNALMZ-SJLPKXTDSA-N 2 0 365.562 3.904 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000657871969 938958107 /nfs/dbraw/zinc/95/81/07/938958107.db2.gz LMUBZEUWNGMVAK-LJQANCHMSA-N 2 0 371.491 3.644 20 0 FHADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506021719 945220050 /nfs/dbraw/zinc/22/00/50/945220050.db2.gz HIXCNBSWFLGEAJ-INIZCTEOSA-N 2 0 352.469 3.850 20 0 FHADRP C[C@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)CN1CC[NH+](C)CC1 ZINC000443979246 938979911 /nfs/dbraw/zinc/97/99/11/938979911.db2.gz KEKKNYIZYMHDDQ-GOSISDBHSA-N 2 0 371.500 3.591 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc2cnccc2o1 ZINC000657901735 938993276 /nfs/dbraw/zinc/99/32/76/938993276.db2.gz UVTPGWQOKQWPAJ-INIZCTEOSA-N 2 0 365.477 3.635 20 0 FHADRP CCCO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093317760 938993513 /nfs/dbraw/zinc/99/35/13/938993513.db2.gz PBJSGDVWKBJQPA-OAQYLSRUSA-N 2 0 360.542 3.942 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000657924627 939007596 /nfs/dbraw/zinc/00/75/96/939007596.db2.gz CXCMRKUSWXTBDI-HOJAQTOUSA-N 2 0 350.934 3.629 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1O ZINC000685646315 939008066 /nfs/dbraw/zinc/00/80/66/939008066.db2.gz MTXCOXNCUOPFOI-IEBWSBKVSA-N 2 0 354.494 3.964 20 0 FHADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000431618179 939008289 /nfs/dbraw/zinc/00/82/89/939008289.db2.gz CFZZNWMAOVUFQQ-QFIPXVFZSA-N 2 0 369.553 3.518 20 0 FHADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C(C)C)cc1 ZINC000658066595 939021525 /nfs/dbraw/zinc/02/15/25/939021525.db2.gz CHBSYFOLEPQOFZ-JOCHJYFZSA-N 2 0 360.542 3.873 20 0 FHADRP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658068227 939021731 /nfs/dbraw/zinc/02/17/31/939021731.db2.gz VGYWVHXCCMKVMC-NFBKMPQASA-N 2 0 372.553 3.635 20 0 FHADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069791 939021784 /nfs/dbraw/zinc/02/17/84/939021784.db2.gz IDTMPWAGOSPJBJ-FCHUYYIVSA-N 2 0 372.553 3.713 20 0 FHADRP COC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000658071851 939021929 /nfs/dbraw/zinc/02/19/29/939021929.db2.gz ZTDXOBBNNITVMI-FQEVSTJZSA-N 2 0 366.933 3.508 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142249 939035887 /nfs/dbraw/zinc/03/58/87/939035887.db2.gz VGEYXMIBRUAXHA-LAUBAEHRSA-N 2 0 356.897 3.684 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)cc2)C1 ZINC000658137827 939040564 /nfs/dbraw/zinc/04/05/64/939040564.db2.gz IMUZXFQVSQXJDK-AZUAARDMSA-N 2 0 372.509 3.719 20 0 FHADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C[C@H]1c1ccccc1 ZINC000658138056 939040762 /nfs/dbraw/zinc/04/07/62/939040762.db2.gz MKLJYORGODUKBW-AIZKBTNYSA-N 2 0 350.506 3.535 20 0 FHADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658139509 939042914 /nfs/dbraw/zinc/04/29/14/939042914.db2.gz MHYLCLICLZYMRX-JXFKEZNVSA-N 2 0 356.535 3.826 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139550 939042988 /nfs/dbraw/zinc/04/29/88/939042988.db2.gz MZGHPBGPDPLBCK-DNVCBOLYSA-N 2 0 367.518 3.714 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC(c4cccc(Cl)c4)C3)cc2)C1 ZINC000658140470 939044127 /nfs/dbraw/zinc/04/41/27/939044127.db2.gz ULGHNSSLVQOSDJ-KITAHSCOSA-N 2 0 370.924 3.942 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000658162227 939052355 /nfs/dbraw/zinc/05/23/55/939052355.db2.gz CRJFYTLSPAHEOV-GOSISDBHSA-N 2 0 353.510 3.961 20 0 FHADRP c1ccc(COC2CC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000658167257 939054932 /nfs/dbraw/zinc/05/49/32/939054932.db2.gz REKAZPKDMBQMJG-UHFFFAOYSA-N 2 0 365.521 3.631 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1N(C)C ZINC000658168353 939055751 /nfs/dbraw/zinc/05/57/51/939055751.db2.gz WFQNQMRXJWDOJS-GOSISDBHSA-N 2 0 352.526 3.710 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000658254305 939090141 /nfs/dbraw/zinc/09/01/41/939090141.db2.gz PGHWRZYYZFJILT-HAGHYFMRSA-N 2 0 366.590 3.839 20 0 FHADRP CNC(=O)CC1(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCCCC1 ZINC000658304699 939095774 /nfs/dbraw/zinc/09/57/74/939095774.db2.gz HFWKFVABKNOSKT-ICSRJNTNSA-N 2 0 363.590 3.706 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307997 939097838 /nfs/dbraw/zinc/09/78/38/939097838.db2.gz NVDHXVXVWAIEOJ-TZIWHRDSSA-N 2 0 371.569 3.573 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658313242 939108022 /nfs/dbraw/zinc/10/80/22/939108022.db2.gz LHRFELKZGRDQAU-BBHUYCHWSA-N 2 0 374.569 3.587 20 0 FHADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320126 939110821 /nfs/dbraw/zinc/11/08/21/939110821.db2.gz NAPAWWYTTMROSU-XLIONFOSSA-N 2 0 352.526 3.681 20 0 FHADRP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H](C)C1 ZINC000658319480 939111546 /nfs/dbraw/zinc/11/15/46/939111546.db2.gz CDJCTIMHOLKLDK-FCEUIQTBSA-N 2 0 355.570 3.609 20 0 FHADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319790 939111654 /nfs/dbraw/zinc/11/16/54/939111654.db2.gz IVRRUHQRQAIIGS-TZIWHRDSSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000658337912 939115901 /nfs/dbraw/zinc/11/59/01/939115901.db2.gz AUKQLFZDPNVWHZ-ROKPMTFOSA-N 2 0 366.549 3.836 20 0 FHADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000658344537 939120435 /nfs/dbraw/zinc/12/04/35/939120435.db2.gz QUDYFATZCBJMMH-WOJBJXKFSA-N 2 0 357.542 3.580 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ncc(-c2ccccc2)n1C ZINC000658352368 939123795 /nfs/dbraw/zinc/12/37/95/939123795.db2.gz FQHNTIDUIGFEHK-QGZVFWFLSA-N 2 0 352.526 3.860 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000658357565 939126271 /nfs/dbraw/zinc/12/62/71/939126271.db2.gz UIDWMTHEYILQTH-GOSISDBHSA-N 2 0 352.526 3.704 20 0 FHADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367533 939141005 /nfs/dbraw/zinc/14/10/05/939141005.db2.gz ICADYVIOJLCNGN-UXHICEINSA-N 2 0 354.494 3.573 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cl ZINC000507444421 945238548 /nfs/dbraw/zinc/23/85/48/945238548.db2.gz PBMFBVGXQIVIET-OAHLLOKOSA-N 2 0 351.922 3.687 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000507448943 945243178 /nfs/dbraw/zinc/24/31/78/945243178.db2.gz MASOTVWWKXUSQO-AWEZNQCLSA-N 2 0 361.921 3.612 20 0 FHADRP CSC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC[NH+](C)CC1 ZINC000516819929 945260655 /nfs/dbraw/zinc/26/06/55/945260655.db2.gz KTGLUPGRZZAAPG-IBGZPJMESA-N 2 0 360.567 3.806 20 0 FHADRP CCC(CC)(CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000427315764 945265671 /nfs/dbraw/zinc/26/56/71/945265671.db2.gz PEHPZPJAGFEWSY-OALUTQOASA-N 2 0 359.558 3.792 20 0 FHADRP OCC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507516767 945279810 /nfs/dbraw/zinc/27/98/10/945279810.db2.gz WTAMVSVSRMOMCC-WBADGQHESA-N 2 0 350.506 3.610 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000507517238 945280236 /nfs/dbraw/zinc/28/02/36/945280236.db2.gz YVZSLEAQFHGSDK-XAPVIXHLSA-N 2 0 374.569 3.600 20 0 FHADRP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000310516256 939904912 /nfs/dbraw/zinc/90/49/12/939904912.db2.gz ZPHVGYWPPIMJHS-ZWKOTPCHSA-N 2 0 355.567 3.876 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000179883672 940084882 /nfs/dbraw/zinc/08/48/82/940084882.db2.gz QAJZTFGBVSMOLE-MJGOQNOKSA-N 2 0 367.578 3.686 20 0 FHADRP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000177340550 940126385 /nfs/dbraw/zinc/12/63/85/940126385.db2.gz IVTZGVGATYUKPJ-HXUWFJFHSA-N 2 0 373.541 3.640 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCCC5)[C@H]3C2)cc1 ZINC000507519942 945299078 /nfs/dbraw/zinc/29/90/78/945299078.db2.gz LQGVXYUROCZODA-CBZNWHGESA-N 2 0 366.549 3.834 20 0 FHADRP C[NH+](C)C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507526210 945303294 /nfs/dbraw/zinc/30/32/94/945303294.db2.gz LKWNBYIRLRAFQE-KEZOAJOQSA-N 2 0 363.549 3.790 20 0 FHADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000177550521 940266758 /nfs/dbraw/zinc/26/67/58/940266758.db2.gz ZXANTLHBBYNLKD-UHFFFAOYSA-N 2 0 353.551 3.532 20 0 FHADRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135135 945313037 /nfs/dbraw/zinc/31/30/37/945313037.db2.gz HLDKDVAXFZJERA-SFHVURJKSA-N 2 0 364.530 3.875 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)C1 ZINC000685840048 940430510 /nfs/dbraw/zinc/43/05/10/940430510.db2.gz IQKNDFRFJUYNTI-IAGOWNOFSA-N 2 0 363.509 3.677 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)C1 ZINC000685840049 940430570 /nfs/dbraw/zinc/43/05/70/940430570.db2.gz IQKNDFRFJUYNTI-IRXDYDNUSA-N 2 0 363.509 3.677 20 0 FHADRP C[N@H+](CCc1ccc(C(C)(C)C)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685847991 940455937 /nfs/dbraw/zinc/45/59/37/940455937.db2.gz ICDGTVQDBUQAGM-QFIPXVFZSA-N 2 0 357.586 3.627 20 0 FHADRP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924566187 940461902 /nfs/dbraw/zinc/46/19/02/940461902.db2.gz VOCIVANQAFYIFM-HNNXBMFYSA-N 2 0 358.482 3.625 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685850986 940464475 /nfs/dbraw/zinc/46/44/75/940464475.db2.gz XUHWLZYZNGZOQQ-VXKWHMMOSA-N 2 0 370.537 3.695 20 0 FHADRP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000414064845 940473214 /nfs/dbraw/zinc/47/32/14/940473214.db2.gz FFSHIHWRAHNICP-LMNJBCLMSA-N 2 0 363.977 3.839 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000414073680 940481782 /nfs/dbraw/zinc/48/17/82/940481782.db2.gz NHTAHDDKKQWDKB-IBGZPJMESA-N 2 0 367.537 3.602 20 0 FHADRP C[NH+](C)[C@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000431763412 940482427 /nfs/dbraw/zinc/48/24/27/940482427.db2.gz AZYAXSDSWKHVHJ-JOCHJYFZSA-N 2 0 371.569 3.794 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000431763413 940482498 /nfs/dbraw/zinc/48/24/98/940482498.db2.gz AZYAXSDSWKHVHJ-QFIPXVFZSA-N 2 0 371.569 3.794 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122362 940618949 /nfs/dbraw/zinc/61/89/49/940618949.db2.gz NWHUSYSQSFIEIR-FPOVZHCZSA-N 2 0 363.977 3.983 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414130794 940643931 /nfs/dbraw/zinc/64/39/31/940643931.db2.gz WWHXHZHRKCPOGR-SXLOBPIMSA-N 2 0 350.934 3.803 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000519360241 945337328 /nfs/dbraw/zinc/33/73/28/945337328.db2.gz TZCXBALEJKYICA-RTBURBONSA-N 2 0 359.558 3.911 20 0 FHADRP CC(C)C[NH+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)C ZINC000613400518 940670474 /nfs/dbraw/zinc/67/04/74/940670474.db2.gz XBMXNADMNUTNSM-UHFFFAOYSA-N 2 0 359.558 3.513 20 0 FHADRP CC(C)(CO)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000660638599 945342537 /nfs/dbraw/zinc/34/25/37/945342537.db2.gz NHLASCVGXJCQBS-JOCHJYFZSA-N 2 0 367.537 3.917 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCN2CCOCC2)cc1 ZINC000170694507 940782698 /nfs/dbraw/zinc/78/26/98/940782698.db2.gz LNGBTKMLGGECTP-LJQANCHMSA-N 2 0 373.541 3.502 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000414218682 940790570 /nfs/dbraw/zinc/79/05/70/940790570.db2.gz GJWZEIHEMLZNLL-USCONSEESA-N 2 0 354.494 3.590 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221433 940791916 /nfs/dbraw/zinc/79/19/16/940791916.db2.gz KWWXSFIBFFHUSS-TYFWRSTJSA-N 2 0 350.506 3.799 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000892567617 940798513 /nfs/dbraw/zinc/79/85/13/940798513.db2.gz DOFWBRAMHDRULV-KRWDZBQOSA-N 2 0 351.494 3.931 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892579931 940826599 /nfs/dbraw/zinc/82/65/99/940826599.db2.gz DCQKPZSMOTYQBU-KRWDZBQOSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@@H]1[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000414307629 940934440 /nfs/dbraw/zinc/93/44/40/940934440.db2.gz PLHXJHBWBXJRCJ-AJSBUHFISA-N 2 0 364.533 3.795 20 0 FHADRP OC1(C[NH2+][C@@H]2CCCNc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414314426 940948688 /nfs/dbraw/zinc/94/86/88/940948688.db2.gz ZUUDTGRFOMAZMA-JOCHJYFZSA-N 2 0 365.521 3.550 20 0 FHADRP [NH3+]CC1CCC([NH2+]CCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000423026411 940949606 /nfs/dbraw/zinc/94/96/06/940949606.db2.gz BCCGWZDWZYBUJB-UHFFFAOYSA-N 2 0 350.304 3.580 20 0 FHADRP CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322914 940969891 /nfs/dbraw/zinc/96/98/91/940969891.db2.gz HWBFOJXREGAOJQ-RBBKRZOGSA-N 2 0 371.569 3.832 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134310754 941005290 /nfs/dbraw/zinc/00/52/90/941005290.db2.gz LHRLPILCHBKPSX-QGZVFWFLSA-N 2 0 356.341 3.596 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCC[C@H]1C ZINC000414340832 941006202 /nfs/dbraw/zinc/00/62/02/941006202.db2.gz NCICMGYYMFHAGZ-JBYIUTFZSA-N 2 0 371.569 3.688 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H](C)C1 ZINC000414343796 941013931 /nfs/dbraw/zinc/01/39/31/941013931.db2.gz RBQRLBHKLLFCJL-QTPAZIJBSA-N 2 0 360.542 3.525 20 0 FHADRP CCc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000414349514 941020456 /nfs/dbraw/zinc/02/04/56/941020456.db2.gz YENUGCNVVXAQTB-UHFFFAOYSA-N 2 0 358.917 3.694 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379167 941062491 /nfs/dbraw/zinc/06/24/91/941062491.db2.gz IKQGZNIGVUNNSR-KSSFIOAISA-N 2 0 370.368 3.844 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544016 941065825 /nfs/dbraw/zinc/06/58/25/941065825.db2.gz VOOQMCSRTQRRIG-JKSUJKDBSA-N 2 0 367.331 3.669 20 0 FHADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889199 941067035 /nfs/dbraw/zinc/06/70/35/941067035.db2.gz VXGPHILURDWPKS-CTNGQTDRSA-N 2 0 363.590 3.754 20 0 FHADRP c1ccc(COCc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000647549201 941070973 /nfs/dbraw/zinc/07/09/73/941070973.db2.gz MZRJEUGDFDZKTQ-RJGXRXQPSA-N 2 0 350.506 3.881 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)C1CC1 ZINC000511508561 941073980 /nfs/dbraw/zinc/07/39/80/941073980.db2.gz VJRVBIZQWGTWDA-UHFFFAOYSA-N 2 0 357.542 3.710 20 0 FHADRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000177482630 941128882 /nfs/dbraw/zinc/12/88/82/941128882.db2.gz GZJURFATXHWSBP-IRXDYDNUSA-N 2 0 357.498 3.539 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1)C1CC1 ZINC000511512935 941146226 /nfs/dbraw/zinc/14/62/26/941146226.db2.gz NGBYNOJGJRMDKO-QFIPXVFZSA-N 2 0 365.521 3.704 20 0 FHADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000311255390 941151893 /nfs/dbraw/zinc/15/18/93/941151893.db2.gz DAZVIOSFUCFKHJ-IPMKNSEASA-N 2 0 367.578 3.876 20 0 FHADRP [NH3+]C[C@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccc2ccccc2c1 ZINC000659308500 941157129 /nfs/dbraw/zinc/15/71/29/941157129.db2.gz UOCCSDGBXDMHRP-GGAORHGYSA-N 2 0 373.500 3.648 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503767 941315189 /nfs/dbraw/zinc/31/51/89/941315189.db2.gz FTPKQWWUFBYDCN-RXVVDRJESA-N 2 0 352.522 3.914 20 0 FHADRP C[C@]1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000311568144 941332364 /nfs/dbraw/zinc/33/23/64/941332364.db2.gz ZLNHYWAXNXHAMV-LJQANCHMSA-N 2 0 369.475 3.515 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1OCC(F)(F)F ZINC000415022738 941546781 /nfs/dbraw/zinc/54/67/81/941546781.db2.gz JIGACSCCRRVXNY-SHTZXODSSA-N 2 0 374.447 3.881 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025683 941549300 /nfs/dbraw/zinc/54/93/00/941549300.db2.gz QTACKIREHFFWDG-KKUMJFAQSA-N 2 0 371.447 3.777 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415030750 941554881 /nfs/dbraw/zinc/55/48/81/941554881.db2.gz GEOPUJGPTWVYHT-LPHOPBHVSA-N 2 0 358.457 3.630 20 0 FHADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041635 941561494 /nfs/dbraw/zinc/56/14/94/941561494.db2.gz LNLBRTAGGFJQQY-CVEARBPZSA-N 2 0 372.431 3.600 20 0 FHADRP COc1ccc(C2CCC([NH2+]C3CCC([NH+]4CCNCC4)CC3)CC2)cc1 ZINC000415046670 941564418 /nfs/dbraw/zinc/56/44/18/941564418.db2.gz DBIVGJZWKVHBIV-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000415052123 941567463 /nfs/dbraw/zinc/56/74/63/941567463.db2.gz HRQUKGQRSPHREO-SJKOYZFVSA-N 2 0 352.404 3.512 20 0 FHADRP c1ccc([C@H]2CCCC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415057665 941571063 /nfs/dbraw/zinc/57/10/63/941571063.db2.gz RZLAFDANUOAQBD-HNBJWRTHSA-N 2 0 355.570 3.909 20 0 FHADRP CSc1cc2c(cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1)OCCO2 ZINC000415052811 941572004 /nfs/dbraw/zinc/57/20/04/941572004.db2.gz LKZHCOJJYKJRNH-QGZVFWFLSA-N 2 0 358.507 3.750 20 0 FHADRP O=C1[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078818 941591112 /nfs/dbraw/zinc/59/11/12/941591112.db2.gz HBJROFOLQQNBCU-QXAKKESOSA-N 2 0 369.896 3.528 20 0 FHADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccncc1 ZINC000415082243 941592512 /nfs/dbraw/zinc/59/25/12/941592512.db2.gz CWTMTGNEAZYIRX-LNLFQRSKSA-N 2 0 369.509 3.708 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]1 ZINC000415082655 941593475 /nfs/dbraw/zinc/59/34/75/941593475.db2.gz DMQSJMDZHJWCBY-HZPDHXFCSA-N 2 0 370.459 3.731 20 0 FHADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1Cl ZINC000415082858 941593590 /nfs/dbraw/zinc/59/35/90/941593590.db2.gz MMWPVRCJNKVTDZ-OAHLLOKOSA-N 2 0 356.341 3.690 20 0 FHADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415088461 941597065 /nfs/dbraw/zinc/59/70/65/941597065.db2.gz MAYUEOIRUZAIPO-MAUKXSAKSA-N 2 0 370.459 3.874 20 0 FHADRP C[C@@H](CC[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415126304 941615497 /nfs/dbraw/zinc/61/54/97/941615497.db2.gz GJOIZYHNHBZWGL-FQEVSTJZSA-N 2 0 351.538 3.763 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415127416 941615962 /nfs/dbraw/zinc/61/59/62/941615962.db2.gz MXRBMQOPPDENNR-UNMCSNQZSA-N 2 0 354.494 3.567 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2c1 ZINC000415119925 941617300 /nfs/dbraw/zinc/61/73/00/941617300.db2.gz FVXGXLLRXYFGCR-UNMCSNQZSA-N 2 0 354.494 3.567 20 0 FHADRP CCCOc1cccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415123151 941618697 /nfs/dbraw/zinc/61/86/97/941618697.db2.gz ACSTVBAGQVOYLZ-UHFFFAOYSA-N 2 0 367.537 3.559 20 0 FHADRP NC1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415124851 941620562 /nfs/dbraw/zinc/62/05/62/941620562.db2.gz CTPCILXWVRTFJV-UHFFFAOYSA-N 2 0 369.475 3.691 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)C1 ZINC000415128619 941622745 /nfs/dbraw/zinc/62/27/45/941622745.db2.gz SOOBBAMDHJEXPS-PBHICJAKSA-N 2 0 374.859 3.660 20 0 FHADRP CCC[C@@H](Cc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415133510 941625086 /nfs/dbraw/zinc/62/50/86/941625086.db2.gz NDHZPGYVTUGYOX-QHCPKHFHSA-N 2 0 365.565 3.981 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc2c1 ZINC000415131969 941625242 /nfs/dbraw/zinc/62/52/42/941625242.db2.gz SWHFLAQHHHHDHC-FCHUYYIVSA-N 2 0 354.494 3.567 20 0 FHADRP C[C@H](CCc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137354 941626426 /nfs/dbraw/zinc/62/64/26/941626426.db2.gz SZQFOWSCBVTHQT-HXUWFJFHSA-N 2 0 351.538 3.591 20 0 FHADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc21 ZINC000549236902 941689573 /nfs/dbraw/zinc/68/95/73/941689573.db2.gz HRIDIFJBUIYJCV-PMACEKPBSA-N 2 0 358.526 3.880 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)NC(C)(C)CCC[NH3+])c2)CC1 ZINC000415394847 941801906 /nfs/dbraw/zinc/80/19/06/941801906.db2.gz RDQUDMCQIHFHGV-UHFFFAOYSA-N 2 0 360.546 3.600 20 0 FHADRP CN(Cc1ccccc1)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644625900 941865578 /nfs/dbraw/zinc/86/55/78/941865578.db2.gz WKKUINRQKMIUEW-NRFANRHFSA-N 2 0 369.484 3.655 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4C)o3)C2)CC1 ZINC000093132983 941873140 /nfs/dbraw/zinc/87/31/40/941873140.db2.gz BIWYSNHQYCSTLN-IBGZPJMESA-N 2 0 371.500 3.606 20 0 FHADRP CCc1ccc([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392884 941888575 /nfs/dbraw/zinc/88/85/75/941888575.db2.gz ZFSODDRAQKLJME-HSZRJFAPSA-N 2 0 357.586 3.845 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)c1csc(CC[NH3+])n1)C1CCCCC1 ZINC000262370099 941890159 /nfs/dbraw/zinc/89/01/59/941890159.db2.gz LVFLFMVPTAUQMJ-UHFFFAOYSA-N 2 0 372.538 3.661 20 0 FHADRP C/C(=C\c1ccccc1)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000513449891 941937230 /nfs/dbraw/zinc/93/72/30/941937230.db2.gz BOKDQPGNGDILST-ZBJSNUHESA-N 2 0 363.549 3.840 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)o1 ZINC000377761120 941967009 /nfs/dbraw/zinc/96/70/09/941967009.db2.gz LGWNIPJPNHSPIW-DYESRHJHSA-N 2 0 350.466 3.761 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000513544485 942004139 /nfs/dbraw/zinc/00/41/39/942004139.db2.gz IOXUPHQFTHBTRR-UHFFFAOYSA-N 2 0 364.839 3.684 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000513627713 942053233 /nfs/dbraw/zinc/05/32/33/942053233.db2.gz XSTLQRDLPAVILM-FCHUYYIVSA-N 2 0 365.521 3.704 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513652496 942056318 /nfs/dbraw/zinc/05/63/18/942056318.db2.gz ASSZPRTVQULMKO-NJYVYQBISA-N 2 0 352.526 3.958 20 0 FHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893114143 942063211 /nfs/dbraw/zinc/06/32/11/942063211.db2.gz RXVMNHCBVYRMRB-VECJGYGSSA-N 2 0 364.480 3.568 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513666250 942064535 /nfs/dbraw/zinc/06/45/35/942064535.db2.gz KIEQPVNQNBRHBU-VSKRKVRLSA-N 2 0 352.526 3.576 20 0 FHADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000651184987 942082338 /nfs/dbraw/zinc/08/23/38/942082338.db2.gz SHZQQOGULCCTEO-GOSISDBHSA-N 2 0 368.525 3.551 20 0 FHADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C12CCC2 ZINC000925509145 942095621 /nfs/dbraw/zinc/09/56/21/942095621.db2.gz VGVCNAMESVYQKF-DLBZAZTESA-N 2 0 368.443 3.613 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415881229 942105728 /nfs/dbraw/zinc/10/57/28/942105728.db2.gz HUEFLNJCWWMZQO-NRFANRHFSA-N 2 0 366.509 3.537 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000415899340 942125113 /nfs/dbraw/zinc/12/51/13/942125113.db2.gz JNFOROXGQHVDMU-UZLBHIALSA-N 2 0 354.498 3.527 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000415917687 942143211 /nfs/dbraw/zinc/14/32/11/942143211.db2.gz JSBOZECTQHYROA-NRFANRHFSA-N 2 0 366.509 3.673 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000415912227 942145220 /nfs/dbraw/zinc/14/52/20/942145220.db2.gz BSJPBBPFBISMBJ-UHFFFAOYSA-N 2 0 368.525 3.958 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000415911905 942146334 /nfs/dbraw/zinc/14/63/34/942146334.db2.gz ZFJGOLLOPQBJLZ-HXUWFJFHSA-N 2 0 354.498 3.529 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000415912937 942147152 /nfs/dbraw/zinc/14/71/52/942147152.db2.gz NQPAMGXKLHWAEN-INIZCTEOSA-N 2 0 354.498 3.657 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415925700 942154795 /nfs/dbraw/zinc/15/47/95/942154795.db2.gz BLFWMZGKAYHNDS-OXQOHEQNSA-N 2 0 354.498 3.527 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000415934315 942159951 /nfs/dbraw/zinc/15/99/51/942159951.db2.gz PMZGQFZGOUAADJ-ROUUACIJSA-N 2 0 360.546 3.676 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000415934312 942159962 /nfs/dbraw/zinc/15/99/62/942159962.db2.gz PMZGQFZGOUAADJ-HDICACEKSA-N 2 0 360.546 3.676 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415935231 942162262 /nfs/dbraw/zinc/16/22/62/942162262.db2.gz RHOCVCJTHVESMH-DYESRHJHSA-N 2 0 366.509 3.753 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[NH+](CC)CC)c1 ZINC000415936266 942167167 /nfs/dbraw/zinc/16/71/67/942167167.db2.gz SSGOGLDVTUSLEC-UHFFFAOYSA-N 2 0 368.525 3.960 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000415940958 942171995 /nfs/dbraw/zinc/17/19/95/942171995.db2.gz FUUPOKOQWXLNHC-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415960814 942199718 /nfs/dbraw/zinc/19/97/18/942199718.db2.gz QMYOOFLDDHYKCI-UHFFFAOYSA-N 2 0 360.527 3.583 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000415962241 942201214 /nfs/dbraw/zinc/20/12/14/942201214.db2.gz WZBUBITXQQJAKQ-LJQANCHMSA-N 2 0 370.497 3.656 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000415961710 942201484 /nfs/dbraw/zinc/20/14/84/942201484.db2.gz WDTVCHLLWFZJOR-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697677 942204604 /nfs/dbraw/zinc/20/46/04/942204604.db2.gz QNEGVVZQRGFQNF-CMOCDZPBSA-N 2 0 364.537 3.547 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000415967295 942206626 /nfs/dbraw/zinc/20/66/26/942206626.db2.gz BCVSUMIZRCBLFF-DYESRHJHSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000415958769 942207873 /nfs/dbraw/zinc/20/78/73/942207873.db2.gz ROCBSAVNGVRVGF-GOSISDBHSA-N 2 0 358.486 3.594 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415972742 942210187 /nfs/dbraw/zinc/21/01/87/942210187.db2.gz ISTXBBRIOSYUHH-QGZVFWFLSA-N 2 0 358.530 3.654 20 0 FHADRP [NH3+]Cc1cc(NC(=O)NCCCCC[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000415970596 942217094 /nfs/dbraw/zinc/21/70/94/942217094.db2.gz LWCOBJNFHXBMBA-UHFFFAOYSA-N 2 0 372.435 3.552 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979377 942221624 /nfs/dbraw/zinc/22/16/24/942221624.db2.gz QRBFKPUVRDQUAS-KRWDZBQOSA-N 2 0 366.509 3.841 20 0 FHADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415983074 942222661 /nfs/dbraw/zinc/22/26/61/942222661.db2.gz YXCCBDBKUJYLJJ-DYESRHJHSA-N 2 0 366.509 3.662 20 0 FHADRP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000415981056 942225326 /nfs/dbraw/zinc/22/53/26/942225326.db2.gz UOTOMNUOWQZPBJ-FXAWDEMLSA-N 2 0 366.509 3.568 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C\c3ccc(Cl)cc3)CC2)CC1 ZINC000420983776 942281753 /nfs/dbraw/zinc/28/17/53/942281753.db2.gz ROUQTVWPNRZTGU-HYXAFXHYSA-N 2 0 361.961 3.845 20 0 FHADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc2C1 ZINC000501079942 942299098 /nfs/dbraw/zinc/29/90/98/942299098.db2.gz VNQVWWOEUUMXAK-HSZRJFAPSA-N 2 0 357.586 3.672 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)C[C@H](C)O1 ZINC000502273548 942324819 /nfs/dbraw/zinc/32/48/19/942324819.db2.gz KXGVBSAAUVTGQM-JQVVWYNYSA-N 2 0 372.553 3.735 20 0 FHADRP C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180221360 942338873 /nfs/dbraw/zinc/33/88/73/942338873.db2.gz XCDJYIQXHAMNPK-KNXWPPODSA-N 2 0 353.551 3.532 20 0 FHADRP CCN(C(C)=O)c1nc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cs1 ZINC000236813240 942379268 /nfs/dbraw/zinc/37/92/68/942379268.db2.gz ACTLBDVWTYRHDI-UHFFFAOYSA-N 2 0 374.554 3.646 20 0 FHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000502427007 942440538 /nfs/dbraw/zinc/44/05/38/942440538.db2.gz HTVKRQYSWWFJMJ-LJQANCHMSA-N 2 0 373.589 3.599 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000501392086 942445232 /nfs/dbraw/zinc/44/52/32/942445232.db2.gz YFEZMJLRYGDNMR-JQIJEIRASA-N 2 0 356.432 3.811 20 0 FHADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414823516 942445785 /nfs/dbraw/zinc/44/57/85/942445785.db2.gz DRKXYJSXXMBXFQ-MRXNPFEDSA-N 2 0 352.507 3.690 20 0 FHADRP Cc1nccn1C[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000513713754 942475545 /nfs/dbraw/zinc/47/55/45/942475545.db2.gz SQVMOHGKBVMRBD-OSFYOIPJSA-N 2 0 354.542 3.860 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000501491937 942500371 /nfs/dbraw/zinc/50/03/71/942500371.db2.gz PPLZFAGPQYJRHQ-ZUTYSQTGSA-N 2 0 370.459 3.935 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414832763 942506749 /nfs/dbraw/zinc/50/67/49/942506749.db2.gz OTRJVRUSJSBUAZ-IBGZPJMESA-N 2 0 360.505 3.937 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000421369802 942519790 /nfs/dbraw/zinc/51/97/90/942519790.db2.gz HTNFETWHIATGFC-UHFFFAOYSA-N 2 0 357.586 3.845 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000421370528 942521960 /nfs/dbraw/zinc/52/19/60/942521960.db2.gz JQXWMMVWARCYEQ-CTWPCTMYSA-N 2 0 366.933 3.860 20 0 FHADRP Clc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000513817426 942535239 /nfs/dbraw/zinc/53/52/39/942535239.db2.gz HMONUVNSUGOGKU-UHFFFAOYSA-N 2 0 373.928 3.823 20 0 FHADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513815939 942535303 /nfs/dbraw/zinc/53/53/03/942535303.db2.gz DXSBNTGWPNKGJZ-UHFFFAOYSA-N 2 0 369.509 3.584 20 0 FHADRP CC(C)[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000502564101 942545472 /nfs/dbraw/zinc/54/54/72/942545472.db2.gz TYJZMAPSQXLNML-UNMCSNQZSA-N 2 0 371.500 3.532 20 0 FHADRP CC[NH+](CC)CCCC1CCN(Cn2nc(N(C)C)sc2=S)CC1 ZINC000181458088 942550082 /nfs/dbraw/zinc/55/00/82/942550082.db2.gz PEMCMNUYHOKBAU-UHFFFAOYSA-N 2 0 371.620 3.532 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000513825099 942554788 /nfs/dbraw/zinc/55/47/88/942554788.db2.gz VZRZWQAUJSAMAO-PGRDOPGGSA-N 2 0 367.537 3.950 20 0 FHADRP CC1(c2ccccc2)CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414518923 942575241 /nfs/dbraw/zinc/57/52/41/942575241.db2.gz ADYBFZLRYOTQGY-UHFFFAOYSA-N 2 0 364.533 3.723 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420292599 942609002 /nfs/dbraw/zinc/60/90/02/942609002.db2.gz LTHMIKLSVRLYRF-QRWLVFNGSA-N 2 0 355.457 3.565 20 0 FHADRP CCn1ccnc1C[N@H+](CCCCC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000420311606 942615334 /nfs/dbraw/zinc/61/53/34/942615334.db2.gz NUCBVUYDSZWBQQ-HNNXBMFYSA-N 2 0 358.452 3.580 20 0 FHADRP COc1ccc([C@@H](C[NH3+])CN(C)Cc2csc(Br)c2)cc1 ZINC000420315340 942618188 /nfs/dbraw/zinc/61/81/88/942618188.db2.gz LSCSXDRFBIXQMR-AWEZNQCLSA-N 2 0 369.328 3.694 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340189 942623809 /nfs/dbraw/zinc/62/38/09/942623809.db2.gz MTDUBIPXOZSIRM-OTWHNJEPSA-N 2 0 357.542 3.767 20 0 FHADRP COc1cccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)c1 ZINC000420342111 942624764 /nfs/dbraw/zinc/62/47/64/942624764.db2.gz WLEDHTPMSGVIAF-LJQANCHMSA-N 2 0 357.523 3.783 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332005 942631268 /nfs/dbraw/zinc/63/12/68/942631268.db2.gz RDJFNCIOWMVSRZ-CABCVRRESA-N 2 0 358.507 3.509 20 0 FHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420352554 942634662 /nfs/dbraw/zinc/63/46/62/942634662.db2.gz APVYNJZYYAIDID-HXUWFJFHSA-N 2 0 367.493 3.785 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000420368964 942642829 /nfs/dbraw/zinc/64/28/29/942642829.db2.gz XEIWTMMAXBUQFF-LJQANCHMSA-N 2 0 372.484 3.558 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cnn(C2CCCC2)c1 ZINC000502686731 942645890 /nfs/dbraw/zinc/64/58/90/942645890.db2.gz NSIJOQVUDDINOA-KRWDZBQOSA-N 2 0 356.514 3.789 20 0 FHADRP Brc1cccc(OC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420381503 942647303 /nfs/dbraw/zinc/64/73/03/942647303.db2.gz XLDSUGIUEQXNDX-HNNXBMFYSA-N 2 0 367.331 3.682 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383425 942647995 /nfs/dbraw/zinc/64/79/95/942647995.db2.gz ZRKYQUYPEIVGPA-RDJZCZTQSA-N 2 0 356.432 3.792 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000420384038 942649065 /nfs/dbraw/zinc/64/90/65/942649065.db2.gz RCQPNXHNYKFSON-XZOQPEGZSA-N 2 0 352.522 3.991 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000420388627 942650604 /nfs/dbraw/zinc/65/06/04/942650604.db2.gz LRBZGAYDOXFEDD-AEFFLSMTSA-N 2 0 354.947 3.650 20 0 FHADRP [NH3+]CC1(O)CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000420402024 942662178 /nfs/dbraw/zinc/66/21/78/942662178.db2.gz HXJHSUXAUOZILM-UHFFFAOYSA-N 2 0 374.475 3.663 20 0 FHADRP C[NH+](C)CCCC1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000501774934 942666930 /nfs/dbraw/zinc/66/69/30/942666930.db2.gz LQDUAEJWLBFDTC-QFIPXVFZSA-N 2 0 371.569 3.794 20 0 FHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000513755638 942740556 /nfs/dbraw/zinc/74/05/56/942740556.db2.gz TWFIAVJEPBZCPE-QGZVFWFLSA-N 2 0 374.475 3.908 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000514092858 942742406 /nfs/dbraw/zinc/74/24/06/942742406.db2.gz GLHJZHMBKPUZFE-QRVBRYPASA-N 2 0 355.530 3.676 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1cccc(C)c1 ZINC000514098449 942758300 /nfs/dbraw/zinc/75/83/00/942758300.db2.gz GZLCSLHZZZUAMJ-NRFANRHFSA-N 2 0 352.526 3.773 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502815058 942766640 /nfs/dbraw/zinc/76/66/40/942766640.db2.gz NMWQWNCRWSQHAZ-RBUKOAKNSA-N 2 0 374.573 3.680 20 0 FHADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCCO[C@H]2CCCCO2)CC3)cc1 ZINC000514118622 942767013 /nfs/dbraw/zinc/76/70/13/942767013.db2.gz LKBYGBDKTJEVKE-QFIPXVFZSA-N 2 0 372.553 3.908 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000421829511 942836799 /nfs/dbraw/zinc/83/67/99/942836799.db2.gz IEYQFHZRQQFMSF-CABCVRRESA-N 2 0 354.897 3.501 20 0 FHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000421836006 942839775 /nfs/dbraw/zinc/83/97/75/942839775.db2.gz GFSQLEGECHHCOS-DNVCBOLYSA-N 2 0 374.912 3.766 20 0 FHADRP Cc1ccc2c(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248352 942849547 /nfs/dbraw/zinc/84/95/47/942849547.db2.gz ORKPNTZSHUCPOE-SJLPKXTDSA-N 2 0 353.510 3.991 20 0 FHADRP Cc1c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1cccc(Cl)c1 ZINC000421876743 942861072 /nfs/dbraw/zinc/86/10/72/942861072.db2.gz LBNYMNJZWNEICK-IGEOTXOUSA-N 2 0 361.921 3.753 20 0 FHADRP Cc1c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000421890520 942867413 /nfs/dbraw/zinc/86/74/13/942867413.db2.gz XYTPRUKQOWQYQT-IGEOTXOUSA-N 2 0 361.921 3.753 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510003896 942902236 /nfs/dbraw/zinc/90/22/36/942902236.db2.gz WXHSEOJWHQEJPZ-HXUWFJFHSA-N 2 0 367.537 3.515 20 0 FHADRP CC1CCC([NH+]2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)CC1 ZINC000378576248 942906057 /nfs/dbraw/zinc/90/60/57/942906057.db2.gz ZWRVWNYZEIWHBI-UHFFFAOYSA-N 2 0 362.587 3.745 20 0 FHADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000503051168 942926631 /nfs/dbraw/zinc/92/66/31/942926631.db2.gz HMCWOUFNTKUNLK-IBGZPJMESA-N 2 0 361.533 3.858 20 0 FHADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414854947 942977088 /nfs/dbraw/zinc/97/70/88/942977088.db2.gz MHWGNCBOVJNZCX-YLJYHZDGSA-N 2 0 354.494 3.752 20 0 FHADRP CC(C)[NH+](CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C(C)C ZINC000503125178 942991437 /nfs/dbraw/zinc/99/14/37/942991437.db2.gz HUJJIEKEOLQDNN-GOSISDBHSA-N 2 0 362.562 3.534 20 0 FHADRP Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc(C)n1 ZINC000422210306 943049436 /nfs/dbraw/zinc/04/94/36/943049436.db2.gz OORPAVQZFPRKLU-UHFFFAOYSA-N 2 0 374.916 3.625 20 0 FHADRP CCC[N@H+](C[C@@H](OC)C1CCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000660073489 943052150 /nfs/dbraw/zinc/05/21/50/943052150.db2.gz GRICOWRIFORTCE-HXUWFJFHSA-N 2 0 360.546 3.589 20 0 FHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000271861042 943062338 /nfs/dbraw/zinc/06/23/38/943062338.db2.gz KMQCDBFXDXUDCC-APWZRJJASA-N 2 0 362.489 3.686 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414651319 943097799 /nfs/dbraw/zinc/09/77/99/943097799.db2.gz BXRHDKDHZJBQLT-SJORKVTESA-N 2 0 353.514 3.619 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000414654537 943114181 /nfs/dbraw/zinc/11/41/81/943114181.db2.gz CEWSGGZRCMZPRN-UHFFFAOYSA-N 2 0 360.933 3.964 20 0 FHADRP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000414662368 943145370 /nfs/dbraw/zinc/14/53/70/943145370.db2.gz RDMDRHKSCZTPHE-PGRDOPGGSA-N 2 0 360.505 3.768 20 0 FHADRP C[NH+](CCCCCC[N@@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000272378969 943146782 /nfs/dbraw/zinc/14/67/82/943146782.db2.gz QYFFLIPMIUYHFT-UHFFFAOYSA-N 2 0 354.542 3.686 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668699 943169387 /nfs/dbraw/zinc/16/93/87/943169387.db2.gz ZBJRQNPNNUZIMY-DZGCQCFKSA-N 2 0 360.420 3.586 20 0 FHADRP COc1cc(CN2CCC3(CC[NH2+]3)CC2)ccc1OCc1ccc(F)cc1 ZINC000422563609 943183331 /nfs/dbraw/zinc/18/33/31/943183331.db2.gz TYELLDLWYCSDET-UHFFFAOYSA-N 2 0 370.468 3.741 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000660107864 943183943 /nfs/dbraw/zinc/18/39/43/943183943.db2.gz RDQIWBCPTKPXEK-NRFANRHFSA-N 2 0 355.570 3.597 20 0 FHADRP Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000514687647 943216160 /nfs/dbraw/zinc/21/61/60/943216160.db2.gz UDQSCVDDHPUBHV-STQMWFEESA-N 2 0 368.294 3.950 20 0 FHADRP CC[NH2+]Cc1cccc(NCc2ccccc2N2CC[NH+](CC)CC2)c1 ZINC000414867319 943225496 /nfs/dbraw/zinc/22/54/96/943225496.db2.gz NEYTUGXQXXWRFH-UHFFFAOYSA-N 2 0 352.526 3.550 20 0 FHADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422701784 943238400 /nfs/dbraw/zinc/23/84/00/943238400.db2.gz CMRRMHRPIDIFCP-UGKGYDQZSA-N 2 0 354.469 3.949 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703264 943239514 /nfs/dbraw/zinc/23/95/14/943239514.db2.gz HJEDYBVFNSHBSN-GDIGMMSISA-N 2 0 372.310 3.762 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CC(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422709173 943242208 /nfs/dbraw/zinc/24/22/08/943242208.db2.gz CZFPJQJIAIJWPU-MSOLQXFVSA-N 2 0 360.542 3.654 20 0 FHADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000422711379 943244186 /nfs/dbraw/zinc/24/41/86/943244186.db2.gz FWENVBZOQMECTF-SWDXFRIISA-N 2 0 369.475 3.961 20 0 FHADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272948956 943248952 /nfs/dbraw/zinc/24/89/52/943248952.db2.gz UKWKPNMNEBHDPV-RXVVDRJESA-N 2 0 369.553 3.665 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422733168 943250603 /nfs/dbraw/zinc/25/06/03/943250603.db2.gz QSMRKNLMUKPWKG-AUUYWEPGSA-N 2 0 370.368 3.936 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714785 943254086 /nfs/dbraw/zinc/25/40/86/943254086.db2.gz RNFBHBTZNJFATA-FXAWDEMLSA-N 2 0 355.457 3.685 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)nc1 ZINC000422724111 943258901 /nfs/dbraw/zinc/25/89/01/943258901.db2.gz UNNSAZGBWSVFHC-BHDDXSALSA-N 2 0 351.494 3.671 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422758682 943263232 /nfs/dbraw/zinc/26/32/32/943263232.db2.gz JQXVURMFUNRNNK-QHAWAJNXSA-N 2 0 360.517 3.774 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)CC[NH2+]CC1 ZINC000422760854 943264308 /nfs/dbraw/zinc/26/43/08/943264308.db2.gz MGGVUACILBJCEE-IRXDYDNUSA-N 2 0 354.494 3.812 20 0 FHADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000503569314 943266708 /nfs/dbraw/zinc/26/67/08/943266708.db2.gz QBHVJUDVMAZBMH-VQQMMKBISA-N 2 0 360.542 3.591 20 0 FHADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422741391 943267133 /nfs/dbraw/zinc/26/71/33/943267133.db2.gz DJTMHMFTXFTERI-QTGUNEKASA-N 2 0 363.505 3.501 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422743966 943268750 /nfs/dbraw/zinc/26/87/50/943268750.db2.gz JHWYMOGVSVGNFB-YYDVJCTNSA-N 2 0 351.538 3.760 20 0 FHADRP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753781 943273091 /nfs/dbraw/zinc/27/30/91/943273091.db2.gz DEVAYKQWFLASBL-VWPQPMDRSA-N 2 0 352.478 3.992 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422766267 943275013 /nfs/dbraw/zinc/27/50/13/943275013.db2.gz LRMJQOKRWZTEKE-UGKGYDQZSA-N 2 0 352.453 3.703 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422771038 943276973 /nfs/dbraw/zinc/27/69/73/943276973.db2.gz XKTAQUIBABYEER-NJDAHSKKSA-N 2 0 360.517 3.774 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2ccc(OC)cc2)cc1 ZINC000422775063 943278174 /nfs/dbraw/zinc/27/81/74/943278174.db2.gz ZSINUZNWADAYQW-QIJUGHKUSA-N 2 0 354.494 3.705 20 0 FHADRP CCC(CC)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000422773424 943278399 /nfs/dbraw/zinc/27/83/99/943278399.db2.gz YQEGAEMJISOTSW-BDKRGJGYSA-N 2 0 373.585 3.643 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775198 943278424 /nfs/dbraw/zinc/27/84/24/943278424.db2.gz AMZSEQQOGXWMIC-WBVHZDCISA-N 2 0 358.917 3.822 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775196 943278673 /nfs/dbraw/zinc/27/86/73/943278673.db2.gz AMZSEQQOGXWMIC-NVXWUHKLSA-N 2 0 358.917 3.822 20 0 FHADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778887 943279905 /nfs/dbraw/zinc/27/99/05/943279905.db2.gz HWZWTWAVSAFPIA-VNQPRFMTSA-N 2 0 357.329 3.701 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784648 943281532 /nfs/dbraw/zinc/28/15/32/943281532.db2.gz IZTCVJOLZRQBJA-ACIOBRDBSA-N 2 0 366.553 3.949 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000422785277 943282532 /nfs/dbraw/zinc/28/25/32/943282532.db2.gz NFWPBGCFPAEMGS-HNNXBMFYSA-N 2 0 372.944 3.817 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1OCc1ccccc1 ZINC000422764108 943284077 /nfs/dbraw/zinc/28/40/77/943284077.db2.gz JVZAWJDQDBYNTN-FXAWDEMLSA-N 2 0 354.494 3.752 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762620 943284255 /nfs/dbraw/zinc/28/42/55/943284255.db2.gz ILNUPFBAWAEYBG-IMRHEYAYSA-N 2 0 368.521 3.965 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765693 943285604 /nfs/dbraw/zinc/28/56/04/943285604.db2.gz RBFOXJDFADBZDD-PSBWJHGTSA-N 2 0 369.475 3.805 20 0 FHADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422795492 943286352 /nfs/dbraw/zinc/28/63/52/943286352.db2.gz VSZVKKVMYKAXJH-NQSCKRDGSA-N 2 0 352.478 3.608 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000422800260 943288138 /nfs/dbraw/zinc/28/81/38/943288138.db2.gz AYQVUKZVBUOUEX-UONOGXRCSA-N 2 0 372.431 3.677 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422800056 943288717 /nfs/dbraw/zinc/28/87/17/943288717.db2.gz ANDPCOKWKRRCTF-GFCCVEGCSA-N 2 0 353.388 3.641 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000422803763 943289334 /nfs/dbraw/zinc/28/93/34/943289334.db2.gz GPEXLQOJMPACDU-KKXNLOMOSA-N 2 0 358.526 3.624 20 0 FHADRP CCN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422789338 943293112 /nfs/dbraw/zinc/29/31/12/943293112.db2.gz ODTAVIFOKDYPFA-ZPMCFJSWSA-N 2 0 353.510 3.687 20 0 FHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422790710 943293898 /nfs/dbraw/zinc/29/38/98/943293898.db2.gz PQULXGOUVGNUEK-XPWALMASSA-N 2 0 366.505 3.609 20 0 FHADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422792137 943293954 /nfs/dbraw/zinc/29/39/54/943293954.db2.gz QQQLTWUGGABMEU-PIPMEXSNSA-N 2 0 352.478 3.608 20 0 FHADRP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791459 943294282 /nfs/dbraw/zinc/29/42/82/943294282.db2.gz YNFRPRCTXIATGO-XWFZLUIHSA-N 2 0 352.478 3.992 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822907 943295565 /nfs/dbraw/zinc/29/55/65/943295565.db2.gz BURJVAVMFVILML-RBBKRZOGSA-N 2 0 352.478 3.819 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422832190 943298725 /nfs/dbraw/zinc/29/87/25/943298725.db2.gz KPGABBQVJWFPPQ-TUNNFDKTSA-N 2 0 351.494 3.667 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832152 943298784 /nfs/dbraw/zinc/29/87/84/943298784.db2.gz URMZCZVZZUHNTM-UTKZUKDTSA-N 3 0 357.567 3.508 20 0 FHADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422830895 943299012 /nfs/dbraw/zinc/29/90/12/943299012.db2.gz DGTAREKKCHASMR-VAMGGRTRSA-N 2 0 357.542 3.564 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836862 943300429 /nfs/dbraw/zinc/30/04/29/943300429.db2.gz KSEDREYIRFTFSZ-ZZTDLJEGSA-N 2 0 351.538 3.588 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cc(C(C)(C)C)cc3C)C2)CC1 ZINC000503645016 943308126 /nfs/dbraw/zinc/30/81/26/943308126.db2.gz BNFNNPSKFLJKQU-OAQYLSRUSA-N 2 0 357.586 3.813 20 0 FHADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422864525 943309881 /nfs/dbraw/zinc/30/98/81/943309881.db2.gz NIAHALZUXSASDK-NJDAHSKKSA-N 2 0 360.542 3.811 20 0 FHADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000514819849 943311206 /nfs/dbraw/zinc/31/12/06/943311206.db2.gz CFMYVLZHILCEMY-MRXNPFEDSA-N 2 0 352.544 3.572 20 0 FHADRP c1ccc(C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422841891 943311607 /nfs/dbraw/zinc/31/16/07/943311607.db2.gz XBBKXXLBIOMQEX-JLLPCOHGSA-N 2 0 364.533 3.760 20 0 FHADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422845045 943312113 /nfs/dbraw/zinc/31/21/13/943312113.db2.gz ATZVGSLQGMNQBM-UGKGYDQZSA-N 2 0 354.469 3.949 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422846156 943312901 /nfs/dbraw/zinc/31/29/01/943312901.db2.gz PHTWULSTPBZRNZ-PCCBWWKXSA-N 2 0 356.489 3.720 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422875988 943313619 /nfs/dbraw/zinc/31/36/19/943313619.db2.gz FAHNYFKIODQAEN-DOTOQJQBSA-N 2 0 372.944 3.988 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422876101 943313636 /nfs/dbraw/zinc/31/36/36/943313636.db2.gz FAHNYFKIODQAEN-WBVHZDCISA-N 2 0 372.944 3.988 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422878010 943314162 /nfs/dbraw/zinc/31/41/62/943314162.db2.gz IQFHRYSKGBIYCC-ARFHVFGLSA-N 2 0 357.473 3.783 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422879020 943314420 /nfs/dbraw/zinc/31/44/20/943314420.db2.gz JZKNZCARECRLDN-XPWALMASSA-N 2 0 366.505 3.512 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422880432 943315078 /nfs/dbraw/zinc/31/50/78/943315078.db2.gz LUOMTXWVDRKODX-PXNSSMCTSA-N 2 0 357.567 3.955 20 0 FHADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422890366 943319767 /nfs/dbraw/zinc/31/97/67/943319767.db2.gz RTFCCJMLSMBUTN-PWRODBHTSA-N 2 0 352.526 3.890 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422890410 943319783 /nfs/dbraw/zinc/31/97/83/943319783.db2.gz RXJXBLATFPGPSY-QNTYUMOHSA-N 3 0 366.553 3.656 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870279 943320560 /nfs/dbraw/zinc/32/05/60/943320560.db2.gz XNGOOOBRPAVJOU-WOJBJXKFSA-N 2 0 365.477 3.852 20 0 FHADRP CCOc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1OC(F)F ZINC000422871182 943321385 /nfs/dbraw/zinc/32/13/85/943321385.db2.gz CQJYIKNUXLYWEZ-GFCCVEGCSA-N 2 0 365.424 3.700 20 0 FHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422873558 943322977 /nfs/dbraw/zinc/32/29/77/943322977.db2.gz LOUNCDZDVHZGPI-DYESRHJHSA-N 2 0 374.431 3.942 20 0 FHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422875077 943323521 /nfs/dbraw/zinc/32/35/21/943323521.db2.gz BPONCLIGFDESIN-XUVXKRRUSA-N 2 0 362.945 3.899 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+]C2CCC(C[NH3+])CC2)CCOCC1 ZINC000422896466 943323585 /nfs/dbraw/zinc/32/35/85/943323585.db2.gz AEOFSGFRIOXQAY-UHFFFAOYSA-N 2 0 366.933 3.504 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422899630 943324396 /nfs/dbraw/zinc/32/43/96/943324396.db2.gz HXNKNZPJWFRCMK-PCCBWWKXSA-N 2 0 360.517 3.774 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422899419 943324653 /nfs/dbraw/zinc/32/46/53/943324653.db2.gz HMCLALSHJXFPPK-JCGIZDLHSA-N 2 0 370.459 3.859 20 0 FHADRP CCCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902221 943325357 /nfs/dbraw/zinc/32/53/57/943325357.db2.gz UEWVUZVFBFVJOD-UNMCSNQZSA-N 2 0 352.478 3.821 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425340742 943328609 /nfs/dbraw/zinc/32/86/09/943328609.db2.gz FHGKWUGTDMAQOK-YJLNNSPDSA-N 2 0 351.535 3.512 20 0 FHADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422925369 943333525 /nfs/dbraw/zinc/33/35/25/943333525.db2.gz BNOLUAZWMHEJPM-RYQLBKOJSA-N 2 0 364.917 3.554 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422939164 943338491 /nfs/dbraw/zinc/33/84/91/943338491.db2.gz HVOULLKIWYBTDQ-RDTXWAMCSA-N 2 0 352.400 3.632 20 0 FHADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154115 943341158 /nfs/dbraw/zinc/34/11/58/943341158.db2.gz IZCOHVOFJXGVKP-KKSHJYNMSA-N 2 0 355.570 3.528 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000503701851 943344879 /nfs/dbraw/zinc/34/48/79/943344879.db2.gz NJFPMILIVITJDW-MOPGFXCFSA-N 2 0 374.573 3.632 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000422958101 943349294 /nfs/dbraw/zinc/34/92/94/943349294.db2.gz OOQUNBJSKHZFDA-KPZWWZAWSA-N 2 0 360.299 3.949 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957471 943350175 /nfs/dbraw/zinc/35/01/75/943350175.db2.gz UGXONKUFPCIYJR-VQIMIIECSA-N 2 0 366.534 3.686 20 0 FHADRP C[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000414709474 943354386 /nfs/dbraw/zinc/35/43/86/943354386.db2.gz JZJAROZSANBOKK-HKUYNNGSSA-N 2 0 372.557 3.900 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)CC[NH2+]CC1 ZINC000422971687 943354474 /nfs/dbraw/zinc/35/44/74/943354474.db2.gz JMSHZAOFXFHGMH-DOTOQJQBSA-N 2 0 362.514 3.513 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)CC[NH2+]CC1 ZINC000422971688 943354792 /nfs/dbraw/zinc/35/47/92/943354792.db2.gz JMSHZAOFXFHGMH-NVXWUHKLSA-N 2 0 362.514 3.513 20 0 FHADRP CCC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)C1CC[NH2+]CC1 ZINC000435375424 943356813 /nfs/dbraw/zinc/35/68/13/943356813.db2.gz UZHUOQRNUQZOEF-UHFFFAOYSA-N 2 0 360.420 3.600 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377644 943358121 /nfs/dbraw/zinc/35/81/21/943358121.db2.gz DWDNAAHMNWTXPH-VDGAXYAQSA-N 2 0 352.478 3.540 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996934 943359635 /nfs/dbraw/zinc/35/96/35/943359635.db2.gz AJKQQBJPJWARMB-TZYAJKAJSA-N 3 0 365.565 3.835 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423002979 943362454 /nfs/dbraw/zinc/36/24/54/943362454.db2.gz KKHCOBBPOPUBFI-WFXMLNOXSA-N 3 0 366.553 3.800 20 0 FHADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008285 943363719 /nfs/dbraw/zinc/36/37/19/943363719.db2.gz ZRLLTYBFUROGNK-GCJKJVERSA-N 2 0 363.509 3.754 20 0 FHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435370527 943363882 /nfs/dbraw/zinc/36/38/82/943363882.db2.gz JCRIQGUXNBCQGI-GDBMZVCRSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435370815 943364099 /nfs/dbraw/zinc/36/40/99/943364099.db2.gz KFCFRZXENVNFSX-GDBMZVCRSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435370818 943364233 /nfs/dbraw/zinc/36/42/33/943364233.db2.gz KFCFRZXENVNFSX-ZBFHGGJFSA-N 2 0 357.885 3.761 20 0 FHADRP CCN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423019152 943366043 /nfs/dbraw/zinc/36/60/43/943366043.db2.gz UEUXDSHISCSBED-JPTANXAOSA-N 2 0 353.913 3.722 20 0 FHADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000423021099 943367124 /nfs/dbraw/zinc/36/71/24/943367124.db2.gz DIICDBJJEZHEOT-UTKZUKDTSA-N 2 0 371.550 3.829 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022515 943367785 /nfs/dbraw/zinc/36/77/85/943367785.db2.gz HYJNUSGNQZVXIW-UKRRQHHQSA-N 2 0 362.880 3.571 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000435380341 943368619 /nfs/dbraw/zinc/36/86/19/943368619.db2.gz NSJODFOTVSYCID-IAGOWNOFSA-N 2 0 350.466 3.610 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](c1ccccc1)N(C)C ZINC000423048708 943368997 /nfs/dbraw/zinc/36/89/97/943368997.db2.gz IKXXIAKGCAMVMZ-HQAQVQPGSA-N 2 0 365.521 3.523 20 0 FHADRP c1cncc(COc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)c1 ZINC000435380854 943370569 /nfs/dbraw/zinc/37/05/69/943370569.db2.gz UBKOFXRSGBZJNG-JOCHJYFZSA-N 2 0 351.494 3.625 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028596 943371114 /nfs/dbraw/zinc/37/11/14/943371114.db2.gz GWHNBBMXYDNSAV-QZTJIDSGSA-N 2 0 352.413 3.543 20 0 FHADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423057814 943377523 /nfs/dbraw/zinc/37/75/23/943377523.db2.gz AWLALGXKMZSAMO-UOVPBQLFSA-N 2 0 367.459 3.794 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000423060021 943378259 /nfs/dbraw/zinc/37/82/59/943378259.db2.gz HDWFVFZAKJGAGF-IAGOWNOFSA-N 2 0 373.310 3.773 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071052 943382029 /nfs/dbraw/zinc/38/20/29/943382029.db2.gz NXHRXIJYJYUARY-DEYYWGMASA-N 2 0 362.315 3.843 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077875 943385539 /nfs/dbraw/zinc/38/55/39/943385539.db2.gz NCSVPWSLOCLITE-AYOQOUSVSA-N 2 0 364.480 3.523 20 0 FHADRP CCCNc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078667 943386360 /nfs/dbraw/zinc/38/63/60/943386360.db2.gz WLPOTIWGZFAIEI-RBBKRZOGSA-N 2 0 351.494 3.854 20 0 FHADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423079065 943386519 /nfs/dbraw/zinc/38/65/19/943386519.db2.gz PWFMPCFUKZVYNW-MBWHEUGSSA-N 2 0 364.489 3.610 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414716691 943388881 /nfs/dbraw/zinc/38/88/81/943388881.db2.gz SOWDVJIEKAJCNY-FUHWJXTLSA-N 2 0 358.530 3.700 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000414716781 943389240 /nfs/dbraw/zinc/38/92/40/943389240.db2.gz SXTABYASIWUKPL-IBGZPJMESA-N 2 0 358.530 3.796 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000435395977 943390374 /nfs/dbraw/zinc/39/03/74/943390374.db2.gz TVKRWMFXOKPIGZ-KRWDZBQOSA-N 2 0 352.526 3.784 20 0 FHADRP CCO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089109 943390560 /nfs/dbraw/zinc/39/05/60/943390560.db2.gz RRZRXVLEAXKDPJ-CEMLEFRQSA-N 2 0 352.478 3.610 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423097725 943393378 /nfs/dbraw/zinc/39/33/78/943393378.db2.gz BFGPBBKHJDEHLU-STQMWFEESA-N 2 0 357.361 3.910 20 0 FHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423123148 943397708 /nfs/dbraw/zinc/39/77/08/943397708.db2.gz DGMTWZINNOKRNV-ZLLBNUPZSA-N 2 0 352.453 3.917 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122962 943397804 /nfs/dbraw/zinc/39/78/04/943397804.db2.gz KJZJKJPOYHKSQU-ODAXIHTASA-N 2 0 373.585 3.977 20 0 FHADRP CC[C@H](C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420331 943400506 /nfs/dbraw/zinc/40/05/06/943400506.db2.gz CQZFUZVHCSLFEW-QUCCMNQESA-N 2 0 352.526 3.558 20 0 FHADRP CC[NH2+]CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000514930753 943400516 /nfs/dbraw/zinc/40/05/16/943400516.db2.gz PYQGMSKIRONIIV-KRWDZBQOSA-N 2 0 355.320 3.506 20 0 FHADRP c1ccc(COc2cnccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423104790 943401703 /nfs/dbraw/zinc/40/17/03/943401703.db2.gz MRNDSXJGGOKJJR-NJDAHSKKSA-N 2 0 351.494 3.671 20 0 FHADRP C[C@H](Cc1ccccc1)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421146 943402229 /nfs/dbraw/zinc/40/22/29/943402229.db2.gz IAAANJPFEUKBJX-IEBWSBKVSA-N 2 0 355.551 3.966 20 0 FHADRP COc1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435422756 943402863 /nfs/dbraw/zinc/40/28/63/943402863.db2.gz QAQVZTBVELXWTA-HXUWFJFHSA-N 2 0 372.534 3.910 20 0 FHADRP CN(CCC(F)(F)F)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423106760 943402938 /nfs/dbraw/zinc/40/29/38/943402938.db2.gz PDCKHEMEHSIGEP-HRCADAONSA-N 2 0 363.855 3.735 20 0 FHADRP COc1ccc([C@@H](C)C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435425185 943405204 /nfs/dbraw/zinc/40/52/04/943405204.db2.gz CMGIKEKUNREWGN-RDJZCZTQSA-N 2 0 359.539 3.675 20 0 FHADRP COc1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1O ZINC000435426197 943406364 /nfs/dbraw/zinc/40/63/64/943406364.db2.gz GUGHIXHEPRMZAM-LJQANCHMSA-N 2 0 358.507 3.607 20 0 FHADRP C[N@H+](CCOCc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000660166356 943408739 /nfs/dbraw/zinc/40/87/39/943408739.db2.gz OPFCRFXDGUCVNN-UHFFFAOYSA-N 2 0 353.510 3.837 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000423152796 943410709 /nfs/dbraw/zinc/41/07/09/943410709.db2.gz MLEHWZWMANDKCW-KRWDZBQOSA-N 2 0 352.526 3.554 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000584691166 943411255 /nfs/dbraw/zinc/41/12/55/943411255.db2.gz UMTDCMMPWHVSSM-WIYYLYMNSA-N 2 0 357.542 3.617 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000584691165 943411342 /nfs/dbraw/zinc/41/13/42/943411342.db2.gz UMTDCMMPWHVSSM-RXVVDRJESA-N 2 0 357.542 3.617 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000563060992 943413865 /nfs/dbraw/zinc/41/38/65/943413865.db2.gz SHOJXVKWKIJZSZ-ZWKOTPCHSA-N 2 0 365.521 3.868 20 0 FHADRP COc1ccc([C@@H](C)C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436949 943416404 /nfs/dbraw/zinc/41/64/04/943416404.db2.gz HOORTFXOGVJAAJ-QFBILLFUSA-N 2 0 371.550 3.900 20 0 FHADRP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000187120487 943436018 /nfs/dbraw/zinc/43/60/18/943436018.db2.gz CFYQFMMTXALAMS-QFBILLFUSA-N 2 0 365.562 3.629 20 0 FHADRP Clc1ccccc1C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccs1 ZINC000423191979 943437001 /nfs/dbraw/zinc/43/70/01/943437001.db2.gz UWTDELWSGXYWTA-GOSISDBHSA-N 2 0 363.958 3.570 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423192286 943437077 /nfs/dbraw/zinc/43/70/77/943437077.db2.gz UJEZMNVFEMECNC-HNNXBMFYSA-N 2 0 368.363 3.521 20 0 FHADRP [NH3+]CCC[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423195459 943438545 /nfs/dbraw/zinc/43/85/45/943438545.db2.gz SOJFZGJAAVVTAF-ZDUSSCGKSA-N 2 0 351.210 3.857 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000503986613 943442792 /nfs/dbraw/zinc/44/27/92/943442792.db2.gz LWGIGDASHQAIQE-FPOVZHCZSA-N 2 0 374.573 3.582 20 0 FHADRP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423215428 943445765 /nfs/dbraw/zinc/44/57/65/943445765.db2.gz NTRKBRYDOHTVOR-AVJHPGPQSA-N 2 0 355.707 3.962 20 0 FHADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000515005841 943446402 /nfs/dbraw/zinc/44/64/02/943446402.db2.gz KXFJFDDILLDBOP-CXAGYDPISA-N 2 0 360.889 3.915 20 0 FHADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893297124 943447591 /nfs/dbraw/zinc/44/75/91/943447591.db2.gz JQWJXOARBSMZKO-LRCWTTKQSA-N 2 0 367.331 3.740 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000515009049 943455438 /nfs/dbraw/zinc/45/54/38/943455438.db2.gz ITVXUXFNDWCWMR-BZOOQXSSSA-N 2 0 371.447 3.885 20 0 FHADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000515009050 943455466 /nfs/dbraw/zinc/45/54/66/943455466.db2.gz ITVXUXFNDWCWMR-KTAKPFMOSA-N 2 0 371.447 3.885 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423243564 943457560 /nfs/dbraw/zinc/45/75/60/943457560.db2.gz GOJPXLYVJUQTSP-DYVFJYSZSA-N 2 0 355.320 3.744 20 0 FHADRP COCCC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000423251352 943459600 /nfs/dbraw/zinc/45/96/00/943459600.db2.gz RVCYCDOFKJESMM-RHSMWYFYSA-N 2 0 355.320 3.506 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423252370 943460222 /nfs/dbraw/zinc/46/02/22/943460222.db2.gz UCJWPFPJMWUULO-UGKGYDQZSA-N 3 0 361.549 3.968 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423252367 943460319 /nfs/dbraw/zinc/46/03/19/943460319.db2.gz UCJWPFPJMWUULO-DENIHFKCSA-N 3 0 361.549 3.968 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423254127 943461010 /nfs/dbraw/zinc/46/10/10/943461010.db2.gz XFFKIBDSENBBFK-RHSMWYFYSA-N 2 0 357.523 3.785 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423260501 943462726 /nfs/dbraw/zinc/46/27/26/943462726.db2.gz QFQCJAICUZJMRV-BBRMVZONSA-N 2 0 353.304 3.642 20 0 FHADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292965 943467216 /nfs/dbraw/zinc/46/72/16/943467216.db2.gz PDMIYOXVKQLGQP-JKSUJKDBSA-N 2 0 358.482 3.591 20 0 FHADRP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]C[C@@H]([NH3+])C2CC2)nc1 ZINC000423315930 943473908 /nfs/dbraw/zinc/47/39/08/943473908.db2.gz JHJYAWSJWITLHF-NHCUHLMSSA-N 2 0 357.929 3.778 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322744 943475366 /nfs/dbraw/zinc/47/53/66/943475366.db2.gz GTAIHFQSQVJEAI-YSSFQJQWSA-N 2 0 370.493 3.509 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)CCC2 ZINC000423292789 943475454 /nfs/dbraw/zinc/47/54/54/943475454.db2.gz OKZWJGOSETTXSV-RHSMWYFYSA-N 2 0 356.466 3.952 20 0 FHADRP Fc1ccc([C@H](Cc2ccccc2Br)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303654 943477292 /nfs/dbraw/zinc/47/72/92/943477292.db2.gz MGIGHHANXFZFEB-SFHVURJKSA-N 2 0 363.274 3.681 20 0 FHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423348763 943479440 /nfs/dbraw/zinc/47/94/40/943479440.db2.gz UWFPFWQHXFNHHV-MEDUHNTESA-N 2 0 353.329 3.741 20 0 FHADRP COc1ccc(C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423328346 943481291 /nfs/dbraw/zinc/48/12/91/943481291.db2.gz MAGDBGMPFWDZDG-XZOQPEGZSA-N 2 0 368.521 3.967 20 0 FHADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CC2([NH3+])CCC2)nc1 ZINC000423332999 943482606 /nfs/dbraw/zinc/48/26/06/943482606.db2.gz PQQRLIJRKDPTHP-FQEVSTJZSA-N 2 0 357.929 3.922 20 0 FHADRP CC1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC[NH2+]CC1 ZINC000423335720 943483638 /nfs/dbraw/zinc/48/36/38/943483638.db2.gz RXDHOKYCTDKIJT-HNNXBMFYSA-N 2 0 353.304 3.642 20 0 FHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423339578 943484108 /nfs/dbraw/zinc/48/41/08/943484108.db2.gz VJWRPVBTRBEGMY-SJLPKXTDSA-N 2 0 364.505 3.814 20 0 FHADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423363661 943491764 /nfs/dbraw/zinc/49/17/64/943491764.db2.gz AEMPAPZHDSNDCY-INIZCTEOSA-N 2 0 351.494 3.920 20 0 FHADRP Brc1cccc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423370802 943493617 /nfs/dbraw/zinc/49/36/17/943493617.db2.gz FXZDYATZEYNBNL-KRWDZBQOSA-N 2 0 357.295 3.699 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423419644 943503987 /nfs/dbraw/zinc/50/39/87/943503987.db2.gz IUCNHTVOZJMKGA-CYFREDJKSA-N 2 0 363.549 3.559 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318413 943504584 /nfs/dbraw/zinc/50/45/84/943504584.db2.gz YVWXFXRHZWHZIC-OSTWSGHESA-N 2 0 370.562 3.713 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000423421280 943505993 /nfs/dbraw/zinc/50/59/93/943505993.db2.gz JZGRFVRDYMRTQD-IHRRRGAJSA-N 2 0 355.320 3.873 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccc(F)cc2)CC1 ZINC000423402174 943507656 /nfs/dbraw/zinc/50/76/56/943507656.db2.gz RJDPIPRLZLLGKD-COPCDDAFSA-N 3 0 361.549 3.967 20 0 FHADRP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423406225 943508794 /nfs/dbraw/zinc/50/87/94/943508794.db2.gz KHDAUYQQSFLGPL-INIZCTEOSA-N 2 0 356.963 3.817 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000312447866 943511650 /nfs/dbraw/zinc/51/16/50/943511650.db2.gz JSHZMZUULIQMGU-JOCHJYFZSA-N 2 0 364.493 3.980 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3C[C@H]3c3cccs3)cn2)CC1 ZINC000417324090 943516125 /nfs/dbraw/zinc/51/61/25/943516125.db2.gz PMQNUMFHQPUQRT-NZSAHSFTSA-N 2 0 370.566 3.567 20 0 FHADRP COc1ccc(OC)c([C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423465317 943523359 /nfs/dbraw/zinc/52/33/59/943523359.db2.gz HQTMKGSCOMOJCU-RIFZZMRRSA-N 2 0 372.484 3.887 20 0 FHADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148395 943524100 /nfs/dbraw/zinc/52/41/00/943524100.db2.gz VWCPJVLTDHESQK-AZUAARDMSA-N 2 0 374.573 3.502 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000423499016 943529551 /nfs/dbraw/zinc/52/95/51/943529551.db2.gz AAYPVLNGYNLICO-JEYLPNPQSA-N 2 0 356.341 3.860 20 0 FHADRP Brc1ccccc1C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423491736 943535764 /nfs/dbraw/zinc/53/57/64/943535764.db2.gz ZSKWJLHZJSJTEC-SJLPKXTDSA-N 2 0 351.332 3.892 20 0 FHADRP C[C@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1Cc1ccccc1 ZINC000423530970 943538364 /nfs/dbraw/zinc/53/83/64/943538364.db2.gz RYPFMRCCFTVPFI-YUOBQYBGSA-N 2 0 367.581 3.783 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528440 943538700 /nfs/dbraw/zinc/53/87/00/943538700.db2.gz ODMAFCJXLNWHNH-ZJIAUBBJSA-N 2 0 353.554 3.565 20 0 FHADRP Fc1ccccc1[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423511135 943541482 /nfs/dbraw/zinc/54/14/82/943541482.db2.gz NLAPCIQXYISFGM-AJTFCVKESA-N 2 0 359.533 3.863 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000423519841 943544040 /nfs/dbraw/zinc/54/40/40/943544040.db2.gz QPZKFHGAHZKFGT-WDGBRCNXSA-N 2 0 364.537 3.616 20 0 FHADRP C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423519771 943544069 /nfs/dbraw/zinc/54/40/69/943544069.db2.gz DPQOPBBOGVEXSY-BVXKKWFLSA-N 2 0 367.581 3.640 20 0 FHADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCCC[C@H]3[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423538024 943550826 /nfs/dbraw/zinc/55/08/26/943550826.db2.gz LVOFVCXVRUAQLU-XPWALMASSA-N 2 0 353.554 3.577 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCS2 ZINC000423538912 943550892 /nfs/dbraw/zinc/55/08/92/943550892.db2.gz OCSKNQZSFDLARD-OAHLLOKOSA-N 2 0 353.329 3.885 20 0 FHADRP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423537400 943551127 /nfs/dbraw/zinc/55/11/27/943551127.db2.gz CUTHGZAZLOTJBE-ZSXPUABSSA-N 2 0 355.913 3.997 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423540328 943552038 /nfs/dbraw/zinc/55/20/38/943552038.db2.gz JRRXDUBDBMGFPE-BIMLSOSBSA-N 2 0 353.279 3.553 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000423544160 943553404 /nfs/dbraw/zinc/55/34/04/943553404.db2.gz VXZKGMWZLFYUGT-QHCPKHFHSA-N 2 0 366.505 3.887 20 0 FHADRP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423549085 943554848 /nfs/dbraw/zinc/55/48/48/943554848.db2.gz RSPFLHZMWSTTCX-JYRKZWEQSA-N 2 0 355.913 3.997 20 0 FHADRP Brc1cccc([C@H]([NH2+]CCC[NH2+]C2CC2)C2CCOCC2)c1 ZINC000423567183 943558833 /nfs/dbraw/zinc/55/88/33/943558833.db2.gz UZVBMOSIUQHCTR-GOSISDBHSA-N 2 0 367.331 3.649 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C(C)(C)c1ccccc1 ZINC000423574393 943560884 /nfs/dbraw/zinc/56/08/84/943560884.db2.gz PKAOURAPZGFXKK-HXUWFJFHSA-N 2 0 365.565 3.936 20 0 FHADRP CC(=O)Nc1cccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435696045 943561497 /nfs/dbraw/zinc/56/14/97/943561497.db2.gz SYYYMCAKOJCAON-HXUWFJFHSA-N 2 0 369.534 3.851 20 0 FHADRP COc1cc(C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751697 943562968 /nfs/dbraw/zinc/56/29/68/943562968.db2.gz SXLIIHVCAGFMNC-ZFWWWQNUSA-N 2 0 354.441 3.649 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423729283 943606041 /nfs/dbraw/zinc/60/60/41/943606041.db2.gz NSCNCAVKCFMEFL-HNJRGHQBSA-N 2 0 357.542 3.576 20 0 FHADRP COC(=O)c1csc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000584796638 943633123 /nfs/dbraw/zinc/63/31/23/943633123.db2.gz QQSOBCYERALNNQ-HNNXBMFYSA-N 2 0 352.544 3.943 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1)C(C)C ZINC000423962252 943650001 /nfs/dbraw/zinc/65/00/01/943650001.db2.gz DQZDCPILNWALBD-NHCUHLMSSA-N 2 0 357.542 3.521 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000423986428 943673863 /nfs/dbraw/zinc/67/38/63/943673863.db2.gz XZVMQNIZXVUSTA-RTWAWAEBSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H](CC1CCCCC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016385 943687821 /nfs/dbraw/zinc/68/78/21/943687821.db2.gz CCKWJRUIAAUOMS-LJQANCHMSA-N 2 0 371.569 3.703 20 0 FHADRP CC(C)c1ccsc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017985 943688415 /nfs/dbraw/zinc/68/84/15/943688415.db2.gz HYODEHCLACNQFE-UHFFFAOYSA-N 2 0 371.550 3.595 20 0 FHADRP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)c2)cc1 ZINC000414771646 943700217 /nfs/dbraw/zinc/70/02/17/943700217.db2.gz ACXVXWCZYYLSBQ-QFIPXVFZSA-N 2 0 350.506 3.849 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000414775449 943736375 /nfs/dbraw/zinc/73/63/75/943736375.db2.gz CRZNGPXPMFSFGN-KCSJKLDESA-N 2 0 354.538 3.959 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000424136673 943748135 /nfs/dbraw/zinc/74/81/35/943748135.db2.gz NYTNWFKZGFLRKE-IAGOWNOFSA-N 2 0 351.560 3.545 20 0 FHADRP CC(C)n1cncc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000424137692 943748415 /nfs/dbraw/zinc/74/84/15/943748415.db2.gz CHTCGDBSAKWXOH-UHFFFAOYSA-N 2 0 370.541 3.625 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778002 943779280 /nfs/dbraw/zinc/77/92/80/943779280.db2.gz IUOPXOXIZRHQGC-HZPDHXFCSA-N 2 0 352.906 3.569 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000414778144 943782180 /nfs/dbraw/zinc/78/21/80/943782180.db2.gz GIVVMKSILAJIDG-QUCCMNQESA-N 2 0 360.498 3.882 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)C[C@H]2C1 ZINC000424266542 943813516 /nfs/dbraw/zinc/81/35/16/943813516.db2.gz WXAKDSMVGPNPPG-QKIVABDASA-N 2 0 372.553 3.589 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000515373981 943818280 /nfs/dbraw/zinc/81/82/80/943818280.db2.gz NSZTZFRZQYKFRB-RXVVDRJESA-N 2 0 372.557 3.695 20 0 FHADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000584869021 943821503 /nfs/dbraw/zinc/82/15/03/943821503.db2.gz RXCCSBUKWNIQEM-CTNGQTDRSA-N 2 0 367.537 3.913 20 0 FHADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000424340654 943871076 /nfs/dbraw/zinc/87/10/76/943871076.db2.gz YOFABWAQORLQJT-QZTJIDSGSA-N 2 0 353.466 3.667 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424374220 943885459 /nfs/dbraw/zinc/88/54/59/943885459.db2.gz HWBJDHWAWGKINT-AWEZNQCLSA-N 2 0 374.479 3.731 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl)CC[NH2+]CC2 ZINC000424385239 943893609 /nfs/dbraw/zinc/89/36/09/943893609.db2.gz WDMQSLJUNVUHGL-OAHLLOKOSA-N 2 0 358.917 3.705 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414786157 943905428 /nfs/dbraw/zinc/90/54/28/943905428.db2.gz UEPDFOZYRBBYOB-WOJBJXKFSA-N 2 0 350.510 3.671 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000424442158 943917168 /nfs/dbraw/zinc/91/71/68/943917168.db2.gz XIRARZDOOHEYOB-YLJYHZDGSA-N 2 0 366.509 3.628 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414790328 943938336 /nfs/dbraw/zinc/93/83/36/943938336.db2.gz AAXDVWJUKRBRJX-UMVBOHGHSA-N 2 0 357.420 3.530 20 0 FHADRP Cc1cc(C)cc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397492992 943939142 /nfs/dbraw/zinc/93/91/42/943939142.db2.gz MNMCJLCEMPVVKU-HXUWFJFHSA-N 2 0 352.522 3.981 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1CC[NH+](C)CC1 ZINC000651453533 943943464 /nfs/dbraw/zinc/94/34/64/943943464.db2.gz GFQNEHJIXVEQGY-MEDUHNTESA-N 2 0 355.295 3.895 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517166 943948621 /nfs/dbraw/zinc/94/86/21/943948621.db2.gz LQFKZDGAQLGDPU-RDJZCZTQSA-N 2 0 363.552 3.590 20 0 FHADRP OC1(C(F)(F)F)CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000397511286 943949414 /nfs/dbraw/zinc/94/94/14/943949414.db2.gz OAZQHAWVYYRFBW-UHFFFAOYSA-N 2 0 370.459 3.724 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccccc3C(=O)N(C)C)CC2)CC1 ZINC000417945823 943991013 /nfs/dbraw/zinc/99/10/13/943991013.db2.gz FYHHNWZEJKWEBQ-UHFFFAOYSA-N 2 0 357.542 3.521 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290450273 944003555 /nfs/dbraw/zinc/00/35/55/944003555.db2.gz VYMGXUIFSXFIQL-QHAWAJNXSA-N 2 0 353.510 3.513 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414800055 944012898 /nfs/dbraw/zinc/01/28/98/944012898.db2.gz KNVTYBALBBQDSB-AEFFLSMTSA-N 2 0 366.431 3.557 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414800056 944013100 /nfs/dbraw/zinc/01/31/00/944013100.db2.gz KNVTYBALBBQDSB-FUHWJXTLSA-N 2 0 366.431 3.557 20 0 FHADRP CC(C)CCC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)C)CC2)CC1 ZINC001280033343 944025196 /nfs/dbraw/zinc/02/51/96/944025196.db2.gz OGGAZXGJMQNGKB-UHFFFAOYSA-N 2 0 351.579 3.514 20 0 FHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000505136576 944066116 /nfs/dbraw/zinc/06/61/16/944066116.db2.gz SKQZMFZIXGIEEI-RTWAWAEBSA-N 2 0 359.558 3.524 20 0 FHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414811667 944081018 /nfs/dbraw/zinc/08/10/18/944081018.db2.gz QEJKHSUYXQWFQS-CYBMUJFWSA-N 2 0 368.433 3.538 20 0 FHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414811668 944081114 /nfs/dbraw/zinc/08/11/14/944081114.db2.gz QEJKHSUYXQWFQS-ZDUSSCGKSA-N 2 0 368.433 3.538 20 0 FHADRP COc1ccsc1[C@@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000364220656 944089353 /nfs/dbraw/zinc/08/93/53/944089353.db2.gz RDHFTQUJMBLPHG-MRXNPFEDSA-N 2 0 365.587 3.604 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414913877 944114883 /nfs/dbraw/zinc/11/48/83/944114883.db2.gz JRPMDJYVIXVXQL-LBPRGKRZSA-N 2 0 351.210 3.700 20 0 FHADRP CCOc1cccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1OC(F)F ZINC000414814336 944117541 /nfs/dbraw/zinc/11/75/41/944117541.db2.gz VGYWZYGQGLMJEQ-ZDUSSCGKSA-N 2 0 350.409 3.996 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914250 944135999 /nfs/dbraw/zinc/13/59/99/944135999.db2.gz XSAFDFCEWBTPRQ-UHFFFAOYSA-N 2 0 354.542 3.708 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000414818246 944140014 /nfs/dbraw/zinc/14/00/14/944140014.db2.gz VCMCSGSRLFOWMS-HZPDHXFCSA-N 2 0 373.928 3.887 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)(N2CCCCC2)CC1 ZINC000436236740 944140696 /nfs/dbraw/zinc/14/06/96/944140696.db2.gz FAKMUNXDGKBTIG-FCHUYYIVSA-N 2 0 355.570 3.863 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000436281969 944162006 /nfs/dbraw/zinc/16/20/06/944162006.db2.gz HTUWDGCWVRZURO-LXHROKJGSA-N 2 0 370.537 3.609 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000436285260 944164027 /nfs/dbraw/zinc/16/40/27/944164027.db2.gz DBSWQNDNRAFYBI-ROUUACIJSA-N 2 0 353.510 3.858 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286027 944164597 /nfs/dbraw/zinc/16/45/97/944164597.db2.gz QKYIARMJQGRTMG-BVSLBCMMSA-N 2 0 365.606 3.510 20 0 FHADRP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]CCCC[NH3+] ZINC000414915812 944184475 /nfs/dbraw/zinc/18/44/75/944184475.db2.gz ZYNPIWNLJHNIHS-UHFFFAOYSA-N 2 0 368.456 3.941 20 0 FHADRP CCCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000515756143 944184799 /nfs/dbraw/zinc/18/47/99/944184799.db2.gz NLLORXRCGFGELA-MOPGFXCFSA-N 2 0 359.558 3.703 20 0 FHADRP C[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923968 944189517 /nfs/dbraw/zinc/18/95/17/944189517.db2.gz OXWJHQWQMQUHEV-KSSFIOAISA-N 2 0 369.347 3.704 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136711895 944230398 /nfs/dbraw/zinc/23/03/98/944230398.db2.gz PGOIHLPUQWEJLJ-HXUWFJFHSA-N 2 0 358.526 3.743 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000438994413 944239857 /nfs/dbraw/zinc/23/98/57/944239857.db2.gz DNWOSFIWLDHAHW-CQSZACIVSA-N 2 0 373.472 3.705 20 0 FHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000418188414 944247280 /nfs/dbraw/zinc/24/72/80/944247280.db2.gz UHCKBLZHYWBSDO-FIKGOQFSSA-N 2 0 368.525 3.505 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000517405303 944274184 /nfs/dbraw/zinc/27/41/84/944274184.db2.gz HXQQIBHVTVHQFF-LEWJYISDSA-N 2 0 357.542 3.546 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436400764 944277222 /nfs/dbraw/zinc/27/72/22/944277222.db2.gz LOBSQLBUNXLIAF-AGILITTLSA-N 2 0 364.533 3.754 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436409174 944298019 /nfs/dbraw/zinc/29/80/19/944298019.db2.gz IITUMXFEYUUUQM-HXUWFJFHSA-N 2 0 372.557 3.709 20 0 FHADRP C[C@]1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000311173266 944300633 /nfs/dbraw/zinc/30/06/33/944300633.db2.gz USMIUOQJCUPNMK-FGTMMUONSA-N 2 0 356.432 3.598 20 0 FHADRP CC(C)(C)OC(=O)N(CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000302101798 944350093 /nfs/dbraw/zinc/35/00/93/944350093.db2.gz SCSIFPXACFERBY-UHFFFAOYSA-N 2 0 355.567 3.875 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000473754038 944362821 /nfs/dbraw/zinc/36/28/21/944362821.db2.gz ZYCSKAFEKXTOHO-OAQYLSRUSA-N 2 0 374.573 3.544 20 0 FHADRP Cc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000517537079 944367146 /nfs/dbraw/zinc/36/71/46/944367146.db2.gz CXIFGZZOUDEUIX-QFIPXVFZSA-N 2 0 355.501 3.603 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000426295138 944398890 /nfs/dbraw/zinc/39/88/90/944398890.db2.gz XFDMTIQQBBVYLH-LDLYASANSA-N 2 0 370.566 3.989 20 0 FHADRP C[NH+]1CCC(C[NH2+]CCCCCOc2ccccc2)(N2CCCCC2)CC1 ZINC000438189402 944405772 /nfs/dbraw/zinc/40/57/72/944405772.db2.gz MHUQFMKZQOWXBD-UHFFFAOYSA-N 2 0 373.585 3.776 20 0 FHADRP COc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)cc1 ZINC001167977385 944410983 /nfs/dbraw/zinc/41/09/83/944410983.db2.gz BRFNWYZXSAHZPB-SEJPIABJSA-N 2 0 370.537 3.696 20 0 FHADRP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc2ccccc21 ZINC001167981682 944488796 /nfs/dbraw/zinc/48/87/96/944488796.db2.gz DYQIFIUBBXYKPH-MNRDOXJOSA-N 2 0 350.506 3.868 20 0 FHADRP Cc1ccc(-c2noc(CCC[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)n2)cc1F ZINC000550239615 944535228 /nfs/dbraw/zinc/53/52/28/944535228.db2.gz WZFQINVKTGWFLL-NRFANRHFSA-N 2 0 372.488 3.534 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000414995479 944538547 /nfs/dbraw/zinc/53/85/47/944538547.db2.gz FSQWIYGHPRJPDA-MFKMUULPSA-N 2 0 363.246 3.658 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414994967 944543709 /nfs/dbraw/zinc/54/37/09/944543709.db2.gz FGPOKNCCRPIVGT-QUCCMNQESA-N 2 0 354.494 3.881 20 0 FHADRP CC(C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000102063160 944567165 /nfs/dbraw/zinc/56/71/65/944567165.db2.gz AHUWJJWJOPHEED-UHFFFAOYSA-N 2 0 360.546 3.913 20 0 FHADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CC2 ZINC000414998195 944620874 /nfs/dbraw/zinc/62/08/74/944620874.db2.gz IBTGMLFCWKCECU-IEIRFRATSA-N 2 0 368.496 3.675 20 0 FHADRP Fc1ccc(CCN2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cc1 ZINC000550265830 944624167 /nfs/dbraw/zinc/62/41/67/944624167.db2.gz GZGLHJJEMCCAKL-UHFFFAOYSA-N 2 0 361.549 3.688 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000418461762 944634146 /nfs/dbraw/zinc/63/41/46/944634146.db2.gz MIZANBUHKHXFPO-AZUAARDMSA-N 2 0 372.557 3.504 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000418461766 944634186 /nfs/dbraw/zinc/63/41/86/944634186.db2.gz MIZANBUHKHXFPO-QUCCMNQESA-N 2 0 372.557 3.504 20 0 FHADRP CC[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470757 944649032 /nfs/dbraw/zinc/64/90/32/944649032.db2.gz DQYKDPDRTLISGP-SZPZYZBQSA-N 2 0 360.542 3.688 20 0 FHADRP C[NH+](C)CC1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000500374728 944669218 /nfs/dbraw/zinc/66/92/18/944669218.db2.gz GDKHEPZDBIGXCW-UHFFFAOYSA-N 2 0 361.274 3.937 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1OC ZINC000414999629 944672179 /nfs/dbraw/zinc/67/21/79/944672179.db2.gz JMZNLOWTOMJUJR-AZUAARDMSA-N 2 0 372.484 3.716 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000506862584 944692452 /nfs/dbraw/zinc/69/24/52/944692452.db2.gz RPSHDLPLKAKDML-GOSISDBHSA-N 2 0 351.560 3.939 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000418490926 944705268 /nfs/dbraw/zinc/70/52/68/944705268.db2.gz QTPBWMQBPGJWRO-OAQYLSRUSA-N 2 0 370.541 3.600 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000438560687 944769839 /nfs/dbraw/zinc/76/98/39/944769839.db2.gz HJHKHARPUBNFMU-YLJYHZDGSA-N 2 0 357.542 3.639 20 0 FHADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000366697957 944793097 /nfs/dbraw/zinc/79/30/97/944793097.db2.gz RCLJMJNHXXIQIO-ZAAXVRCTSA-N 2 0 373.566 3.984 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438568388 944803240 /nfs/dbraw/zinc/80/32/40/944803240.db2.gz JFYRTSFEQJIXQE-OAQYLSRUSA-N 2 0 357.542 3.552 20 0 FHADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438571083 944807240 /nfs/dbraw/zinc/80/72/40/944807240.db2.gz UEQSHVHDPQCLOU-QFIPXVFZSA-N 2 0 369.553 3.696 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000500424920 944870849 /nfs/dbraw/zinc/87/08/49/944870849.db2.gz FAPUPVASUGCXFG-UHFFFAOYSA-N 2 0 351.485 3.744 20 0 FHADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1cccc(Cl)c1 ZINC000516454435 944878452 /nfs/dbraw/zinc/87/84/52/944878452.db2.gz PXAOSGXBZOJLDI-FQEVSTJZSA-N 2 0 350.934 3.630 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000518028634 944948177 /nfs/dbraw/zinc/94/81/77/944948177.db2.gz RDIJENOBLAMLMW-KCZVDYSFSA-N 2 0 371.569 3.525 20 0 FHADRP CC[C@](C)(O)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000439769704 944973445 /nfs/dbraw/zinc/97/34/45/944973445.db2.gz OYESNWHONJYNLN-QFIPXVFZSA-N 2 0 364.493 3.739 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000518085492 945006636 /nfs/dbraw/zinc/00/66/36/945006636.db2.gz MOSDIWHTJAYANQ-OALUTQOASA-N 2 0 374.573 3.543 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001205 945015762 /nfs/dbraw/zinc/01/57/62/945015762.db2.gz SZLWCYYAONPDCQ-HZEGPAAWSA-N 2 0 361.574 3.553 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097255 945016695 /nfs/dbraw/zinc/01/66/95/945016695.db2.gz PDJJNWKJZDTZNU-KNKQGSTJSA-N 2 0 355.570 3.928 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000437101225 945020470 /nfs/dbraw/zinc/02/04/70/945020470.db2.gz YNQRWEVSVREIQI-OALUTQOASA-N 2 0 367.537 3.586 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414955341 945044304 /nfs/dbraw/zinc/04/43/04/945044304.db2.gz UCEJMCQYAQVXTF-CRAIPNDOSA-N 2 0 356.514 3.544 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)CC1CCCCC1 ZINC000516602890 945046361 /nfs/dbraw/zinc/04/63/61/945046361.db2.gz DCPUSTCCVKAGGG-UHFFFAOYSA-N 2 0 355.530 3.520 20 0 FHADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440280471 945373559 /nfs/dbraw/zinc/37/35/59/945373559.db2.gz IQRRJAKXKJZCHV-KAGYGMCKSA-N 2 0 369.553 3.563 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427462508 945387947 /nfs/dbraw/zinc/38/79/47/945387947.db2.gz MRGDDZHKGLRHME-UHFFFAOYSA-N 2 0 365.606 3.859 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000543873391 945401469 /nfs/dbraw/zinc/40/14/69/945401469.db2.gz OOICHQMHHBEKBP-QFIPXVFZSA-N 2 0 371.569 3.840 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820412623 945445110 /nfs/dbraw/zinc/44/51/10/945445110.db2.gz MFUHNWWBXXHJPJ-MRXNPFEDSA-N 2 0 368.529 3.562 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415052072 945503904 /nfs/dbraw/zinc/50/39/04/945503904.db2.gz HCUHESTZDTVZPN-VGOFRKELSA-N 2 0 354.494 3.691 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000415019733 945504080 /nfs/dbraw/zinc/50/40/80/945504080.db2.gz IOJCWLYHGVLEOX-MRXNPFEDSA-N 2 0 354.523 3.877 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@H](c2ccccc2)C1 ZINC000415044665 945512267 /nfs/dbraw/zinc/51/22/67/945512267.db2.gz AVDNGDJVAABZFA-UZEBWTFNSA-N 2 0 355.570 3.765 20 0 FHADRP COC(=O)c1sc2ccccc2c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478884 945578347 /nfs/dbraw/zinc/57/83/47/945578347.db2.gz KWXPRBJXXIWRSW-PBHICJAKSA-N 2 0 358.507 3.652 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(F)c(OC)cc2OC)cc1 ZINC000651669411 945580476 /nfs/dbraw/zinc/58/04/76/945580476.db2.gz UCIVYUDLBGMAIS-UHFFFAOYSA-N 2 0 360.473 3.975 20 0 FHADRP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968188 945592894 /nfs/dbraw/zinc/59/28/94/945592894.db2.gz NTYZLOLBNHFVBX-AYHJJNSGSA-N 2 0 365.562 3.675 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C2CC2)c1 ZINC000519655127 945604701 /nfs/dbraw/zinc/60/47/01/945604701.db2.gz LFULUKQNGWKIQN-QGZVFWFLSA-N 2 0 350.510 3.562 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2CNc2cc3c(c[nH+]2)CCC3)CC1 ZINC000550311157 945643573 /nfs/dbraw/zinc/64/35/73/945643573.db2.gz FPOBPQILYLQQCE-UHFFFAOYSA-N 2 0 356.901 3.588 20 0 FHADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000415108854 945664832 /nfs/dbraw/zinc/66/48/32/945664832.db2.gz PHNBUYWMMDOGHW-CVEARBPZSA-N 2 0 369.475 3.648 20 0 FHADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000444023164 945739592 /nfs/dbraw/zinc/73/95/92/945739592.db2.gz JLTPCXHTDDXJFX-UHFFFAOYSA-N 2 0 374.573 3.767 20 0 FHADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110820239 945741012 /nfs/dbraw/zinc/74/10/12/945741012.db2.gz INKZRBDCKHUCNQ-GOSISDBHSA-N 2 0 351.332 3.770 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000111101518 945827931 /nfs/dbraw/zinc/82/79/31/945827931.db2.gz LQENSMUMPIXTLP-NRFANRHFSA-N 2 0 359.558 3.698 20 0 FHADRP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000550097743 945831539 /nfs/dbraw/zinc/83/15/39/945831539.db2.gz SJISNYXXYMEXTQ-QGZVFWFLSA-N 2 0 363.343 3.770 20 0 FHADRP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000550097742 945831959 /nfs/dbraw/zinc/83/19/59/945831959.db2.gz SJISNYXXYMEXTQ-KRWDZBQOSA-N 2 0 363.343 3.770 20 0 FHADRP Cc1cc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc(C(C)C)n1 ZINC000301545322 945839763 /nfs/dbraw/zinc/83/97/63/945839763.db2.gz KYLBKUNISSZJQS-QZTJIDSGSA-N 2 0 360.546 3.624 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651758954 945850724 /nfs/dbraw/zinc/85/07/24/945850724.db2.gz VGYHAMKCCZLTBN-PKOBYXMFSA-N 2 0 374.887 3.823 20 0 FHADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662756815 945889415 /nfs/dbraw/zinc/88/94/15/945889415.db2.gz JVXJNXIFSZLAKH-YYWHXJBOSA-N 2 0 371.569 3.509 20 0 FHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000188114488 945973381 /nfs/dbraw/zinc/97/33/81/945973381.db2.gz OMHQPRDWHLSNLO-FGZHOGPDSA-N 2 0 360.542 3.593 20 0 FHADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000522860639 946009388 /nfs/dbraw/zinc/00/93/88/946009388.db2.gz JAKXTSIMXAIHSO-JOCHJYFZSA-N 2 0 371.569 3.942 20 0 FHADRP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000444173262 946020737 /nfs/dbraw/zinc/02/07/37/946020737.db2.gz UFIALAXIZXAHOS-LJQANCHMSA-N 2 0 353.510 3.975 20 0 FHADRP CCSc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925095480 946045620 /nfs/dbraw/zinc/04/56/20/946045620.db2.gz UJBYIXJDKMXOJO-MSOLQXFVSA-N 2 0 362.583 3.820 20 0 FHADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891769 946065016 /nfs/dbraw/zinc/06/50/16/946065016.db2.gz HWLOVPKQKVEFIS-XQBPLPMBSA-N 2 0 371.569 3.655 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000520044448 946070226 /nfs/dbraw/zinc/07/02/26/946070226.db2.gz SABPQMBMRHOASS-NLWGTHIKSA-N 2 0 351.579 3.514 20 0 FHADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000522893918 946074529 /nfs/dbraw/zinc/07/45/29/946074529.db2.gz ICTYQVALXZJIPS-WIYYLYMNSA-N 2 0 357.542 3.552 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000302038214 946090189 /nfs/dbraw/zinc/09/01/89/946090189.db2.gz MSTLSRMPMJTOQK-LJQANCHMSA-N 2 0 366.553 3.712 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105370 946203796 /nfs/dbraw/zinc/20/37/96/946203796.db2.gz QWACQLUYMCQFBG-XHSDSOJGSA-N 2 0 354.441 3.649 20 0 FHADRP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000595101925 946217662 /nfs/dbraw/zinc/21/76/62/946217662.db2.gz GKLGIIGRDFOQBE-OAQYLSRUSA-N 2 0 356.510 3.562 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCc1cccc2ccccc21 ZINC000441200121 946301264 /nfs/dbraw/zinc/30/12/64/946301264.db2.gz OCADWBLYQNQVTK-AKIFATBCSA-N 2 0 352.522 3.956 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccc3[nH]ccc3c2)CC1 ZINC000441218361 946308972 /nfs/dbraw/zinc/30/89/72/946308972.db2.gz RWURKUIBOPHRFW-UHFFFAOYSA-N 2 0 362.521 3.642 20 0 FHADRP Cc1cc(Cl)cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000520258789 946311857 /nfs/dbraw/zinc/31/18/57/946311857.db2.gz FNXBLECERJMJGV-UHFFFAOYSA-N 2 0 357.929 3.686 20 0 FHADRP CN(c1ccccc1C[NH2+]CCc1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000532358973 946337736 /nfs/dbraw/zinc/33/77/36/946337736.db2.gz KPRYIAGYWDIONG-UHFFFAOYSA-N 2 0 373.491 3.828 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252915 946347530 /nfs/dbraw/zinc/34/75/30/946347530.db2.gz KHVKOWIGHKQKFS-HJNYFJLDSA-N 2 0 374.569 3.937 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252911 946347938 /nfs/dbraw/zinc/34/79/38/946347938.db2.gz KHVKOWIGHKQKFS-FCEUIQTBSA-N 2 0 374.569 3.937 20 0 FHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652150296 946383809 /nfs/dbraw/zinc/38/38/09/946383809.db2.gz RLVXAVCMUOIYMH-JOCHJYFZSA-N 2 0 358.574 3.566 20 0 FHADRP CC(C)C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000475129137 946434486 /nfs/dbraw/zinc/43/44/86/946434486.db2.gz LMULYIZOWSVLGC-OALUTQOASA-N 2 0 373.566 3.844 20 0 FHADRP CSc1cc(Br)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262079542 946437239 /nfs/dbraw/zinc/43/72/39/946437239.db2.gz SWFVLKMNIMCYFP-UHFFFAOYSA-N 2 0 355.345 3.747 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1)c1ccccc1 ZINC000475155150 946499250 /nfs/dbraw/zinc/49/92/50/946499250.db2.gz MHIDOXCWCOENOF-IBGZPJMESA-N 2 0 373.928 3.584 20 0 FHADRP C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475514996 946552658 /nfs/dbraw/zinc/55/26/58/946552658.db2.gz WWLQRHJVZGEUMU-KGVIQGDOSA-N 2 0 369.553 3.550 20 0 FHADRP CCC(=O)N(C)C1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168057377 946561982 /nfs/dbraw/zinc/56/19/82/946561982.db2.gz MQZHPOMRHMQTRH-RTBURBONSA-N 2 0 371.569 3.761 20 0 FHADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410301 946564027 /nfs/dbraw/zinc/56/40/27/946564027.db2.gz LBGFVPSCOQJEAM-PGRDOPGGSA-N 2 0 358.526 3.803 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417357718 946570153 /nfs/dbraw/zinc/57/01/53/946570153.db2.gz HDQSCSCTOBMUQI-YZGWKJHDSA-N 2 0 370.562 3.857 20 0 FHADRP CCn1nc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)c2ccccc21 ZINC000473145663 946651345 /nfs/dbraw/zinc/65/13/45/946651345.db2.gz QUOGVSXMIYOTKG-UHFFFAOYSA-N 2 0 372.557 3.627 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(Cl)c3)cn2)CC1 ZINC000112529244 946670533 /nfs/dbraw/zinc/67/05/33/946670533.db2.gz NZSKOCGEWURYHS-MRXNPFEDSA-N 2 0 358.917 3.728 20 0 FHADRP C[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](C)O[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000661855034 946771413 /nfs/dbraw/zinc/77/14/13/946771413.db2.gz RIMWVXAOULLRIG-ZRNYENFQSA-N 2 0 360.542 3.685 20 0 FHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475279020 946800887 /nfs/dbraw/zinc/80/08/87/946800887.db2.gz IXKMPZFKPRCEQF-FQEVSTJZSA-N 2 0 354.542 3.867 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(Cl)nc1 ZINC000179103258 946822374 /nfs/dbraw/zinc/82/23/74/946822374.db2.gz GIXFABHDWOUIOF-YLJYHZDGSA-N 2 0 372.944 3.764 20 0 FHADRP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000475291516 946830848 /nfs/dbraw/zinc/83/08/48/946830848.db2.gz PJIUPMGQCFRRJM-KRWDZBQOSA-N 2 0 352.507 3.750 20 0 FHADRP C[C@H]1CC2(CN1Cc1cc(Br)cc(F)c1F)CC[NH2+]CC2 ZINC000652341657 946860629 /nfs/dbraw/zinc/86/06/29/946860629.db2.gz BXQLOOBSQJGQEC-NSHDSACASA-N 2 0 359.258 3.691 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCSc3ccc(Cl)cc3)C2)C1 ZINC000652345558 946872357 /nfs/dbraw/zinc/87/23/57/946872357.db2.gz FJAXOLHUVPIPIJ-KYJSFNMBSA-N 2 0 354.947 3.650 20 0 FHADRP C[C@H](CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000475325547 946884448 /nfs/dbraw/zinc/88/44/48/946884448.db2.gz VVQKJFPLNQDRNV-OAQYLSRUSA-N 2 0 374.569 3.806 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349018 946888267 /nfs/dbraw/zinc/88/82/67/946888267.db2.gz ZBEYQMFRYMOGQG-KNKQGSTJSA-N 2 0 367.493 3.592 20 0 FHADRP CC(C)(C)c1cccc(OCCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348336 946891670 /nfs/dbraw/zinc/89/16/70/946891670.db2.gz AKINCVYAMWZISW-RCZSKKKRSA-N 2 0 374.569 3.971 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348393 946892847 /nfs/dbraw/zinc/89/28/47/946892847.db2.gz BVINLWAXGZSNSM-SIUPPRGNSA-N 2 0 367.331 3.728 20 0 FHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182270723 946894214 /nfs/dbraw/zinc/89/42/14/946894214.db2.gz WUDJJKGJOSRKLO-GCJKJVERSA-N 2 0 368.521 3.891 20 0 FHADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976242 946909067 /nfs/dbraw/zinc/90/90/67/946909067.db2.gz LYTBHLWLANSRLV-KSZLIROESA-N 2 0 354.498 3.818 20 0 FHADRP C[C@@H]1CC([N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061727 946929914 /nfs/dbraw/zinc/92/99/14/946929914.db2.gz JCINGIRNVRELJD-HLIPFELVSA-N 2 0 364.480 3.928 20 0 FHADRP O=C(c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000647978152 946933898 /nfs/dbraw/zinc/93/38/98/946933898.db2.gz NISWUIBFNRFNAK-FCHUYYIVSA-N 2 0 369.553 3.524 20 0 FHADRP C[C@@H]1CC([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062626 946975082 /nfs/dbraw/zinc/97/50/82/946975082.db2.gz KRCSZLOGMONKNP-WOJBJXKFSA-N 3 0 355.570 3.846 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)c3ccccc32)CC1 ZINC000520433054 946984064 /nfs/dbraw/zinc/98/40/64/946984064.db2.gz CUFVSHNQRQMSQY-RTWAWAEBSA-N 2 0 358.526 3.880 20 0 FHADRP c1cc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)cs1 ZINC000444597321 947023988 /nfs/dbraw/zinc/02/39/88/947023988.db2.gz ZIKNPCJGOOQJTF-UHFFFAOYSA-N 2 0 356.535 3.959 20 0 FHADRP CCOC(=O)[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168063833 947036576 /nfs/dbraw/zinc/03/65/76/947036576.db2.gz NNUWMWFMYULJDB-QWFCFKBJSA-N 2 0 358.526 3.703 20 0 FHADRP C[NH+](C)C1(CNc2ccnc3cc(Br)ccc32)CCOCC1 ZINC000301322822 947284480 /nfs/dbraw/zinc/28/44/80/947284480.db2.gz UUIPXBYYTJTJAG-UHFFFAOYSA-N 2 0 364.287 3.520 20 0 FHADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000248519138 947293028 /nfs/dbraw/zinc/29/30/28/947293028.db2.gz QITITJXGYQPUJJ-ZIAGYGMSSA-N 2 0 355.320 3.926 20 0 FHADRP O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523611963 947419844 /nfs/dbraw/zinc/41/98/44/947419844.db2.gz KRNGDMZQPOCKPA-JOCHJYFZSA-N 2 0 369.553 3.553 20 0 FHADRP COCCC[NH+]1CCC(NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189123002 947616058 /nfs/dbraw/zinc/61/60/58/947616058.db2.gz MGQFNYIQQMMYQE-UHFFFAOYSA-N 2 0 364.839 3.949 20 0 FHADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000523838766 947659945 /nfs/dbraw/zinc/65/99/45/947659945.db2.gz IPJYGKMVYIXFAE-SIKLNZKXSA-N 2 0 371.569 3.839 20 0 FHADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251644 947674437 /nfs/dbraw/zinc/67/44/37/947674437.db2.gz HBEKNYPFGFYTSC-SUMWQHHRSA-N 2 0 354.416 3.752 20 0 FHADRP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662256643 947675598 /nfs/dbraw/zinc/67/55/98/947675598.db2.gz MOKORSSJZSTFFN-LJQANCHMSA-N 2 0 352.453 3.566 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000662280930 947701262 /nfs/dbraw/zinc/70/12/62/947701262.db2.gz IEOSVKIUZCPYJN-WMZOPIPTSA-N 2 0 354.947 3.650 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286947 947710182 /nfs/dbraw/zinc/71/01/82/947710182.db2.gz URDNNWXVNCLWDK-LESCRADOSA-N 2 0 354.947 3.650 20 0 FHADRP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1F ZINC000662291042 947712267 /nfs/dbraw/zinc/71/22/67/947712267.db2.gz NNLIUIMKXIZSNI-QAPCUYQASA-N 2 0 372.488 3.957 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662290902 947712622 /nfs/dbraw/zinc/71/26/22/947712622.db2.gz MTQHIFILECUPFK-AZUAARDMSA-N 2 0 357.542 3.650 20 0 FHADRP O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000662294712 947718187 /nfs/dbraw/zinc/71/81/87/947718187.db2.gz LRNIVXFYJSXYJH-AWEZNQCLSA-N 2 0 370.324 3.644 20 0 FHADRP O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000662294792 947718315 /nfs/dbraw/zinc/71/83/15/947718315.db2.gz NJRYJMDHJNACCM-CQSZACIVSA-N 2 0 370.324 3.644 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297826 947719828 /nfs/dbraw/zinc/71/98/28/947719828.db2.gz SIDPVTWAWVAJTD-RDJZCZTQSA-N 2 0 363.933 3.687 20 0 FHADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295758 947722275 /nfs/dbraw/zinc/72/22/75/947722275.db2.gz SQHVAUCVSFNTFZ-GOSISDBHSA-N 2 0 357.542 3.634 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295798 947722966 /nfs/dbraw/zinc/72/29/66/947722966.db2.gz UMPUJROHPVGDMA-UYAOXDASSA-N 2 0 357.542 3.650 20 0 FHADRP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324339 947751145 /nfs/dbraw/zinc/75/11/45/947751145.db2.gz VLTGHVDQDDGPCR-CRAIPNDOSA-N 2 0 358.448 3.852 20 0 FHADRP Cc1cc(C)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327171 947752366 /nfs/dbraw/zinc/75/23/66/947752366.db2.gz DYKPFBKOTISVNG-UHFFFAOYSA-N 2 0 352.526 3.873 20 0 FHADRP Fc1cc(F)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327817 947758591 /nfs/dbraw/zinc/75/85/91/947758591.db2.gz VXTQAPGYIWRYID-UHFFFAOYSA-N 2 0 360.452 3.535 20 0 FHADRP Cc1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c(C)s1 ZINC000662327356 947759774 /nfs/dbraw/zinc/75/97/74/947759774.db2.gz OHPDRBVHKWXJGL-UHFFFAOYSA-N 2 0 358.555 3.935 20 0 FHADRP Fc1cccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000663344099 947806977 /nfs/dbraw/zinc/80/69/77/947806977.db2.gz OCNNEDAYAPAOFU-CQSZACIVSA-N 2 0 355.295 3.800 20 0 FHADRP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345279 947814638 /nfs/dbraw/zinc/81/46/38/947814638.db2.gz HVKAUAQJSDDXLX-INIZCTEOSA-N 2 0 358.917 3.942 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)c2cccc3c2C[NH2+]C3)CCCC1)c1ccccc1 ZINC000662452735 947823741 /nfs/dbraw/zinc/82/37/41/947823741.db2.gz WHSPNSQOOMKAAK-QGZVFWFLSA-N 2 0 363.505 3.683 20 0 FHADRP CCCC(=O)NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662466364 947836260 /nfs/dbraw/zinc/83/62/60/947836260.db2.gz VSRRARHYDMEWJR-UHFFFAOYSA-N 2 0 357.542 3.553 20 0 FHADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc21 ZINC000662525796 947888530 /nfs/dbraw/zinc/88/85/30/947888530.db2.gz XIHXAXPGVNAPPC-FQEVSTJZSA-N 2 0 363.505 3.913 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549613584 948030281 /nfs/dbraw/zinc/03/02/81/948030281.db2.gz HBXAATWOHCSJDL-NWVWQQAFSA-N 2 0 364.533 3.925 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467955 948060779 /nfs/dbraw/zinc/06/07/79/948060779.db2.gz IYGDNDIRDAHZJI-WBVHZDCISA-N 2 0 355.526 3.689 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469280 948061984 /nfs/dbraw/zinc/06/19/84/948061984.db2.gz PMCAOHIRVSFWFP-NVXWUHKLSA-N 2 0 363.933 3.769 20 0 FHADRP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167824723 948112812 /nfs/dbraw/zinc/11/28/12/948112812.db2.gz FYNACJUCYUTTLM-QZTJIDSGSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001167825127 948117670 /nfs/dbraw/zinc/11/76/70/948117670.db2.gz REEUMSFYJNSTEP-OALUTQOASA-N 2 0 363.594 3.610 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827023 948134621 /nfs/dbraw/zinc/13/46/21/948134621.db2.gz RLILMRDYTXAXTK-XLIONFOSSA-N 2 0 363.571 3.687 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827022 948134948 /nfs/dbraw/zinc/13/49/48/948134948.db2.gz RLILMRDYTXAXTK-PXNSSMCTSA-N 2 0 363.571 3.687 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512004703 948158974 /nfs/dbraw/zinc/15/89/74/948158974.db2.gz BHVZWEARVMFAIT-STQMWFEESA-N 2 0 363.365 3.826 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC000512007735 948168795 /nfs/dbraw/zinc/16/87/95/948168795.db2.gz KLSYBVKKXDKXKH-UPHRSURJSA-N 2 0 372.459 3.725 20 0 FHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000520500708 948189048 /nfs/dbraw/zinc/18/90/48/948189048.db2.gz XCEZHTGUDHDXLF-PMACEKPBSA-N 2 0 368.924 3.769 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001167833372 948221543 /nfs/dbraw/zinc/22/15/43/948221543.db2.gz AKZXWTWWXJFQTN-MRXNPFEDSA-N 2 0 352.519 3.655 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167833403 948223222 /nfs/dbraw/zinc/22/32/22/948223222.db2.gz AYABVCCZXHWWGR-QZTJIDSGSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001167833782 948238373 /nfs/dbraw/zinc/23/83/73/948238373.db2.gz FDXNKPPQMWCBNO-HKUYNNGSSA-N 2 0 358.530 3.619 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001167834063 948246173 /nfs/dbraw/zinc/24/61/73/948246173.db2.gz HDTWOCAVKCGSMU-KSZLIROESA-N 2 0 355.567 3.875 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000236910070 948299877 /nfs/dbraw/zinc/29/98/77/948299877.db2.gz HKJNCKPWVQIZBC-UHFFFAOYSA-N 2 0 357.464 3.645 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001167836762 948307591 /nfs/dbraw/zinc/30/75/91/948307591.db2.gz GUVAMEDDRGKKRW-NQIIRXRSSA-N 2 0 373.585 3.839 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1[C@H](C(N)=O)c1ccccc1 ZINC001167836816 948307961 /nfs/dbraw/zinc/30/79/61/948307961.db2.gz HPXTUTHVFYEXKK-SESVDKBCSA-N 2 0 359.558 3.621 20 0 FHADRP CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H](C)CCC[NH+](CC)CC ZINC001167839841 948323010 /nfs/dbraw/zinc/32/30/10/948323010.db2.gz CDLFKNCJAOBKGU-RTBURBONSA-N 2 0 358.567 3.567 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001167840408 948336189 /nfs/dbraw/zinc/33/61/89/948336189.db2.gz GGMGZINNHDLRPV-BZSNNMDCSA-N 2 0 355.567 3.732 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001167841863 948366965 /nfs/dbraw/zinc/36/69/65/948366965.db2.gz SPXAFVIJXIFTLL-PMVMPFDFSA-N 3 0 357.586 3.951 20 0 FHADRP C[C@H]1C[N@H+](CCCN[C@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422266 948383936 /nfs/dbraw/zinc/38/39/36/948383936.db2.gz DDNOELNRJKVQSH-YJBOKZPZSA-N 2 0 352.906 3.644 20 0 FHADRP CCc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cn1 ZINC000512113450 948452947 /nfs/dbraw/zinc/45/29/47/948452947.db2.gz CVCVIDNLPNDDLO-UHFFFAOYSA-N 2 0 366.553 3.644 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000520655023 948508212 /nfs/dbraw/zinc/50/82/12/948508212.db2.gz YNJCUNIYXBPCQI-RBUKOAKNSA-N 2 0 374.573 3.591 20 0 FHADRP C[C@H]1CC([NH2+]CCNC(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005984 948549106 /nfs/dbraw/zinc/54/91/06/948549106.db2.gz LXYCOMUPURKJJA-IRXDYDNUSA-N 2 0 361.530 3.542 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000512182834 948710676 /nfs/dbraw/zinc/71/06/76/948710676.db2.gz SYNAHFROFROEBM-HOTGVXAUSA-N 2 0 360.473 3.893 20 0 FHADRP COc1ccccc1/C=C/C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512187488 948737035 /nfs/dbraw/zinc/73/70/35/948737035.db2.gz QEGILXJCQOMDEQ-HZJMMZBYSA-N 2 0 358.526 3.530 20 0 FHADRP CC(C)[N@H+](C)CCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000221923432 567989814 /nfs/dbraw/zinc/98/98/14/567989814.db2.gz MDYQNDWSQRSRBQ-MRXNPFEDSA-N 2 0 355.320 3.983 20 0 FHADRP COc1cccc(CN(C)CC(C)C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000603823721 568150335 /nfs/dbraw/zinc/15/03/35/568150335.db2.gz RCSUATUSIYXWFV-UHFFFAOYSA-N 2 0 356.510 3.904 20 0 FHADRP CC(=O)Nc1ccccc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000311887056 568178000 /nfs/dbraw/zinc/17/80/00/568178000.db2.gz COQZWCCHRIDGDO-JOCHJYFZSA-N 2 0 351.494 3.647 20 0 FHADRP Cc1cccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000522783931 568186878 /nfs/dbraw/zinc/18/68/78/568186878.db2.gz JDBMBRPGOMNTMK-QFIPXVFZSA-N 2 0 371.569 3.901 20 0 FHADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000563134469 568266543 /nfs/dbraw/zinc/26/65/43/568266543.db2.gz CTAINVXFDFLGMB-RTWAWAEBSA-N 2 0 361.599 3.648 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135862 568274519 /nfs/dbraw/zinc/27/45/19/568274519.db2.gz VLNCUCRQCLVIJF-DLBZAZTESA-N 2 0 357.523 3.640 20 0 FHADRP C[C@H](CCCC(F)(F)F)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390838908 568309495 /nfs/dbraw/zinc/30/94/95/568309495.db2.gz BFHONFBCIWIXOU-QGZVFWFLSA-N 2 0 357.464 3.515 20 0 FHADRP Cc1cc(C)[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164704329 719886595 /nfs/dbraw/zinc/88/65/95/719886595.db2.gz VIVCEWAZBXPOBV-UHFFFAOYSA-N 2 0 357.523 3.631 20 0 FHADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237888918 936328017 /nfs/dbraw/zinc/32/80/17/936328017.db2.gz MRULWJFWHXOMNR-FRIKZZABSA-N 2 0 369.553 3.600 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167965469 945063915 /nfs/dbraw/zinc/06/39/15/945063915.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 2 0 365.565 3.502 20 0 FHADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208105750 927449771 /nfs/dbraw/zinc/44/97/71/927449771.db2.gz BHEZUKNLCXDJNH-NRFANRHFSA-N 2 0 365.562 3.584 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547179 927458992 /nfs/dbraw/zinc/45/89/92/927458992.db2.gz AQQZJAFYNLQNNA-IUODEOHRSA-N 2 0 355.295 3.784 20 0 FHADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000583142201 937166999 /nfs/dbraw/zinc/16/69/99/937166999.db2.gz GYUMXCCHZPYSFG-RXVVDRJESA-N 2 0 357.542 3.586 20 0 FHADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(C4CCCCC4)cc3)C2)nn1 ZINC000579818115 927968506 /nfs/dbraw/zinc/96/85/06/927968506.db2.gz LUYBLBZPODQNQD-NRFANRHFSA-N 2 0 353.514 3.622 20 0 FHADRP CCN1CC[C@@H](NCCC[NH+](CC)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000583207467 937238185 /nfs/dbraw/zinc/23/81/85/937238185.db2.gz QZXDDAMEYCQERC-IEBWSBKVSA-N 2 0 357.464 3.561 20 0 FHADRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC[C@H](C)CC(C)(C)C)CC2)C1 ZINC001208665944 928377331 /nfs/dbraw/zinc/37/73/31/928377331.db2.gz SUHSFOHJZMVUOR-ROUUACIJSA-N 2 0 352.563 3.798 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170465 928458306 /nfs/dbraw/zinc/45/83/06/928458306.db2.gz FGJBNJGFXOAVHK-BBRMVZONSA-N 2 0 370.324 3.786 20 0 FHADRP C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131291 928920389 /nfs/dbraw/zinc/92/03/89/928920389.db2.gz QTRBPGKSMKEAJP-SJBKTWHCSA-N 2 0 371.569 3.668 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000109301343 929004870 /nfs/dbraw/zinc/00/48/70/929004870.db2.gz WJUMICTYJRAVFQ-HXUWFJFHSA-N 2 0 369.509 3.688 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000109301341 929005325 /nfs/dbraw/zinc/00/53/25/929005325.db2.gz WJUMICTYJRAVFQ-FQEVSTJZSA-N 2 0 369.509 3.688 20 0 FHADRP CC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274901774 929009283 /nfs/dbraw/zinc/00/92/83/929009283.db2.gz LKALYWICMLYAOE-GCJKJVERSA-N 2 0 365.521 3.688 20 0 FHADRP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274901773 929009535 /nfs/dbraw/zinc/00/95/35/929009535.db2.gz LKALYWICMLYAOE-AVRDEDQJSA-N 2 0 365.521 3.688 20 0 FHADRP C[C@@H]1C[N@H+](CC2CCC(c3ccccc3)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000547740532 929169454 /nfs/dbraw/zinc/16/94/54/929169454.db2.gz CBWNALJRXIGAPB-UEGSCFCSSA-N 2 0 369.597 3.918 20 0 FHADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000261827505 937311197 /nfs/dbraw/zinc/31/11/97/937311197.db2.gz XEVVVPNBEFUGDM-UHFFFAOYSA-N 2 0 358.313 3.644 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180131387 929379133 /nfs/dbraw/zinc/37/91/33/929379133.db2.gz HWUCCMSUVPOKQL-UWJYYQICSA-N 2 0 358.505 3.750 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180118936 929380110 /nfs/dbraw/zinc/38/01/10/929380110.db2.gz WHDWETHRCDWOEB-QGZVFWFLSA-N 2 0 373.491 3.670 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000180235635 929426638 /nfs/dbraw/zinc/42/66/38/929426638.db2.gz UQBODDAPIZBTET-QFIPXVFZSA-N 2 0 352.522 3.645 20 0 FHADRP CC(C)(C)OC1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000092454409 937335325 /nfs/dbraw/zinc/33/53/25/937335325.db2.gz OLGNJGGDJHOOKL-UHFFFAOYSA-N 2 0 360.542 3.941 20 0 FHADRP C[C@@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000180438532 929511325 /nfs/dbraw/zinc/51/13/25/929511325.db2.gz YJCATDVJGQFEGX-KRWDZBQOSA-N 2 0 373.491 3.527 20 0 FHADRP c1cnc2nc(C3CC[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC3)ccc2c1 ZINC000655948372 929783447 /nfs/dbraw/zinc/78/34/47/929783447.db2.gz YUDLILDWIVOUEX-UHFFFAOYSA-N 2 0 358.489 3.655 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123210856 929897909 /nfs/dbraw/zinc/89/79/09/929897909.db2.gz BJMGYQONWRCKMJ-KRWDZBQOSA-N 2 0 355.526 3.745 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844219 929995229 /nfs/dbraw/zinc/99/52/29/929995229.db2.gz PBSYWDRGKHNLES-JTSKRJEESA-N 2 0 356.510 3.574 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]Cc2cncn2C)c2ccc(F)cc2)CC1 ZINC000291251761 930019520 /nfs/dbraw/zinc/01/95/20/930019520.db2.gz PKTLPTGRFFNWTP-NRFANRHFSA-N 2 0 358.505 3.902 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000162941507 937382975 /nfs/dbraw/zinc/38/29/75/937382975.db2.gz SHIOJFWVIAUFBM-SFHVURJKSA-N 2 0 361.493 3.714 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000583375507 937392130 /nfs/dbraw/zinc/39/21/30/937392130.db2.gz QVZSBHHEKDRYPX-BZUAXINKSA-N 2 0 354.441 3.697 20 0 FHADRP Cc1ccccc1[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000160363274 930225579 /nfs/dbraw/zinc/22/55/79/930225579.db2.gz BUHYMBLJAGAIFZ-HSZRJFAPSA-N 2 0 352.522 3.872 20 0 FHADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099476 930247402 /nfs/dbraw/zinc/24/74/02/930247402.db2.gz IABBVWVVQHTCGL-GOSISDBHSA-N 2 0 370.324 3.740 20 0 FHADRP COc1ccc([C@H](CC(C)C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000647289796 937401940 /nfs/dbraw/zinc/40/19/40/937401940.db2.gz KGYKBTCEYWEGTC-GCJKJVERSA-N 2 0 360.542 3.873 20 0 FHADRP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCC2 ZINC000639304234 930368817 /nfs/dbraw/zinc/36/88/17/930368817.db2.gz QXGCIYBAUCRYHF-WOJBJXKFSA-N 2 0 364.574 3.593 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000471604662 930955826 /nfs/dbraw/zinc/95/58/26/930955826.db2.gz YTQARJBHJXUSRE-DYVFJYSZSA-N 2 0 356.341 3.596 20 0 FHADRP C[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CCS[C@@H](C)CC3)c2)CCS1 ZINC000580695726 931024031 /nfs/dbraw/zinc/02/40/31/931024031.db2.gz SVDLWQXOIDZMJT-IRXDYDNUSA-N 2 0 365.612 3.736 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993999 931235162 /nfs/dbraw/zinc/23/51/62/931235162.db2.gz MONGDEBTTKTVFE-KNQAVFIVSA-N 2 0 360.505 3.873 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000580895045 931309624 /nfs/dbraw/zinc/30/96/24/931309624.db2.gz PGDMEQATRLRSIZ-NQIIRXRSSA-N 2 0 357.542 3.580 20 0 FHADRP c1ncc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407195 931603072 /nfs/dbraw/zinc/60/30/72/931603072.db2.gz RASLDCXDNNYIKD-VMXMFDLUSA-N 2 0 353.535 3.528 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000581132917 931604476 /nfs/dbraw/zinc/60/44/76/931604476.db2.gz RRNLVFRTWNCTSB-KRWDZBQOSA-N 2 0 361.283 3.911 20 0 FHADRP C[NH+](C)CCCOc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC000684164087 931690815 /nfs/dbraw/zinc/69/08/15/931690815.db2.gz RUNIIQWICYRATJ-UHFFFAOYSA-N 2 0 361.530 3.610 20 0 FHADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510370080 931697517 /nfs/dbraw/zinc/69/75/17/931697517.db2.gz UZFIOPKDDJPVQJ-UHFFFAOYSA-N 2 0 370.928 3.523 20 0 FHADRP Oc1ccc(F)c(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1F ZINC000510369824 931703173 /nfs/dbraw/zinc/70/31/73/931703173.db2.gz SAQQDMXFXIZCGO-UHFFFAOYSA-N 2 0 352.450 3.734 20 0 FHADRP CSC1(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)CC[NH+](C)CC1 ZINC000581376783 931919507 /nfs/dbraw/zinc/91/95/07/931919507.db2.gz CUYMEGIDYGXLSL-UHFFFAOYSA-N 2 0 372.582 3.913 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430583278 931957434 /nfs/dbraw/zinc/95/74/34/931957434.db2.gz XJMGZMULRUZDDW-MSOLQXFVSA-N 2 0 367.537 3.727 20 0 FHADRP C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163156 931973883 /nfs/dbraw/zinc/97/38/83/931973883.db2.gz YTSGAYONLOXJHK-CUWPLCDZSA-N 2 0 357.567 3.851 20 0 FHADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(Cl)c1OC ZINC000656786557 932417673 /nfs/dbraw/zinc/41/76/73/932417673.db2.gz UKCRKSBVRMLBMV-MRXNPFEDSA-N 2 0 352.906 3.569 20 0 FHADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1OC(F)F ZINC000656786224 932418313 /nfs/dbraw/zinc/41/83/13/932418313.db2.gz QBHPVDLMUZCBAX-HNNXBMFYSA-N 2 0 354.441 3.508 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785259 932420544 /nfs/dbraw/zinc/42/05/44/932420544.db2.gz GITMZLVNSHPBFW-OAQYLSRUSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC(F)F ZINC000656786912 932426094 /nfs/dbraw/zinc/42/60/94/932426094.db2.gz XPWIRWZUBCZDLA-INIZCTEOSA-N 2 0 354.441 3.508 20 0 FHADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000647171290 932429175 /nfs/dbraw/zinc/42/91/75/932429175.db2.gz DXPXFXBMQPQLCU-IAGOWNOFSA-N 2 0 358.530 3.836 20 0 FHADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000647171291 932429429 /nfs/dbraw/zinc/42/94/29/932429429.db2.gz DXPXFXBMQPQLCU-IRXDYDNUSA-N 2 0 358.530 3.836 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684377363 932476140 /nfs/dbraw/zinc/47/61/40/932476140.db2.gz KZOHDIZXCAWLCJ-UHOSZYNNSA-N 2 0 363.521 3.576 20 0 FHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000581726147 932559360 /nfs/dbraw/zinc/55/93/60/932559360.db2.gz BMTXUBLSLRLLNK-IRXDYDNUSA-N 2 0 364.468 3.848 20 0 FHADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411342 932588259 /nfs/dbraw/zinc/58/82/59/932588259.db2.gz KECLYCQEFZIMSS-QAPCUYQASA-N 2 0 356.432 3.934 20 0 FHADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000083171284 932894336 /nfs/dbraw/zinc/89/43/36/932894336.db2.gz PDMWVJGSWIPMRF-UHFFFAOYSA-N 2 0 371.447 3.840 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H](C[NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000430737566 933190015 /nfs/dbraw/zinc/19/00/15/933190015.db2.gz ISBQWTGWOLNUHN-WIYYLYMNSA-N 2 0 365.521 3.509 20 0 FHADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000430742142 933192836 /nfs/dbraw/zinc/19/28/36/933192836.db2.gz NUXJVOQJVGJWAY-NAQMCUANSA-N 2 0 369.553 3.596 20 0 FHADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000430742140 933192906 /nfs/dbraw/zinc/19/29/06/933192906.db2.gz NUXJVOQJVGJWAY-DSBNJHONSA-N 2 0 369.553 3.596 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCSCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000430755738 933208820 /nfs/dbraw/zinc/20/88/20/933208820.db2.gz RNKWNAKPRHKDCW-RTBURBONSA-N 2 0 362.583 3.741 20 0 FHADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[C@@H]1c1cccs1 ZINC000430812230 933247348 /nfs/dbraw/zinc/24/73/48/933247348.db2.gz VCFBTMRXMWLFKC-YWTNHNAXSA-N 2 0 363.571 3.545 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548388766 933291937 /nfs/dbraw/zinc/29/19/37/933291937.db2.gz TUMXTJPSFCXYSV-WOJBJXKFSA-N 2 0 363.590 3.754 20 0 FHADRP CSc1cc(Br)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430908170 933392462 /nfs/dbraw/zinc/39/24/62/933392462.db2.gz HOKINLPTXUTGHI-UHFFFAOYSA-N 2 0 355.345 3.747 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000430924037 933421694 /nfs/dbraw/zinc/42/16/94/933421694.db2.gz HOMAWKLVYNIDPZ-AVGNSLFASA-N 2 0 372.340 3.618 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000430961756 933507540 /nfs/dbraw/zinc/50/75/40/933507540.db2.gz OSFBTKSZTZUQPZ-LBPRGKRZSA-N 2 0 364.287 3.663 20 0 FHADRP CCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431031800 933714903 /nfs/dbraw/zinc/71/49/03/933714903.db2.gz DFZZCRXGUAQONE-JQVVWYNYSA-N 2 0 371.569 3.696 20 0 FHADRP Brc1cc2cccnc2c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431042972 933739700 /nfs/dbraw/zinc/73/97/00/933739700.db2.gz NFGVUTJUBDVFAB-UHFFFAOYSA-N 2 0 360.299 3.573 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000132304390 934033860 /nfs/dbraw/zinc/03/38/60/934033860.db2.gz OILMLEXMBGKOLW-KDOFPFPSSA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)N1CC[NH+](C)CC1 ZINC000132457022 934056386 /nfs/dbraw/zinc/05/63/86/934056386.db2.gz CIHHHLLBIVNRSL-UAGQMJEPSA-N 2 0 353.601 3.535 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000092587414 934099096 /nfs/dbraw/zinc/09/90/96/934099096.db2.gz ZYSZEEFIGHWBOG-HOTGVXAUSA-N 2 0 365.587 3.762 20 0 FHADRP COc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000548483586 934132501 /nfs/dbraw/zinc/13/25/01/934132501.db2.gz RBPPDWYWVHXIDN-GHTZIAJQSA-N 2 0 368.521 3.747 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734938 934168700 /nfs/dbraw/zinc/16/87/00/934168700.db2.gz UBMUKEKRHUCCRL-UHFFFAOYSA-N 2 0 368.521 3.925 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236629850 934755468 /nfs/dbraw/zinc/75/54/68/934755468.db2.gz JFNCQZWYBLTUFV-WOJBJXKFSA-N 2 0 371.569 3.561 20 0 FHADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000236634126 934756004 /nfs/dbraw/zinc/75/60/04/934756004.db2.gz IDEJKLSVRQYHPE-QFIPXVFZSA-N 2 0 365.521 3.625 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000181670562 934797546 /nfs/dbraw/zinc/79/75/46/934797546.db2.gz LAYOLGSQJDATEP-DWLFOUALSA-N 2 0 371.569 3.839 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccc(F)c2)c1)C1CCOCC1 ZINC000102781538 934892742 /nfs/dbraw/zinc/89/27/42/934892742.db2.gz VLLKLTQZPGABSH-UHFFFAOYSA-N 2 0 372.484 3.605 20 0 FHADRP c1cc(CNCC2([NH+]3CCCCC3)CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657288934 934948768 /nfs/dbraw/zinc/94/87/68/934948768.db2.gz HWMQRAPPNVVXLS-UHFFFAOYSA-N 2 0 353.514 3.546 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000236886023 934984412 /nfs/dbraw/zinc/98/44/12/934984412.db2.gz JYDBNYLCRCNGKJ-UWJYYQICSA-N 2 0 369.509 3.682 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657308342 935070950 /nfs/dbraw/zinc/07/09/50/935070950.db2.gz QRSJJRSVMWSAKY-UHFFFAOYSA-N 2 0 357.567 3.922 20 0 FHADRP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537970684 935072637 /nfs/dbraw/zinc/07/26/37/935072637.db2.gz HJQSDFUFWJGKGI-IBGZPJMESA-N 2 0 357.542 3.737 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657310832 935098709 /nfs/dbraw/zinc/09/87/09/935098709.db2.gz GNNIGOVGHTZNBV-QGZVFWFLSA-N 2 0 352.526 3.962 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657312148 935100676 /nfs/dbraw/zinc/10/06/76/935100676.db2.gz DNIYECRHHCNNPW-QZTJIDSGSA-N 2 0 352.526 3.597 20 0 FHADRP COc1ccsc1[C@@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000472128570 935108947 /nfs/dbraw/zinc/10/89/47/935108947.db2.gz QZEFWJYBOXJVBC-GOSISDBHSA-N 2 0 373.566 3.615 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657311850 935112454 /nfs/dbraw/zinc/11/24/54/935112454.db2.gz XBUQUQRFGHIBOC-ZDUSSCGKSA-N 2 0 358.299 3.585 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657313135 935116349 /nfs/dbraw/zinc/11/63/49/935116349.db2.gz FXUOTGJFNKEMCM-QZTJIDSGSA-N 2 0 352.526 3.597 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657312502 935130430 /nfs/dbraw/zinc/13/04/30/935130430.db2.gz KBETUFGQEYKUIS-OKILXGFUSA-N 2 0 372.326 3.831 20 0 FHADRP C[C@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824966 945081019 /nfs/dbraw/zinc/08/10/19/945081019.db2.gz ACDIUJXCTIGTPI-SBUREZEXSA-N 2 0 366.505 3.780 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000582050970 935177321 /nfs/dbraw/zinc/17/73/21/935177321.db2.gz SOCCRGYWWJMISX-APWZRJJASA-N 2 0 372.538 3.672 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000157949086 935234726 /nfs/dbraw/zinc/23/47/26/935234726.db2.gz DXRTZXGLGRWHBT-HGCBZUSOSA-N 2 0 369.553 3.921 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000472163359 935257097 /nfs/dbraw/zinc/25/70/97/935257097.db2.gz YTYHFYSGZYUAFU-GOSISDBHSA-N 2 0 355.501 3.608 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)CC1 ZINC000657349186 935308984 /nfs/dbraw/zinc/30/89/84/935308984.db2.gz FKZDJMXSPALSMU-UHFFFAOYSA-N 2 0 367.518 3.543 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000516653566 945099879 /nfs/dbraw/zinc/09/98/79/945099879.db2.gz KEKMKVURZDKNOX-IBGZPJMESA-N 2 0 363.590 3.789 20 0 FHADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)[nH]c2c1 ZINC000657389021 935504469 /nfs/dbraw/zinc/50/44/69/935504469.db2.gz IPDICNKCABZIIH-UHFFFAOYSA-N 2 0 363.505 3.723 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000684837546 935592360 /nfs/dbraw/zinc/59/23/60/935592360.db2.gz KLVRCAAQCDTIPR-JTSKRJEESA-N 2 0 367.537 3.944 20 0 FHADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000582443124 935714804 /nfs/dbraw/zinc/71/48/04/935714804.db2.gz ZXDDCWGQDZSJPX-WJDWOHSUSA-N 2 0 370.459 3.934 20 0 FHADRP CCCn1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657433248 935723435 /nfs/dbraw/zinc/72/34/35/935723435.db2.gz YSLFWZBNSNLDQO-ILWGZMRPSA-N 2 0 352.526 3.683 20 0 FHADRP CCc1[nH+]c2ccccc2c(NCC2([NH+]3CCCC3)CCOCC2)c1C ZINC000684889940 935762396 /nfs/dbraw/zinc/76/23/96/935762396.db2.gz JNNFOOQDIXDODU-UHFFFAOYSA-N 2 0 353.510 3.584 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)C1CC[NH+](C)CC1 ZINC000125215224 935798541 /nfs/dbraw/zinc/79/85/41/935798541.db2.gz DEQMNPMVYSAATK-SFHVURJKSA-N 2 0 362.521 3.905 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1)C1CC1 ZINC000511149767 935801656 /nfs/dbraw/zinc/80/16/56/935801656.db2.gz DQICNYIXNJKGCV-QFIPXVFZSA-N 2 0 365.521 3.704 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000657500467 935879621 /nfs/dbraw/zinc/87/96/21/935879621.db2.gz OLEAAUBINCOBHN-ZEYPLWLESA-N 2 0 368.521 3.535 20 0 FHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000582635766 935895013 /nfs/dbraw/zinc/89/50/13/935895013.db2.gz CENHDYVWPYQLOF-HOTGVXAUSA-N 2 0 366.571 3.613 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000684953432 935898382 /nfs/dbraw/zinc/89/83/82/935898382.db2.gz NAXMANRUOQDPNI-OAQYLSRUSA-N 2 0 353.510 3.969 20 0 FHADRP COCc1cccc(OCC2(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000262140236 935900237 /nfs/dbraw/zinc/90/02/37/935900237.db2.gz PNZIGHDWGHFTPZ-YOFSQIOKSA-N 2 0 358.526 3.597 20 0 FHADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000657534612 935973319 /nfs/dbraw/zinc/97/33/19/935973319.db2.gz BGNLNSFXBMINHY-UHFFFAOYSA-N 2 0 374.422 3.825 20 0 FHADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)c1 ZINC000657537858 935979564 /nfs/dbraw/zinc/97/95/64/935979564.db2.gz UZGYMBVLCNFGIS-CTNGQTDRSA-N 2 0 357.542 3.588 20 0 FHADRP COc1cc(C[NH2+][C@H](C)Cn2ccnc2)ccc1OCc1cccs1 ZINC000075784381 936019529 /nfs/dbraw/zinc/01/95/29/936019529.db2.gz LODFGOGWSOSBEM-OAHLLOKOSA-N 2 0 357.479 3.711 20 0 FHADRP COCC1(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC[NH2+]CC1 ZINC000414960744 945142213 /nfs/dbraw/zinc/14/22/13/945142213.db2.gz UNEOAZYOXRVIGF-UHFFFAOYSA-N 2 0 372.484 3.511 20 0 FHADRP C[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594923 936075554 /nfs/dbraw/zinc/07/55/54/936075554.db2.gz FJMKGPVMBUDJMZ-IERDGZPVSA-N 2 0 358.913 3.800 20 0 FHADRP C[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594925 936075834 /nfs/dbraw/zinc/07/58/34/936075834.db2.gz FJMKGPVMBUDJMZ-IIBYNOLFSA-N 2 0 358.913 3.800 20 0 FHADRP CC(C)Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596734 936079518 /nfs/dbraw/zinc/07/95/18/936079518.db2.gz YHUFRJLLVIGJJX-HSZRJFAPSA-N 2 0 352.522 3.742 20 0 FHADRP C[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000237491295 936089148 /nfs/dbraw/zinc/08/91/48/936089148.db2.gz VWQMVXUEFANYCW-UGKGYDQZSA-N 2 0 371.569 3.705 20 0 FHADRP Fc1ccc2nc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)sc2c1 ZINC000657613985 936100070 /nfs/dbraw/zinc/10/00/70/936100070.db2.gz ZYGXLMJHJFVFPL-UHFFFAOYSA-N 2 0 370.497 3.832 20 0 FHADRP Cn1ccnc1C[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccccc1 ZINC000657648464 936151612 /nfs/dbraw/zinc/15/16/12/936151612.db2.gz LENKQMYZMDFZAA-QZTJIDSGSA-N 2 0 368.506 3.802 20 0 FHADRP CCOC(=O)c1cc2c(cc(C)[nH+]c2N2C(C)(C)CC([NH3+])CC2(C)C)n1C ZINC001167625182 936191279 /nfs/dbraw/zinc/19/12/79/936191279.db2.gz GEQHVJPIHICSGU-UHFFFAOYSA-N 2 0 372.513 3.543 20 0 FHADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)cc1F ZINC000582840878 936201697 /nfs/dbraw/zinc/20/16/97/936201697.db2.gz OPZWVSXZKAAJRN-QFIPXVFZSA-N 2 0 366.480 3.734 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncc(F)c3)CC2)cc1 ZINC000120684103 936245082 /nfs/dbraw/zinc/24/50/82/936245082.db2.gz NDECMAQJYKFVOW-MRXNPFEDSA-N 2 0 357.473 3.792 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000472288337 938265283 /nfs/dbraw/zinc/26/52/83/938265283.db2.gz VFWNQTMZNPKSSH-IBGZPJMESA-N 2 0 357.498 3.583 20 0 FHADRP O=C(c1ccoc1)N1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000156697344 938279990 /nfs/dbraw/zinc/27/99/90/938279990.db2.gz RTWXZVPBUBBAKY-UHFFFAOYSA-N 2 0 373.541 3.663 20 0 FHADRP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705324 938282979 /nfs/dbraw/zinc/28/29/79/938282979.db2.gz DLZLWELYHIFQMA-NJNPRVFISA-N 2 0 354.494 3.567 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc(C)c1OC(F)F ZINC000650705795 938284241 /nfs/dbraw/zinc/28/42/41/938284241.db2.gz WCUZRDUDZSJODZ-KSZLIROESA-N 2 0 368.468 3.623 20 0 FHADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708775 938291421 /nfs/dbraw/zinc/29/14/21/938291421.db2.gz MDIKRDUZWPNUKB-GZBFAFLISA-N 2 0 373.360 3.537 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(F)(F)F ZINC000650708961 938291750 /nfs/dbraw/zinc/29/17/50/938291750.db2.gz WRUNFOGSDIEFOQ-XYJFISCASA-N 2 0 356.432 3.732 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Cl ZINC000650717759 938304656 /nfs/dbraw/zinc/30/46/56/938304656.db2.gz LQJHABVJSGJOOG-CYBMUJFWSA-N 2 0 363.864 3.753 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000650719023 938307054 /nfs/dbraw/zinc/30/70/54/938307054.db2.gz AMBDWASKXHZMFF-FQEVSTJZSA-N 2 0 374.912 3.907 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000650722870 938310024 /nfs/dbraw/zinc/31/00/24/938310024.db2.gz CNQLOIYQDLFUMB-CEMLEFRQSA-N 2 0 351.494 3.609 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000650723623 938310736 /nfs/dbraw/zinc/31/07/36/938310736.db2.gz RAAHPAIAMIHRRC-PVAVHDDUSA-N 2 0 360.395 3.705 20 0 FHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)s2)cc1 ZINC000650723507 938310788 /nfs/dbraw/zinc/31/07/88/938310788.db2.gz PKYMAFWAPGPWPN-MISYRCLQSA-N 2 0 371.550 3.979 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724140 938311217 /nfs/dbraw/zinc/31/12/17/938311217.db2.gz YQYHBMWSHHCHNZ-CEXWTWQISA-N 2 0 359.901 3.749 20 0 FHADRP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1O ZINC000657772983 938314397 /nfs/dbraw/zinc/31/43/97/938314397.db2.gz YLXPPMWJIKYSLW-FQEVSTJZSA-N 2 0 366.505 3.793 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000583634464 938330642 /nfs/dbraw/zinc/33/06/42/938330642.db2.gz WHQLOMHNQWHLQW-FQEVSTJZSA-N 2 0 360.505 3.823 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692864 938363359 /nfs/dbraw/zinc/36/33/59/938363359.db2.gz JYSYCSMCEYVALB-BPUGDSSMSA-N 2 0 374.594 3.853 20 0 FHADRP Brc1cc2cccnc2c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000583756349 938391896 /nfs/dbraw/zinc/39/18/96/938391896.db2.gz ZXDDPEGFDOMNLR-GOSISDBHSA-N 2 0 374.326 3.961 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)c(F)c1 ZINC000650756306 938414162 /nfs/dbraw/zinc/41/41/62/938414162.db2.gz ZDDHLDDASFAYLF-PMACEKPBSA-N 2 0 362.876 3.818 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000650758440 938424192 /nfs/dbraw/zinc/42/41/92/938424192.db2.gz POGUAILMQVGNJZ-HNNXBMFYSA-N 2 0 352.457 3.890 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000650758470 938424926 /nfs/dbraw/zinc/42/49/26/938424926.db2.gz QJAARCGQTODWCN-SFHVURJKSA-N 2 0 352.400 3.902 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166533878 938439081 /nfs/dbraw/zinc/43/90/81/938439081.db2.gz WZRMELNWBRKLCM-VQTJNVASSA-N 3 0 361.961 3.768 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000583838877 938443541 /nfs/dbraw/zinc/44/35/41/938443541.db2.gz IJSFRIAKSDKEAU-UHFFFAOYSA-N 2 0 360.448 3.941 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1cccc(Br)c1 ZINC000583899395 938473424 /nfs/dbraw/zinc/47/34/24/938473424.db2.gz NPJAJXBPZBYTSA-KYJSFNMBSA-N 2 0 351.332 3.969 20 0 FHADRP CC1CC[NH+](Cc2ccc(-c3noc(CC4CC[NH+](C)CC4)n3)cc2)CC1 ZINC000685242544 938508882 /nfs/dbraw/zinc/50/88/82/938508882.db2.gz BDIILNLKLOROJQ-UHFFFAOYSA-N 2 0 368.525 3.853 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Cl)c1OC ZINC000657813233 938525667 /nfs/dbraw/zinc/52/56/67/938525667.db2.gz LCOYWECIEZRPNV-UHFFFAOYSA-N 2 0 352.906 3.569 20 0 FHADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657816541 938536639 /nfs/dbraw/zinc/53/66/39/938536639.db2.gz WYJVGABDOUGEKZ-UHFFFAOYSA-N 2 0 356.489 3.531 20 0 FHADRP CN(c1ccccc1C[NH2+]Cc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC000133456375 938578809 /nfs/dbraw/zinc/57/88/09/938578809.db2.gz OHSYBIRXEGQDEI-UHFFFAOYSA-N 2 0 362.521 3.988 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000657828807 938605755 /nfs/dbraw/zinc/60/57/55/938605755.db2.gz XSZWODGLDPJFPF-QHCPKHFHSA-N 2 0 374.569 3.840 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657836283 938650100 /nfs/dbraw/zinc/65/01/00/938650100.db2.gz RFTJQNFWQOBIIN-LJQANCHMSA-N 2 0 371.491 3.644 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836877 938659882 /nfs/dbraw/zinc/65/98/82/938659882.db2.gz XATMJGQNOQGKPV-AEFFLSMTSA-N 2 0 353.501 3.635 20 0 FHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000584289836 938672344 /nfs/dbraw/zinc/67/23/44/938672344.db2.gz LUVMRGSWTAOCLH-AZUAARDMSA-N 2 0 365.521 3.691 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657841346 938701949 /nfs/dbraw/zinc/70/19/49/938701949.db2.gz PEQWLBFZAFSQMJ-SFHVURJKSA-N 2 0 367.528 3.854 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C(F)F ZINC000657850241 938718507 /nfs/dbraw/zinc/71/85/07/938718507.db2.gz PAYVKPIDWWYGHY-QGZVFWFLSA-N 2 0 353.501 3.858 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000151866018 938798160 /nfs/dbraw/zinc/79/81/60/938798160.db2.gz RYVGSMATQOAXSZ-MRXNPFEDSA-N 2 0 373.324 3.501 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000584426374 938860284 /nfs/dbraw/zinc/86/02/84/938860284.db2.gz NGJBTBTUPJZZMX-DNVJHFABSA-N 3 0 367.537 3.874 20 0 FHADRP CCc1ccc([C@@H](CO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844184 938883344 /nfs/dbraw/zinc/88/33/44/938883344.db2.gz BTYAYRZYQMZZQK-VGOFRKELSA-N 2 0 356.510 3.574 20 0 FHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000091308800 938899996 /nfs/dbraw/zinc/89/99/96/938899996.db2.gz UPNMGNJUBHHMPW-HSZRJFAPSA-N 2 0 366.553 3.971 20 0 FHADRP CC(C)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091320527 938900285 /nfs/dbraw/zinc/90/02/85/938900285.db2.gz XUQHLQSRGNSUGF-LPHOPBHVSA-N 2 0 371.491 3.876 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000093844582 938930897 /nfs/dbraw/zinc/93/08/97/938930897.db2.gz RHZZTUOQNMVEES-LJQANCHMSA-N 2 0 367.541 3.744 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000657872073 938955064 /nfs/dbraw/zinc/95/50/64/938955064.db2.gz XZUYKIFOUVRMAJ-PXNSSMCTSA-N 2 0 351.966 3.524 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000685424673 938985681 /nfs/dbraw/zinc/98/56/81/938985681.db2.gz FCYPFQQNJBQMGC-CRAIPNDOSA-N 2 0 369.475 3.567 20 0 FHADRP C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442263 938986743 /nfs/dbraw/zinc/98/67/43/938986743.db2.gz NXPUTMNXXNEQQH-PZJWPPBQSA-N 2 0 360.542 3.677 20 0 FHADRP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442261 938986779 /nfs/dbraw/zinc/98/67/79/938986779.db2.gz NXPUTMNXXNEQQH-CTNGQTDRSA-N 2 0 360.542 3.677 20 0 FHADRP C[N@H+](Cc1ccc(-c2ccccc2F)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457577 938987810 /nfs/dbraw/zinc/98/78/10/938987810.db2.gz FIUFDIUUZZRSKG-SFHVURJKSA-N 2 0 371.500 3.686 20 0 FHADRP Cc1cc2cc(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)oc2cc1C ZINC000685458012 938988024 /nfs/dbraw/zinc/98/80/24/938988024.db2.gz XIIRRWOZZQKDTF-HXUWFJFHSA-N 2 0 355.526 3.650 20 0 FHADRP Cc1ccc(-c2ccc(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000685457787 938988057 /nfs/dbraw/zinc/98/80/57/938988057.db2.gz NRZACBWGGHSHGP-NRFANRHFSA-N 2 0 367.537 3.855 20 0 FHADRP CCOc1cc2[nH+]ccc(NCC[NH+]3CCC(OC)CC3)c2cc1OCC ZINC000080250475 939000127 /nfs/dbraw/zinc/00/01/27/939000127.db2.gz GLZFJRJBTKCYJG-UHFFFAOYSA-N 2 0 373.497 3.555 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000548851709 939009230 /nfs/dbraw/zinc/00/92/30/939009230.db2.gz DYUCEFAHTNHOIV-ICFOKQHNSA-N 2 0 369.475 3.726 20 0 FHADRP Cc1nc(COc2ccc(C[NH+]3CCC(CCC[NH+](C)C)CC3)cc2)no1 ZINC000093688684 939016421 /nfs/dbraw/zinc/01/64/21/939016421.db2.gz SOQCKYPSTHMADI-UHFFFAOYSA-N 2 0 372.513 3.511 20 0 FHADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067163 939021585 /nfs/dbraw/zinc/02/15/85/939021585.db2.gz KRFZSXLPLOAKFC-VXKWHMMOSA-N 2 0 360.517 3.942 20 0 FHADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@H]1Oc1ccccc1 ZINC000658069792 939021800 /nfs/dbraw/zinc/02/18/00/939021800.db2.gz IDTMPWAGOSPJBJ-FGZHOGPDSA-N 2 0 372.553 3.713 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1OC(F)F ZINC000658069066 939021808 /nfs/dbraw/zinc/02/18/08/939021808.db2.gz KVPKNAGCKXHMCG-OAHLLOKOSA-N 2 0 368.468 3.830 20 0 FHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658136754 939031000 /nfs/dbraw/zinc/03/10/00/939031000.db2.gz FBLDIKBHCWJHCT-BEFAXECRSA-N 2 0 374.912 3.766 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC(F)(F)CC1 ZINC000658142901 939035514 /nfs/dbraw/zinc/03/55/14/939035514.db2.gz ZTNOSRIZHLOMSJ-HNAYVOBHSA-N 2 0 352.469 3.557 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142140 939035557 /nfs/dbraw/zinc/03/55/57/939035557.db2.gz VBRKOFRAQOQURA-GCJKJVERSA-N 2 0 352.522 3.709 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138011 939040394 /nfs/dbraw/zinc/04/03/94/939040394.db2.gz LSLSBGPWLLPOBD-RDTXWAMCSA-N 2 0 362.876 3.897 20 0 FHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138176 939042548 /nfs/dbraw/zinc/04/25/48/939042548.db2.gz NBAMUEHAGXGIGX-BEFAXECRSA-N 2 0 374.912 3.766 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC(c4cccc(Cl)c4)C3)cc2)C1 ZINC000658140473 939044016 /nfs/dbraw/zinc/04/40/16/939044016.db2.gz ULGHNSSLVQOSDJ-VTLFHKLASA-N 2 0 370.924 3.942 20 0 FHADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000658167998 939054116 /nfs/dbraw/zinc/05/41/16/939054116.db2.gz UYNHEUOIJDTNJJ-NRFANRHFSA-N 2 0 355.913 3.704 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000658168435 939055566 /nfs/dbraw/zinc/05/55/66/939055566.db2.gz TUIRARDVSRENBC-INIZCTEOSA-N 2 0 357.473 3.792 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658168357 939055602 /nfs/dbraw/zinc/05/56/02/939055602.db2.gz WHIXGSHRESEKQC-IBGZPJMESA-N 2 0 367.537 3.913 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000658212241 939065452 /nfs/dbraw/zinc/06/54/52/939065452.db2.gz JMYWYTOTBDGFJH-KSEOMHKRSA-N 2 0 364.537 3.688 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@H](C)C1 ZINC000658254315 939090254 /nfs/dbraw/zinc/09/02/54/939090254.db2.gz PGHWRZYYZFJILT-WCIQWLHISA-N 2 0 366.590 3.839 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000658307994 939097763 /nfs/dbraw/zinc/09/77/63/939097763.db2.gz NVDHXVXVWAIEOJ-CTNGQTDRSA-N 2 0 371.569 3.573 20 0 FHADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338596 939117233 /nfs/dbraw/zinc/11/72/33/939117233.db2.gz FQIWGUBGVYPRPK-REXJZNOJSA-N 2 0 364.533 3.936 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCc4cccnc4CC3)cc2)CC1 ZINC000421850811 939133428 /nfs/dbraw/zinc/13/34/28/939133428.db2.gz FJRZNAUWKQSNFI-FQEVSTJZSA-N 2 0 365.521 3.592 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132550458 939179858 /nfs/dbraw/zinc/17/98/58/939179858.db2.gz BWVCNZIWJOYPRM-ROUUACIJSA-N 2 0 367.990 3.739 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427274701 945244204 /nfs/dbraw/zinc/24/42/04/945244204.db2.gz MWMVHNCAFRLNPJ-IBGZPJMESA-N 2 0 371.569 3.847 20 0 FHADRP O=C(C[C@H]1CCC[NH2+]CC1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000427278996 945247751 /nfs/dbraw/zinc/24/77/51/945247751.db2.gz BBNRPBXJUGVXKA-INIZCTEOSA-N 2 0 352.482 3.605 20 0 FHADRP CCn1c2ccccc2c2cc(C[NH2+]CCC[N@H+](C)CCOC)ccc21 ZINC000518265464 945269943 /nfs/dbraw/zinc/26/99/43/945269943.db2.gz YLEWBEXGZBGDJP-UHFFFAOYSA-N 2 0 353.510 3.872 20 0 FHADRP CCOc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000518267641 945271488 /nfs/dbraw/zinc/27/14/88/945271488.db2.gz OCBUGJPIRVGMIL-QHCPKHFHSA-N 2 0 367.537 3.554 20 0 FHADRP c1c2ccccc2oc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000518270059 945274996 /nfs/dbraw/zinc/27/49/96/945274996.db2.gz UOBWVMLSFAXFCD-UHFFFAOYSA-N 2 0 363.505 3.730 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000507515160 945292224 /nfs/dbraw/zinc/29/22/24/945292224.db2.gz UWRJLROIHQPHCJ-IBGZPJMESA-N 2 0 366.553 3.632 20 0 FHADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1nccc2ccccc21 ZINC000569973519 940067707 /nfs/dbraw/zinc/06/77/07/940067707.db2.gz IIIKRXCMJHSORC-HXUWFJFHSA-N 2 0 374.532 3.703 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)CC3 ZINC000376018343 940197063 /nfs/dbraw/zinc/19/70/63/940197063.db2.gz IUGVUKAPPVYUOG-GTPINHCMSA-N 2 0 353.510 3.640 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000177484140 940228335 /nfs/dbraw/zinc/22/83/35/940228335.db2.gz UUGQCUMIUPZPNP-SJLPKXTDSA-N 2 0 353.551 3.627 20 0 FHADRP Clc1cccc2c1SCC[C@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133128796 940267263 /nfs/dbraw/zinc/26/72/63/940267263.db2.gz PVVNIPUZTBXGOH-KBXCAEBGSA-N 2 0 366.958 3.967 20 0 FHADRP C[C@]12CC3(O)CC([NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)(C1)C[C@@](C)(C3)C2 ZINC001167966285 945311121 /nfs/dbraw/zinc/31/11/21/945311121.db2.gz SSHYLBOEKBAABP-SDFAFODESA-N 2 0 358.570 3.845 20 0 FHADRP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC[C@H]1[NH3+] ZINC000647497707 940376445 /nfs/dbraw/zinc/37/64/45/940376445.db2.gz SGGHXWZCHOPZAH-FXAWDEMLSA-N 2 0 360.933 3.761 20 0 FHADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000431728407 940428903 /nfs/dbraw/zinc/42/89/03/940428903.db2.gz NIMSMPOQRNSGQG-NRFANRHFSA-N 2 0 357.542 3.552 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431749231 940469563 /nfs/dbraw/zinc/46/95/63/940469563.db2.gz BPQLWZNKIBPLDH-SVFBPWRDSA-N 2 0 359.558 3.554 20 0 FHADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1C[C@@H]1C ZINC000414062286 940470373 /nfs/dbraw/zinc/47/03/73/940470373.db2.gz BKMDWHJUCWPXAM-WTOYTKOKSA-N 2 0 360.542 3.700 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431764032 940481838 /nfs/dbraw/zinc/48/18/38/940481838.db2.gz YKIPERPOPXEWJW-SIKLNZKXSA-N 2 0 371.569 3.799 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414115333 940603394 /nfs/dbraw/zinc/60/33/94/940603394.db2.gz MVBVSEJWSFZXHY-AZUAARDMSA-N 2 0 350.934 3.660 20 0 FHADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000647506614 940698744 /nfs/dbraw/zinc/69/87/44/940698744.db2.gz WEPXGPNRZNVLJS-UHFFFAOYSA-N 2 0 372.484 3.735 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184868 940726530 /nfs/dbraw/zinc/72/65/30/940726530.db2.gz OOZLWACMNMDXKO-UONOGXRCSA-N 2 0 372.294 3.674 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189908 940737453 /nfs/dbraw/zinc/73/74/53/940737453.db2.gz RNEVGFAUCDKVKM-HOCLYGCPSA-N 2 0 361.921 3.612 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC)C2CCCCC2)CC1 ZINC000613492741 940774108 /nfs/dbraw/zinc/77/41/08/940774108.db2.gz OJMOTNPMYKLJAO-UHFFFAOYSA-N 2 0 351.579 3.612 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000414240714 940821284 /nfs/dbraw/zinc/82/12/84/940821284.db2.gz FBRCUJGMXIQUMG-YHDSQAASSA-N 2 0 374.573 3.613 20 0 FHADRP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290872 940901329 /nfs/dbraw/zinc/90/13/29/940901329.db2.gz NYDWXHBDISVRHW-XXTHSBEZSA-N 2 0 368.496 3.687 20 0 FHADRP C[C@H](CCc1ccsc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414302256 940925809 /nfs/dbraw/zinc/92/58/09/940925809.db2.gz KIJQOHCEWLCEGJ-GOSISDBHSA-N 2 0 358.551 3.686 20 0 FHADRP CC1(C)Cc2occc2[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414313525 940946335 /nfs/dbraw/zinc/94/63/35/940946335.db2.gz YIESWDLKRNHELS-HXUWFJFHSA-N 2 0 368.521 3.910 20 0 FHADRP CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414338408 941004114 /nfs/dbraw/zinc/00/41/14/941004114.db2.gz KMSRAMCSSTYYKD-MSOLQXFVSA-N 2 0 359.558 3.688 20 0 FHADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414346553 941017158 /nfs/dbraw/zinc/01/71/58/941017158.db2.gz VMNRSLQYGCAYGZ-RBUKOAKNSA-N 2 0 373.585 3.934 20 0 FHADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543140 941065096 /nfs/dbraw/zinc/06/50/96/941065096.db2.gz HZZFCYMIKDCFFW-WOJBJXKFSA-N 2 0 365.521 3.872 20 0 FHADRP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543297 941065299 /nfs/dbraw/zinc/06/52/99/941065299.db2.gz KTRHZBWMBBDBKH-CABCVRRESA-N 2 0 367.331 3.669 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543564 941065419 /nfs/dbraw/zinc/06/54/19/941065419.db2.gz PMURTJNPVILZIR-SJORKVTESA-N 2 0 368.468 3.898 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC000647544014 941065793 /nfs/dbraw/zinc/06/57/93/941065793.db2.gz VOOQMCSRTQRRIG-HOTGVXAUSA-N 2 0 367.331 3.669 20 0 FHADRP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889107 941066773 /nfs/dbraw/zinc/06/67/73/941066773.db2.gz KEMGTJNDGLEZIB-FQEVSTJZSA-N 2 0 371.569 3.794 20 0 FHADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889376 941067687 /nfs/dbraw/zinc/06/76/87/941067687.db2.gz PNQZZADJXJTPEG-SLFFLAALSA-N 2 0 363.590 3.752 20 0 FHADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCC2)cc1 ZINC000647549115 941070738 /nfs/dbraw/zinc/07/07/38/941070738.db2.gz IUVXWUKTPGPNSF-RVKKMQEKSA-N 2 0 363.343 3.849 20 0 FHADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000685926511 941080771 /nfs/dbraw/zinc/08/07/71/941080771.db2.gz DDOQUMZEUHBCSE-OALUTQOASA-N 2 0 374.573 3.589 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000628421942 941136769 /nfs/dbraw/zinc/13/67/69/941136769.db2.gz GGUDXPWKRFWHBQ-UHFFFAOYSA-N 2 0 351.485 3.838 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659288314 941149834 /nfs/dbraw/zinc/14/98/34/941149834.db2.gz FPHMCFONCHZEOO-HXUWFJFHSA-N 2 0 367.493 3.580 20 0 FHADRP [NH3+]C[C@@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccc2ccccc2c1 ZINC000659308498 941157178 /nfs/dbraw/zinc/15/71/78/941157178.db2.gz UOCCSDGBXDMHRP-FYYLOGMGSA-N 2 0 373.500 3.648 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000166240236 941228112 /nfs/dbraw/zinc/22/81/12/941228112.db2.gz RAJMKXLAFYFLEE-WIYYLYMNSA-N 2 0 362.477 3.833 20 0 FHADRP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636151 941369742 /nfs/dbraw/zinc/36/97/42/941369742.db2.gz DXKBHXPUJUDVHK-DYXWJJEUSA-N 2 0 361.599 3.515 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000415012567 941540083 /nfs/dbraw/zinc/54/00/83/941540083.db2.gz JLJLVWGRYLWVIK-JTQLQIEISA-N 2 0 351.235 3.658 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000415015998 941542797 /nfs/dbraw/zinc/54/27/97/941542797.db2.gz OSFOSFYQUQPWSW-OAHLLOKOSA-N 2 0 368.363 3.521 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000415016925 941543315 /nfs/dbraw/zinc/54/33/15/941543315.db2.gz QTCZJIXLPOCTIF-JTQLQIEISA-N 2 0 364.125 3.819 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013611 941546727 /nfs/dbraw/zinc/54/67/27/941546727.db2.gz YOEKOVRYASSXRE-DZGCQCFKSA-N 2 0 365.930 3.983 20 0 FHADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CCCC[NH+]1C ZINC000472676752 941551061 /nfs/dbraw/zinc/55/10/61/941551061.db2.gz GDLMEMSSWLPTAU-HXUWFJFHSA-N 2 0 358.505 3.955 20 0 FHADRP c1cncc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415052214 941567626 /nfs/dbraw/zinc/56/76/26/941567626.db2.gz MUPONOOSRBZBIS-IFMALSPDSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H](c2ccccc2)C1 ZINC000415044662 941569134 /nfs/dbraw/zinc/56/91/34/941569134.db2.gz AVDNGDJVAABZFA-BFWHROOCSA-N 2 0 355.570 3.765 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000415045912 941569349 /nfs/dbraw/zinc/56/93/49/941569349.db2.gz BZKVDOJNEWWVLY-HSZRJFAPSA-N 2 0 369.528 3.902 20 0 FHADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415060655 941579297 /nfs/dbraw/zinc/57/92/97/941579297.db2.gz XFURQYLSZCJTLE-JSRAGOMMSA-N 2 0 361.961 3.782 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000415061918 941580243 /nfs/dbraw/zinc/58/02/43/941580243.db2.gz ZEDUBROQYMALNG-NRFANRHFSA-N 2 0 352.457 3.640 20 0 FHADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415070550 941585417 /nfs/dbraw/zinc/58/54/17/941585417.db2.gz QWUWHGQNAQNPEJ-UHFFFAOYSA-N 2 0 366.534 3.892 20 0 FHADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415075547 941586378 /nfs/dbraw/zinc/58/63/78/941586378.db2.gz BPPLJVSYYYEONJ-MDCZIUGASA-N 2 0 352.482 3.502 20 0 FHADRP c1sc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000415075572 941586772 /nfs/dbraw/zinc/58/67/72/941586772.db2.gz BTEVFRPJBIIWHA-KURKYZTESA-N 2 0 356.539 3.648 20 0 FHADRP C[C@@]1(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000415085540 941590171 /nfs/dbraw/zinc/59/01/71/941590171.db2.gz QUHDPZLSZMVOEV-GOSISDBHSA-N 2 0 356.341 3.547 20 0 FHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415080856 941592005 /nfs/dbraw/zinc/59/20/05/941592005.db2.gz JVVLJRKGSVDESG-QINHECLXSA-N 2 0 352.482 3.515 20 0 FHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415080853 941592074 /nfs/dbraw/zinc/59/20/74/941592074.db2.gz JVVLJRKGSVDESG-JXXFODFXSA-N 2 0 352.482 3.515 20 0 FHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OCc1ccncc1 ZINC000415082244 941592525 /nfs/dbraw/zinc/59/25/25/941592525.db2.gz CWTMTGNEAZYIRX-ZIFCJYIRSA-N 2 0 369.509 3.708 20 0 FHADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000415090274 941594388 /nfs/dbraw/zinc/59/43/88/941594388.db2.gz YVKVPPJBJIHAMU-UHFFFAOYSA-N 2 0 356.341 3.817 20 0 FHADRP [NH3+]C1CCC([NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)CC1 ZINC000415091198 941601039 /nfs/dbraw/zinc/60/10/39/941601039.db2.gz PWUYLXAQZDLMEU-UHFFFAOYSA-N 2 0 357.325 3.901 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106546 941602809 /nfs/dbraw/zinc/60/28/09/941602809.db2.gz JRGVDSKWQPAONT-ZWKOTPCHSA-N 2 0 356.432 3.732 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000415117726 941614108 /nfs/dbraw/zinc/61/41/08/941614108.db2.gz ZYPAJMCOKOVDEF-SJORKVTESA-N 2 0 360.395 3.563 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)ccc2c1 ZINC000415119920 941617196 /nfs/dbraw/zinc/61/71/96/941617196.db2.gz FVXGXLLRXYFGCR-IRLDBZIGSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc(C)c1OC(F)F ZINC000415120866 941617669 /nfs/dbraw/zinc/61/76/69/941617669.db2.gz HJHDWMRIYVWJAA-MSOLQXFVSA-N 2 0 368.468 3.623 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc12 ZINC000415122867 941619095 /nfs/dbraw/zinc/61/90/95/941619095.db2.gz IUSJPEBEFFYKGY-RBBKRZOGSA-N 2 0 354.494 3.567 20 0 FHADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000415123855 941620079 /nfs/dbraw/zinc/62/00/79/941620079.db2.gz JUZWNFVQGZGMGI-GXTWGEPZSA-N 2 0 352.404 3.512 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000415128541 941622325 /nfs/dbraw/zinc/62/23/25/941622325.db2.gz OHRNKGRWIDDFQP-FGZHOGPDSA-N 2 0 358.526 3.726 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c2ccccc12 ZINC000415128972 941623213 /nfs/dbraw/zinc/62/32/13/941623213.db2.gz SXYSLRNMKQHKTD-GCJKJVERSA-N 2 0 354.494 3.567 20 0 FHADRP C[C@@H](CCc1ccccc1)C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415138404 941626685 /nfs/dbraw/zinc/62/66/85/941626685.db2.gz VCTLWONVGHYYDI-NRFANRHFSA-N 2 0 365.565 3.838 20 0 FHADRP Cc1ccc([C@H](CNC(=O)CCCC[NH+]2CCCC2)[NH+]2CCCC2)cc1 ZINC000729349981 941727457 /nfs/dbraw/zinc/72/74/57/941727457.db2.gz BQLNETYIDCMXKC-NRFANRHFSA-N 2 0 357.542 3.514 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000513330395 941856979 /nfs/dbraw/zinc/85/69/79/941856979.db2.gz LFYZAYQAMNFJCX-QUCCMNQESA-N 2 0 365.606 3.904 20 0 FHADRP C[N@H+](C1CC[NH+](C2CCOCC2)CC1)[C@H]1CSCCc2ccccc21 ZINC000377656743 941878990 /nfs/dbraw/zinc/87/89/90/941878990.db2.gz YJKRFZMGAANHET-NRFANRHFSA-N 2 0 360.567 3.592 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)CC1 ZINC000093133020 941892496 /nfs/dbraw/zinc/89/24/96/941892496.db2.gz QMNIVOUCILGBBU-LJQANCHMSA-N 2 0 355.551 3.627 20 0 FHADRP C[N@H+](CCN1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000513448172 941935798 /nfs/dbraw/zinc/93/57/98/941935798.db2.gz RVPHMQDTJPCSFV-RPWUZVMVSA-N 2 0 363.549 3.540 20 0 FHADRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)[C@H](C)C2)s1 ZINC000377793493 941995829 /nfs/dbraw/zinc/99/58/29/941995829.db2.gz SJYCKNPHZBDNMK-KZULUSFZSA-N 2 0 351.466 3.730 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cn3ccccc3n2)CC1 ZINC000513655327 942057744 /nfs/dbraw/zinc/05/77/44/942057744.db2.gz LSTKFARPGLANSP-UHFFFAOYSA-N 2 0 362.521 3.910 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000415907665 942135790 /nfs/dbraw/zinc/13/57/90/942135790.db2.gz BSFCQJUQWRFMTE-MSOLQXFVSA-N 2 0 358.530 3.524 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000415912692 942136458 /nfs/dbraw/zinc/13/64/58/942136458.db2.gz MONQUIYGWIKPCX-UHFFFAOYSA-N 2 0 368.525 3.828 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000415915030 942138641 /nfs/dbraw/zinc/13/86/41/942138641.db2.gz CPVZBRAKVKASJH-IBGZPJMESA-N 2 0 358.530 3.526 20 0 FHADRP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000513691103 942140342 /nfs/dbraw/zinc/14/03/42/942140342.db2.gz QZBDVTVZGFHHPJ-CEXWTWQISA-N 2 0 353.510 3.850 20 0 FHADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000513691104 942140426 /nfs/dbraw/zinc/14/04/26/942140426.db2.gz QZBDVTVZGFHHPJ-FHWLQOOXSA-N 2 0 353.510 3.850 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000415917251 942141725 /nfs/dbraw/zinc/14/17/25/942141725.db2.gz IRVBIFUZRJQSHE-HXUWFJFHSA-N 2 0 358.530 3.572 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415916656 942142418 /nfs/dbraw/zinc/14/24/18/942142418.db2.gz HWSXWZLDTFNTQI-GOSISDBHSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000415911762 942146055 /nfs/dbraw/zinc/14/60/55/942146055.db2.gz JWDYSBAXQGUOCE-LJQANCHMSA-N 2 0 358.530 3.572 20 0 FHADRP C[NH2+]CCC1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000647906371 942156444 /nfs/dbraw/zinc/15/64/44/942156444.db2.gz XNISVMOYMDSZJV-QFIPXVFZSA-N 2 0 365.521 3.996 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931338 942166681 /nfs/dbraw/zinc/16/66/81/942166681.db2.gz KTGYNOMTTQRZQE-LAUBAEHRSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000415937514 942170270 /nfs/dbraw/zinc/17/02/70/942170270.db2.gz WUZDHMZMUZQXHR-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000415941988 942172905 /nfs/dbraw/zinc/17/29/05/942172905.db2.gz HSPXJDXKWYNAEM-OAQYLSRUSA-N 2 0 366.509 3.755 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000415953342 942193421 /nfs/dbraw/zinc/19/34/21/942193421.db2.gz LEGMTJWOGNRHKK-OALUTQOASA-N 2 0 372.557 3.914 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000415954718 942197222 /nfs/dbraw/zinc/19/72/22/942197222.db2.gz MPHSITYPFIVVFE-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697678 942204153 /nfs/dbraw/zinc/20/41/53/942204153.db2.gz QNEGVVZQRGFQNF-KJJMTIBFSA-N 2 0 364.537 3.547 20 0 FHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431855944 942205897 /nfs/dbraw/zinc/20/58/97/942205897.db2.gz CTPKVIQDFXHZNM-VXKWHMMOSA-N 2 0 371.569 3.622 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000415959690 942208284 /nfs/dbraw/zinc/20/82/84/942208284.db2.gz TUZNNFWENGUEJP-HXUWFJFHSA-N 2 0 366.509 3.582 20 0 FHADRP CCc1oc2ccccc2c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000513697746 942211358 /nfs/dbraw/zinc/21/13/58/942211358.db2.gz RCUWSRYJQCNVQD-GOSISDBHSA-N 2 0 355.526 3.597 20 0 FHADRP CCc1oc2ccccc2c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000513697747 942211574 /nfs/dbraw/zinc/21/15/74/942211574.db2.gz RCUWSRYJQCNVQD-SFHVURJKSA-N 2 0 355.526 3.597 20 0 FHADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972058 942218317 /nfs/dbraw/zinc/21/83/17/942218317.db2.gz OPLCCQJSZCWJPV-BETUJISGSA-N 2 0 372.435 3.549 20 0 FHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415980965 942225909 /nfs/dbraw/zinc/22/59/09/942225909.db2.gz UFXJVIOMCGRVNO-FQEVSTJZSA-N 2 0 366.509 3.521 20 0 FHADRP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)CCC2 ZINC000280721282 942235087 /nfs/dbraw/zinc/23/50/87/942235087.db2.gz CEIAIDTWHZUVFV-HSZRJFAPSA-N 2 0 366.505 3.516 20 0 FHADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415995461 942238586 /nfs/dbraw/zinc/23/85/86/942238586.db2.gz KXJSXOGFVAOTMG-UHFFFAOYSA-N 2 0 372.900 3.539 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1)CC1CC1 ZINC000416014317 942261797 /nfs/dbraw/zinc/26/17/97/942261797.db2.gz SFVOJSBLDHZBIV-UHFFFAOYSA-N 2 0 370.541 3.656 20 0 FHADRP C[N@@H+](CC(=O)c1c[nH]c2ccccc12)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040263 942271231 /nfs/dbraw/zinc/27/12/31/942271231.db2.gz PMLHDBFCABIOMX-UHFFFAOYSA-N 2 0 362.477 3.594 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+](CCSC3CCCCC3)CC2)CC1 ZINC000501037436 942279738 /nfs/dbraw/zinc/27/97/38/942279738.db2.gz RKTUINCUGHJFJA-UHFFFAOYSA-N 2 0 353.620 3.543 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCSC3CCCCC3)CC2)CC1 ZINC000420982466 942280753 /nfs/dbraw/zinc/28/07/53/942280753.db2.gz OTVZCJLFDQKSQU-UHFFFAOYSA-N 2 0 353.620 3.544 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOc3c(C)cccc3C)CC2)CC1 ZINC000420979882 942289257 /nfs/dbraw/zinc/28/92/57/942289257.db2.gz KWTJJPDOKWDGHF-UHFFFAOYSA-N 2 0 373.585 3.564 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOc3cc(C)ccc3C)CC2)CC1 ZINC000421012822 942291666 /nfs/dbraw/zinc/29/16/66/942291666.db2.gz QPVNPVNXECIGIN-UHFFFAOYSA-N 2 0 373.585 3.564 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1OC ZINC000502277746 942327712 /nfs/dbraw/zinc/32/77/12/942327712.db2.gz CSNHPKOQLIRTKV-MRXNPFEDSA-N 2 0 374.500 3.934 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000180415261 942364484 /nfs/dbraw/zinc/36/44/84/942364484.db2.gz DPMWDPRWBKRQSZ-CZUORRHYSA-N 2 0 355.320 3.625 20 0 FHADRP [NH3+]CCCCCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378203384 942392767 /nfs/dbraw/zinc/39/27/67/942392767.db2.gz QDNGSWAFAISLPS-LEWJYISDSA-N 2 0 357.542 3.551 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908430 942395666 /nfs/dbraw/zinc/39/56/66/942395666.db2.gz FKOVVMZFWNYNRX-YMPZKCBVSA-N 2 0 355.570 3.672 20 0 FHADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502404419 942408924 /nfs/dbraw/zinc/40/89/24/942408924.db2.gz GOQORGYDJSYZIC-KRWDZBQOSA-N 2 0 353.514 3.960 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416168461 942436166 /nfs/dbraw/zinc/43/61/66/942436166.db2.gz YFYXLVQLYHFLFK-SJBKTWHCSA-N 2 0 371.569 3.792 20 0 FHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419923656 942447259 /nfs/dbraw/zinc/44/72/59/942447259.db2.gz QHXNCZZCYXGFGG-UHFFFAOYSA-N 2 0 357.498 3.537 20 0 FHADRP CCCC[NH+](CCCC)CCNc1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC001167732696 942465170 /nfs/dbraw/zinc/46/51/70/942465170.db2.gz ALOAQDOWSOTNAC-LJQANCHMSA-N 2 0 359.562 3.600 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000501419155 942466123 /nfs/dbraw/zinc/46/61/23/942466123.db2.gz GMEWDAVEGHJMDJ-TZIWHRDSSA-N 2 0 353.510 3.838 20 0 FHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000502477058 942473162 /nfs/dbraw/zinc/47/31/62/942473162.db2.gz ZTKLLWSMURGXPN-SFHVURJKSA-N 2 0 367.459 3.880 20 0 FHADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)s2)cn1 ZINC000549406590 942480101 /nfs/dbraw/zinc/48/01/01/942480101.db2.gz FODDIWDAGFNDFS-HNAYVOBHSA-N 2 0 356.539 3.597 20 0 FHADRP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCCn1ccnc1 ZINC000181100474 942485186 /nfs/dbraw/zinc/48/51/86/942485186.db2.gz UNFKUVXCOCPFSS-GFCCVEGCSA-N 2 0 355.269 3.539 20 0 FHADRP O=C(Nc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1)c1ccccc1Cl ZINC000414833283 942493779 /nfs/dbraw/zinc/49/37/79/942493779.db2.gz RNWWCDFEQROSII-MRXNPFEDSA-N 2 0 357.885 3.682 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421355638 942505433 /nfs/dbraw/zinc/50/54/33/942505433.db2.gz ZYPQVYBELYBPSX-QAQDUYKDSA-N 2 0 351.579 3.547 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414832592 942505974 /nfs/dbraw/zinc/50/59/74/942505974.db2.gz QVQZVZLXJJGPMS-LJQANCHMSA-N 2 0 360.505 3.937 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000501519960 942521752 /nfs/dbraw/zinc/52/17/52/942521752.db2.gz WAORQJOQKACVCN-MOPGFXCFSA-N 2 0 374.573 3.591 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374097 942525617 /nfs/dbraw/zinc/52/56/17/942525617.db2.gz NKNHUGOLKUHTBC-DNQXCXABSA-N 2 0 369.597 3.989 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375483 942527068 /nfs/dbraw/zinc/52/70/68/942527068.db2.gz PFEDCKLGGATDOK-QGZVFWFLSA-N 2 0 365.512 3.560 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000421376489 942527174 /nfs/dbraw/zinc/52/71/74/942527174.db2.gz QNONDBOVXPSEDH-HSBZDZAISA-N 2 0 355.320 3.981 20 0 FHADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000421381454 942535458 /nfs/dbraw/zinc/53/54/58/942535458.db2.gz ZZDZDDJPWHDUCA-UHFFFAOYSA-N 2 0 369.509 3.632 20 0 FHADRP CC(C)[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000502564099 942545083 /nfs/dbraw/zinc/54/50/83/942545083.db2.gz TYJZMAPSQXLNML-RBBKRZOGSA-N 2 0 371.500 3.532 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420292608 942608607 /nfs/dbraw/zinc/60/86/07/942608607.db2.gz LTHMIKLSVRLYRF-YWZLYKJASA-N 2 0 355.457 3.565 20 0 FHADRP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299281 942609874 /nfs/dbraw/zinc/60/98/74/942609874.db2.gz IQDRXFVJICJMRT-BBRMVZONSA-N 2 0 353.304 3.594 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300428 942610239 /nfs/dbraw/zinc/61/02/39/942610239.db2.gz KJBSOHGPMSBLFV-IEBWSBKVSA-N 2 0 356.535 3.852 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000420301002 942611107 /nfs/dbraw/zinc/61/11/07/942611107.db2.gz IHPFAQNYCHGSDM-UTKZUKDTSA-N 2 0 370.493 3.592 20 0 FHADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420308236 942613769 /nfs/dbraw/zinc/61/37/69/942613769.db2.gz NGUUKIRXRKQBJD-OAQYLSRUSA-N 2 0 363.505 3.750 20 0 FHADRP COc1ccccc1CCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420311550 942615073 /nfs/dbraw/zinc/61/50/73/942615073.db2.gz NNNPHQCCMCRRFK-OAQYLSRUSA-N 2 0 353.510 3.667 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2CN([C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@H]12 ZINC000420312556 942616173 /nfs/dbraw/zinc/61/61/73/942616173.db2.gz SLYNCNFSDCRWQX-QEMXTEJRSA-N 2 0 359.473 3.761 20 0 FHADRP Cc1ccc(-c2noc(CCC[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1F ZINC000420346609 942627080 /nfs/dbraw/zinc/62/70/80/942627080.db2.gz YXLGMZMQIVPHIE-LJQANCHMSA-N 2 0 372.488 3.581 20 0 FHADRP OC1(C[NH2+]Cc2cccc3ccoc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414525298 942630371 /nfs/dbraw/zinc/63/03/71/942630371.db2.gz MBLBIBIELIXIEX-UHFFFAOYSA-N 2 0 350.462 3.550 20 0 FHADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1-c1ccccc1 ZINC000420332113 942631546 /nfs/dbraw/zinc/63/15/46/942631546.db2.gz CQDHYDABSWVUTL-NRFANRHFSA-N 2 0 363.505 3.756 20 0 FHADRP FC(F)(F)c1ccccc1OCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420363610 942639833 /nfs/dbraw/zinc/63/98/33/942639833.db2.gz BPXRAVVJTRXJGI-HNNXBMFYSA-N 2 0 356.432 3.796 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378742 942646250 /nfs/dbraw/zinc/64/62/50/942646250.db2.gz UOIZSSNRBSJPGA-XJKSGUPXSA-N 2 0 350.409 3.690 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000420384359 942648904 /nfs/dbraw/zinc/64/89/04/942648904.db2.gz ROWZOWNOWRJWEE-ROUUACIJSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420385767 942648965 /nfs/dbraw/zinc/64/89/65/942648965.db2.gz HZVSZQFCVRJTOW-JEBQAFNWSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCOc3cccc4ccccc43)CC2)C1 ZINC000420392374 942653049 /nfs/dbraw/zinc/65/30/49/942653049.db2.gz PLGAMTINZPNYBM-OFNKIYASSA-N 2 0 368.521 3.827 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420413886 942656596 /nfs/dbraw/zinc/65/65/96/942656596.db2.gz TYHSXQQGSVWBKE-YSSFQJQWSA-N 2 0 367.940 3.982 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420418588 942658383 /nfs/dbraw/zinc/65/83/83/942658383.db2.gz WYYMWBCTNAOOQR-ZOCIIQOWSA-N 2 0 353.913 3.592 20 0 FHADRP CC(C)(C)[NH2+]CCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001125875951 942659492 /nfs/dbraw/zinc/65/94/92/942659492.db2.gz JQPVJFSJAULPME-UHFFFAOYSA-N 2 0 365.949 3.543 20 0 FHADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406025 942663709 /nfs/dbraw/zinc/66/37/09/942663709.db2.gz NIBKMQDWNKNVFW-HLIPFELVSA-N 2 0 351.494 3.917 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cs1)c1ccc(C)cc1 ZINC000414845351 942666605 /nfs/dbraw/zinc/66/66/05/942666605.db2.gz SMCZLYQYFWIWNH-KRWDZBQOSA-N 2 0 372.538 3.615 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000501786021 942672730 /nfs/dbraw/zinc/67/27/30/942672730.db2.gz OFNXMBUJWFNXIT-UHFFFAOYSA-N 2 0 352.906 3.665 20 0 FHADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501792150 942674514 /nfs/dbraw/zinc/67/45/14/942674514.db2.gz RVNABIVTDCBTKY-JOCHJYFZSA-N 2 0 373.585 3.596 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000502750787 942716390 /nfs/dbraw/zinc/71/63/90/942716390.db2.gz YBOWQJBTXFUHRT-CEXWTWQISA-N 2 0 374.573 3.678 20 0 FHADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000378404879 942729539 /nfs/dbraw/zinc/72/95/39/942729539.db2.gz QETNLURFFKGQCN-JXFKEZNVSA-N 2 0 370.493 3.810 20 0 FHADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085065 942735421 /nfs/dbraw/zinc/73/54/21/942735421.db2.gz SNHKZDYRIDIXHY-YSTOQKLRSA-N 2 0 361.599 3.984 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000514092855 942742337 /nfs/dbraw/zinc/74/23/37/942742337.db2.gz GLHJZHMBKPUZFE-CEXWTWQISA-N 2 0 355.530 3.676 20 0 FHADRP Cc1nccn1CCCC[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000502866768 942813294 /nfs/dbraw/zinc/81/32/94/942813294.db2.gz GLVCNAXUSXJUEH-FQEVSTJZSA-N 2 0 355.461 3.566 20 0 FHADRP CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552028 942817012 /nfs/dbraw/zinc/81/70/12/942817012.db2.gz GGJIENMOYOQYAD-NQIIRXRSSA-N 2 0 371.569 3.690 20 0 FHADRP CC[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552030 942817174 /nfs/dbraw/zinc/81/71/74/942817174.db2.gz GGJIENMOYOQYAD-RXVVDRJESA-N 2 0 371.569 3.690 20 0 FHADRP CC(=O)N1CC[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)c2ccccc2C1 ZINC000378493358 942825727 /nfs/dbraw/zinc/82/57/27/942825727.db2.gz IPOJFZMEGKMSQZ-QFIPXVFZSA-N 2 0 357.542 3.582 20 0 FHADRP CC(=O)N1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)c2ccccc2C1 ZINC000378501729 942832068 /nfs/dbraw/zinc/83/20/68/942832068.db2.gz WNHFFVUSLSXAKB-GCJKJVERSA-N 2 0 357.542 3.724 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421818512 942845624 /nfs/dbraw/zinc/84/56/24/942845624.db2.gz BDFLHGGIUCHIRJ-GOSISDBHSA-N 2 0 372.944 3.594 20 0 FHADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000514241974 942855763 /nfs/dbraw/zinc/85/57/63/942855763.db2.gz KCMFCZJKFGHCOV-SCFJIEIRSA-N 2 0 350.506 3.836 20 0 FHADRP CCCC[C@H](CC)C[NH2+][C@@]12CC[C@@]([NH2+]CCC(=O)N(C)C)(C1)CCC2 ZINC001280074519 942862216 /nfs/dbraw/zinc/86/22/16/942862216.db2.gz GIYCCCQJWIMUIL-TYPHKJRUSA-N 2 0 351.579 3.706 20 0 FHADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](N)c2ccc(C(C)C)cc2)cc1 ZINC000414850560 942866982 /nfs/dbraw/zinc/86/69/82/942866982.db2.gz SOVJEBONGNCVFO-IERDGZPVSA-N 2 0 369.509 3.825 20 0 FHADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000502956555 942875082 /nfs/dbraw/zinc/87/50/82/942875082.db2.gz LYTROXSPTKSJNE-NRFANRHFSA-N 2 0 365.606 3.859 20 0 FHADRP C[C@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414559161 942882111 /nfs/dbraw/zinc/88/21/11/942882111.db2.gz PHGVHSRUHBDCQT-BVXKKWFLSA-N 2 0 368.565 3.674 20 0 FHADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072209 942956278 /nfs/dbraw/zinc/95/62/78/942956278.db2.gz ATSCMMIBDQVXOV-QFIPXVFZSA-N 2 0 352.522 3.945 20 0 FHADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000503075088 942959731 /nfs/dbraw/zinc/95/97/31/942959731.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 2 0 373.589 3.683 20 0 FHADRP Cc1nnc([C@@H](C)[NH2+]CCCCCC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000273559225 942985029 /nfs/dbraw/zinc/98/50/29/942985029.db2.gz DBOKSDLRJJRKGD-TXEJJXNPSA-N 2 0 368.576 3.568 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000503150810 943008306 /nfs/dbraw/zinc/00/83/06/943008306.db2.gz IKJKZVDRIOKTGS-SFHVURJKSA-N 2 0 374.573 3.680 20 0 FHADRP C[NH+]1CCN(C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)c2ccccc2)CC1 ZINC000584575593 943015555 /nfs/dbraw/zinc/01/55/55/943015555.db2.gz JVTUKGZWQGGQKB-WLXPTCNVSA-N 2 0 363.549 3.685 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000503220806 943064068 /nfs/dbraw/zinc/06/40/68/943064068.db2.gz IXDUYIZCYVZYEK-PMACEKPBSA-N 2 0 365.606 3.761 20 0 FHADRP COCCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000271896415 943067047 /nfs/dbraw/zinc/06/70/47/943067047.db2.gz UDEFNFQDNIUMNR-GOSISDBHSA-N 2 0 367.331 3.768 20 0 FHADRP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000414659864 943134467 /nfs/dbraw/zinc/13/44/67/943134467.db2.gz UGWGOCNVMAMWFX-HXUWFJFHSA-N 2 0 360.505 3.687 20 0 FHADRP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361829 943143342 /nfs/dbraw/zinc/14/33/42/943143342.db2.gz SGLSARDCRAURIW-CTNGQTDRSA-N 2 0 355.570 3.894 20 0 FHADRP c1ncn(-c2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)n1 ZINC000272444665 943155984 /nfs/dbraw/zinc/15/59/84/943155984.db2.gz URQDFIGUDDCGNI-KOUNCHBCSA-N 2 0 373.504 3.553 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2)cs1 ZINC000422560667 943181590 /nfs/dbraw/zinc/18/15/90/943181590.db2.gz HKKLLIXZAJAYDC-MPGHIAIKSA-N 2 0 359.539 3.836 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000416884754 943199156 /nfs/dbraw/zinc/19/91/56/943199156.db2.gz DHFHFBZXEQVTLM-KRWDZBQOSA-N 2 0 368.525 3.548 20 0 FHADRP Cc1nccn1CCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000510025435 943209246 /nfs/dbraw/zinc/20/92/46/943209246.db2.gz DUOPYLPOSSAEKB-SFHVURJKSA-N 2 0 363.889 3.583 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000422696112 943234529 /nfs/dbraw/zinc/23/45/29/943234529.db2.gz QSMILSJQBHRLDM-HRCADAONSA-N 2 0 354.441 3.697 20 0 FHADRP Clc1ccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422709432 943242901 /nfs/dbraw/zinc/24/29/01/943242901.db2.gz DGPRIIFHRKLPKY-QUCCMNQESA-N 2 0 358.869 3.564 20 0 FHADRP c1ccc(OCc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422729991 943248432 /nfs/dbraw/zinc/24/84/32/943248432.db2.gz IWUNOQASBBFJLD-YTFSRNRJSA-N 2 0 366.505 3.512 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000422730689 943249339 /nfs/dbraw/zinc/24/93/39/943249339.db2.gz FFRZWLHUDPZDMS-JPYJTQIMSA-N 2 0 366.553 3.973 20 0 FHADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422731597 943249631 /nfs/dbraw/zinc/24/96/31/943249631.db2.gz NRAJSEQMHWBZTD-UGSOOPFHSA-N 2 0 356.341 3.688 20 0 FHADRP COc1ccc([C@H](NC[C@H](c2cccc(F)c2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422731973 943250129 /nfs/dbraw/zinc/25/01/29/943250129.db2.gz OQSLLHMEWFJAGI-BDTNDASRSA-N 2 0 371.500 3.520 20 0 FHADRP c1ccc(C[NH+]2CCC(OC3CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC3)CC2)cc1 ZINC001167948024 943263578 /nfs/dbraw/zinc/26/35/78/943263578.db2.gz JTPCCWMZLCHDIE-WKCHPHFGSA-N 2 0 354.538 3.931 20 0 FHADRP CC(=O)Nc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000093006796 943269615 /nfs/dbraw/zinc/26/96/15/943269615.db2.gz UEMGIJVUINVXRU-UHFFFAOYSA-N 2 0 365.521 3.989 20 0 FHADRP C[C@H]([NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000422744548 943269664 /nfs/dbraw/zinc/26/96/64/943269664.db2.gz TVUBJURPJUEFNR-KZTGVZKYSA-N 2 0 355.345 3.820 20 0 FHADRP CN(CCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422745334 943269756 /nfs/dbraw/zinc/26/97/56/943269756.db2.gz XLIKNWPWMOTXGB-JTHBVZDNSA-N 2 0 365.521 3.749 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001139 943283366 /nfs/dbraw/zinc/28/33/66/943283366.db2.gz DVMFIJYICKGJSM-HNAYVOBHSA-N 2 0 374.554 3.650 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422764457 943284877 /nfs/dbraw/zinc/28/48/77/943284877.db2.gz PQYYGSVPWGFUAL-HSALFYBXSA-N 2 0 362.945 3.899 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422798131 943287063 /nfs/dbraw/zinc/28/70/63/943287063.db2.gz PVZORHFEFWQDJG-MMACOIQUSA-N 2 0 358.432 3.914 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797028 943287291 /nfs/dbraw/zinc/28/72/91/943287291.db2.gz KXXUDGAWKWCASB-FNAHDJPLSA-N 2 0 359.558 3.588 20 0 FHADRP Cc1cccc2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cn21 ZINC000503614196 943291816 /nfs/dbraw/zinc/29/18/16/943291816.db2.gz JNCAYMMDYDEPLV-UHFFFAOYSA-N 2 0 362.521 3.987 20 0 FHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000422810686 943291840 /nfs/dbraw/zinc/29/18/40/943291840.db2.gz UOADRVXULAVOBP-WEFJBSGNSA-N 2 0 371.550 3.926 20 0 FHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422820176 943294621 /nfs/dbraw/zinc/29/46/21/943294621.db2.gz PGQJUXJHHINZDR-YQYZPQCESA-N 2 0 354.416 3.953 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422830656 943299104 /nfs/dbraw/zinc/29/91/04/943299104.db2.gz WAPMBPLCCAPXQT-HOCLYGCPSA-N 2 0 367.921 3.578 20 0 FHADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(OCC(F)(F)F)c1 ZINC000422848971 943305050 /nfs/dbraw/zinc/30/50/50/943305050.db2.gz BLGWNTHQPFFOCC-ZDUSSCGKSA-N 2 0 367.415 3.949 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000422850613 943305655 /nfs/dbraw/zinc/30/56/55/943305655.db2.gz NUSOUQOCBQAEFQ-OAQYLSRUSA-N 2 0 354.494 3.522 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422861550 943309515 /nfs/dbraw/zinc/30/95/15/943309515.db2.gz OJJQSAXGADFTOA-QFBILLFUSA-N 2 0 356.510 3.530 20 0 FHADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422843979 943312312 /nfs/dbraw/zinc/31/23/12/943312312.db2.gz KLJWSLUZJOZEJR-FYYLOGMGSA-N 2 0 361.489 3.864 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422846157 943313020 /nfs/dbraw/zinc/31/30/20/943313020.db2.gz PHTWULSTPBZRNZ-PWRODBHTSA-N 2 0 356.489 3.720 20 0 FHADRP Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)co2)cc1 ZINC000422875691 943313673 /nfs/dbraw/zinc/31/36/73/943313673.db2.gz CUSGLITVJBELCB-OAHLLOKOSA-N 2 0 350.466 3.705 20 0 FHADRP C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414700995 943313755 /nfs/dbraw/zinc/31/37/55/943313755.db2.gz JWNQRYVFZSVYJX-HKUYNNGSSA-N 2 0 371.550 3.509 20 0 FHADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514824903 943314009 /nfs/dbraw/zinc/31/40/09/943314009.db2.gz BUDKXTQGPNMAJU-GGAORHGYSA-N 2 0 374.488 3.526 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422886552 943318375 /nfs/dbraw/zinc/31/83/75/943318375.db2.gz WXLOJGWCKPLPSE-NYVOZVTQSA-N 2 0 359.558 3.733 20 0 FHADRP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)sn1 ZINC000660150034 943321182 /nfs/dbraw/zinc/32/11/82/943321182.db2.gz NBPIIBJYVPLJPF-UHFFFAOYSA-N 2 0 357.523 3.640 20 0 FHADRP CCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422874722 943323315 /nfs/dbraw/zinc/32/33/15/943323315.db2.gz ASRFUHSRGYPSGG-NGICGMGXSA-N 2 0 372.557 3.501 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422901319 943324671 /nfs/dbraw/zinc/32/46/71/943324671.db2.gz RXQUKEYBTNOSOX-BMGDILEWSA-N 2 0 366.347 3.525 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)CCC[NH3+])c(C(F)(F)F)c2)n1 ZINC000422901978 943324969 /nfs/dbraw/zinc/32/49/69/943324969.db2.gz MBFHSXFRJLFKPK-LBPRGKRZSA-N 2 0 354.420 3.725 20 0 FHADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902218 943325159 /nfs/dbraw/zinc/32/51/59/943325159.db2.gz UEWVUZVFBFVJOD-IFMALSPDSA-N 2 0 352.478 3.821 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422906959 943326312 /nfs/dbraw/zinc/32/63/12/943326312.db2.gz ANTFAZQWVMYKBW-WMLDXEAASA-N 2 0 358.436 3.522 20 0 FHADRP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907742 943327066 /nfs/dbraw/zinc/32/70/66/943327066.db2.gz CHEDNOUKDFMXJJ-RCCFBDPRSA-N 2 0 356.539 3.648 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422910092 943327750 /nfs/dbraw/zinc/32/77/50/943327750.db2.gz PRLYKLVEYKBNGM-RCCFBDPRSA-N 2 0 370.459 3.730 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422910090 943327821 /nfs/dbraw/zinc/32/78/21/943327821.db2.gz PRLYKLVEYKBNGM-KZNAEPCWSA-N 2 0 370.459 3.730 20 0 FHADRP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422910970 943328125 /nfs/dbraw/zinc/32/81/25/943328125.db2.gz JRHIHUHOCCCNGC-OFNKIYASSA-N 2 0 364.489 3.963 20 0 FHADRP CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000414702859 943328339 /nfs/dbraw/zinc/32/83/39/943328339.db2.gz BMYUDXQSPDECCK-UHFFFAOYSA-N 2 0 358.530 3.667 20 0 FHADRP [NH3+]CC1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000422910703 943328363 /nfs/dbraw/zinc/32/83/63/943328363.db2.gz RKLJPJFERSGRNY-UHFFFAOYSA-N 3 0 357.586 3.828 20 0 FHADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422912476 943329004 /nfs/dbraw/zinc/32/90/04/943329004.db2.gz WFXHPHPRIFRBNL-XUVXKRRUSA-N 2 0 360.567 3.838 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422894266 943330901 /nfs/dbraw/zinc/33/09/01/943330901.db2.gz BWSXUKMMOKLJAR-HLAWJBBLSA-N 2 0 372.553 3.562 20 0 FHADRP C[C@H](CC[N@@H+]1CC[C@@H](c2ccncc2)C1)[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000584662851 943339694 /nfs/dbraw/zinc/33/96/94/943339694.db2.gz MWSVKRRENFQTHX-STZQEDGTSA-N 2 0 350.510 3.534 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422967853 943344046 /nfs/dbraw/zinc/34/40/46/943344046.db2.gz UNQVCVMHRLVFIL-JPYJTQIMSA-N 2 0 362.521 3.661 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422950455 943346916 /nfs/dbraw/zinc/34/69/16/943346916.db2.gz VYEXZDDFRDDBOE-CYBMUJFWSA-N 2 0 354.429 3.536 20 0 FHADRP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422951544 943347625 /nfs/dbraw/zinc/34/76/25/943347625.db2.gz YZDJQAMANYADEY-UNMCSNQZSA-N 2 0 352.478 3.528 20 0 FHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000422957848 943350117 /nfs/dbraw/zinc/35/01/17/943350117.db2.gz VLFLILOMLMBVFB-ZWKOTPCHSA-N 2 0 350.491 3.872 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422975932 943355782 /nfs/dbraw/zinc/35/57/82/943355782.db2.gz CDHAUFKCOPGPGZ-QAPCUYQASA-N 2 0 366.933 3.572 20 0 FHADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000435374392 943356056 /nfs/dbraw/zinc/35/60/56/943356056.db2.gz XCMUMGUZNIKURP-UHFFFAOYSA-N 2 0 371.506 3.886 20 0 FHADRP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)n(-c2ccccc2)n1 ZINC000423002022 943361265 /nfs/dbraw/zinc/36/12/65/943361265.db2.gz YCYQJGZDSNSAST-WBVHZDCISA-N 2 0 363.509 3.625 20 0 FHADRP CCC1(C[NH2+][C@@H](C)c2cnccc2N)CC[NH+](Cc2ccccc2)CC1 ZINC000423004171 943361994 /nfs/dbraw/zinc/36/19/94/943361994.db2.gz OIEKQLDVORFQTD-SFHVURJKSA-N 2 0 352.526 3.837 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423009760 943363657 /nfs/dbraw/zinc/36/36/57/943363657.db2.gz DTWFNFWZKUAVMJ-GKCIPKSASA-N 2 0 358.917 3.598 20 0 FHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423010496 943364310 /nfs/dbraw/zinc/36/43/10/943364310.db2.gz GPSFWGOQGULKPR-KBPBESRZSA-N 2 0 365.827 3.772 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCSCc1ccc(Cl)cc1Cl ZINC000423017307 943365595 /nfs/dbraw/zinc/36/55/95/943365595.db2.gz OJIXNGLSDCHYPG-PJODQICGSA-N 2 0 363.354 3.569 20 0 FHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019703 943366583 /nfs/dbraw/zinc/36/65/83/943366583.db2.gz WUYKQGFAJXNLKA-YWASFDNLSA-N 2 0 370.468 3.747 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000435377007 943366653 /nfs/dbraw/zinc/36/66/53/943366653.db2.gz XBAITTCJQYLAAT-DOTOQJQBSA-N 2 0 350.466 3.610 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cs1 ZINC000435378313 943366837 /nfs/dbraw/zinc/36/68/37/943366837.db2.gz CWPRWCIGPZNBNH-JJTKIYQPSA-N 2 0 357.523 3.745 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000435380342 943368888 /nfs/dbraw/zinc/36/88/88/943368888.db2.gz NSJODFOTVSYCID-IRXDYDNUSA-N 2 0 350.466 3.610 20 0 FHADRP C[N@@H+]1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022947 943369943 /nfs/dbraw/zinc/36/99/43/943369943.db2.gz ISHIISYELWPADL-UTRMSSBJSA-N 2 0 353.913 3.722 20 0 FHADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033137 943371860 /nfs/dbraw/zinc/37/18/60/943371860.db2.gz WTCQNGZFQDGEPA-KXYFNNKZSA-N 2 0 370.468 3.747 20 0 FHADRP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000423033670 943372468 /nfs/dbraw/zinc/37/24/68/943372468.db2.gz OWGWMTRFRSJBQN-CEXWTWQISA-N 2 0 372.488 3.709 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000435387306 943374907 /nfs/dbraw/zinc/37/49/07/943374907.db2.gz ZIELIZGIUUUNPO-UHFFFAOYSA-N 2 0 354.494 3.706 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000423042166 943375214 /nfs/dbraw/zinc/37/52/14/943375214.db2.gz KJJXIBHJYQAPCH-OXJNMPFZSA-N 2 0 374.500 3.673 20 0 FHADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OC(C)C ZINC000423056924 943377123 /nfs/dbraw/zinc/37/71/23/943377123.db2.gz YGJILOLQTSTZJT-YCRPNKLZSA-N 2 0 357.498 3.674 20 0 FHADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(-c2ccccc2)cc1OC ZINC000435390977 943377984 /nfs/dbraw/zinc/37/79/84/943377984.db2.gz CVDYSAAVKALNKG-MRXNPFEDSA-N 2 0 354.494 3.930 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000423060020 943378141 /nfs/dbraw/zinc/37/81/41/943378141.db2.gz HDWFVFZAKJGAGF-DLBZAZTESA-N 2 0 373.310 3.773 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423076184 943383068 /nfs/dbraw/zinc/38/30/68/943383068.db2.gz YJNUKIRXBSYWCP-SWLSCSKDSA-N 2 0 358.313 3.596 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423051406 943383912 /nfs/dbraw/zinc/38/39/12/943383912.db2.gz OCYZJTXEEKBVPC-NSHDSACASA-N 2 0 373.298 3.943 20 0 FHADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423079064 943386228 /nfs/dbraw/zinc/38/62/28/943386228.db2.gz PWFMPCFUKZVYNW-KPUOSGPGSA-N 2 0 364.489 3.610 20 0 FHADRP c1ccc(CN2CCSC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423080674 943387097 /nfs/dbraw/zinc/38/70/97/943387097.db2.gz ZUWCCMOQZDDYQK-DXBBTUNJSA-N 2 0 373.610 3.504 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097760 943393390 /nfs/dbraw/zinc/39/33/90/943393390.db2.gz BIGWTBACRNCIBD-AZUAARDMSA-N 3 0 359.558 3.560 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423102063 943394727 /nfs/dbraw/zinc/39/47/27/943394727.db2.gz JORVIZHRZGSBPS-MSOLQXFVSA-N 2 0 374.447 3.517 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423114372 943396005 /nfs/dbraw/zinc/39/60/05/943396005.db2.gz VJEAUEIOSOCGGL-XIKOKIGWSA-N 2 0 368.308 3.930 20 0 FHADRP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414717628 943396903 /nfs/dbraw/zinc/39/69/03/943396903.db2.gz UPRAKDNZHXMSJS-GOSISDBHSA-N 2 0 360.546 3.946 20 0 FHADRP COc1cccc(C2(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000423127441 943398924 /nfs/dbraw/zinc/39/89/24/943398924.db2.gz TVYMELBGSNWCGB-OFNKIYASSA-N 2 0 364.489 3.572 20 0 FHADRP COc1cc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423127225 943399144 /nfs/dbraw/zinc/39/91/44/943399144.db2.gz BQWAUCJSGVBBHX-WIYYLYMNSA-N 2 0 372.896 3.737 20 0 FHADRP FC(F)(F)c1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423103701 943401219 /nfs/dbraw/zinc/40/12/19/943401219.db2.gz XVYPEQMOCLHGLY-WSIUPNEHSA-N 2 0 368.443 3.698 20 0 FHADRP Cn1cnc2cc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435421555 943401780 /nfs/dbraw/zinc/40/17/80/943401780.db2.gz JZRNVLWHORDMLL-HXUWFJFHSA-N 2 0 366.534 3.779 20 0 FHADRP c1cc(C[N@H+](Cc2cccc3c2OCCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425087 943405126 /nfs/dbraw/zinc/40/51/26/943405126.db2.gz BQOSYQFQSHOSMT-LJQANCHMSA-N 2 0 370.518 3.664 20 0 FHADRP CSc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000423144754 943406873 /nfs/dbraw/zinc/40/68/73/943406873.db2.gz HVJXEPYSEOMDBB-XOBRGWDASA-N 2 0 358.555 3.524 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCCC1 ZINC000423147540 943407436 /nfs/dbraw/zinc/40/74/36/943407436.db2.gz CTKQCFBKCRRQEO-ZYSHUDEJSA-N 2 0 350.934 3.884 20 0 FHADRP CCn1ccnc1C[N@H+](CCCc1cccc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000503919073 943408640 /nfs/dbraw/zinc/40/86/40/943408640.db2.gz ZEYNJTKQKDZGQA-FQEVSTJZSA-N 2 0 370.516 3.619 20 0 FHADRP C[C@@H]([NH2+]CC1(c2ccccc2Br)CCCCC1)C1C[NH2+]C1 ZINC000423155133 943411850 /nfs/dbraw/zinc/41/18/50/943411850.db2.gz QDTFQVUWOSKRGZ-CQSZACIVSA-N 2 0 351.332 3.849 20 0 FHADRP Cc1ccc(OCc2nc(C[NH2+]CC3(C)CC[NH+](C)CC3)cs2)cc1 ZINC000503911142 943416300 /nfs/dbraw/zinc/41/63/00/943416300.db2.gz PIEMIGORKQZWBF-UHFFFAOYSA-N 2 0 359.539 3.852 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000503913020 943417809 /nfs/dbraw/zinc/41/78/09/943417809.db2.gz UPZHCQTXRLCMQK-ZTFGCOKTSA-N 2 0 356.457 3.828 20 0 FHADRP c1csc(C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000414722545 943431444 /nfs/dbraw/zinc/43/14/44/943431444.db2.gz MMZZYHHMXAOGKF-GBESFXJTSA-N 2 0 353.535 3.891 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@@H]3C2)cc1 ZINC000423215892 943446466 /nfs/dbraw/zinc/44/64/66/943446466.db2.gz PDADYADARLAQSS-VBXVLJIWSA-N 3 0 353.554 3.550 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423219094 943447660 /nfs/dbraw/zinc/44/76/60/943447660.db2.gz WCBQYFWKIMACIK-RHSMWYFYSA-N 2 0 357.523 3.785 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423245420 943457208 /nfs/dbraw/zinc/45/72/08/943457208.db2.gz IVACIUJCELRHKJ-QWRGUYRKSA-N 2 0 350.356 3.540 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000423252627 943459618 /nfs/dbraw/zinc/45/96/18/943459618.db2.gz XXBGKZXPWODVHM-BWAGFHJFSA-N 2 0 361.574 3.536 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423250429 943459645 /nfs/dbraw/zinc/45/96/45/943459645.db2.gz VAJOPQYMCZCBHM-CDNPAEQRSA-N 2 0 366.553 3.705 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423256468 943460649 /nfs/dbraw/zinc/46/06/49/943460649.db2.gz FFTSRWLGDQTAJM-SCTDSRPQSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423256466 943460745 /nfs/dbraw/zinc/46/07/45/943460745.db2.gz FFTSRWLGDQTAJM-JENIJYKNSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000423317999 943473997 /nfs/dbraw/zinc/47/39/97/943473997.db2.gz YYEDVZXGNGGQAM-QGZVFWFLSA-N 2 0 351.494 3.622 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)CC2)CC1 ZINC000187334789 943476168 /nfs/dbraw/zinc/47/61/68/943476168.db2.gz LGUXXKSMWGLEPD-UHFFFAOYSA-N 2 0 369.553 3.728 20 0 FHADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000515052900 943477238 /nfs/dbraw/zinc/47/72/38/943477238.db2.gz OBGBDMDVMCXVIU-HMXCVIKNSA-N 2 0 354.542 3.947 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)c2ccccc2N(C)C)cc1 ZINC000423346050 943478546 /nfs/dbraw/zinc/47/85/46/943478546.db2.gz YHPHUVHSOGBWBJ-ORYQWCPZSA-N 2 0 353.510 3.558 20 0 FHADRP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414736210 943485748 /nfs/dbraw/zinc/48/57/48/943485748.db2.gz MUHSBEHYAJCHTJ-OLZOCXBDSA-N 2 0 358.313 3.642 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(F)cc2)CC1 ZINC000423354873 943489258 /nfs/dbraw/zinc/48/92/58/943489258.db2.gz ODLGWAWWNQYSGA-QFIPXVFZSA-N 3 0 359.533 3.888 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000423360299 943491231 /nfs/dbraw/zinc/49/12/31/943491231.db2.gz QKEGWLRPCUYMNE-DYESRHJHSA-N 2 0 351.494 3.582 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423399712 943503045 /nfs/dbraw/zinc/50/30/45/943503045.db2.gz PVVPXZDNJBYAPY-LLGFUMIMSA-N 2 0 364.493 3.562 20 0 FHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423399713 943503326 /nfs/dbraw/zinc/50/33/26/943503326.db2.gz PVVPXZDNJBYAPY-WWMYMODYSA-N 2 0 364.493 3.562 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423376714 943504011 /nfs/dbraw/zinc/50/40/11/943504011.db2.gz YMHMAEYUZPXYTD-KBAYOESNSA-N 2 0 350.478 3.566 20 0 FHADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000423419506 943504500 /nfs/dbraw/zinc/50/45/00/943504500.db2.gz IYHNPIWZAIUUNI-BPUTZDHNSA-N 2 0 361.921 3.645 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423406129 943508636 /nfs/dbraw/zinc/50/86/36/943508636.db2.gz YOFJTZBFGHNANY-KNKQGSTJSA-N 2 0 354.494 3.847 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cccc(OCC[NH+](C)C)c1 ZINC000423409302 943509187 /nfs/dbraw/zinc/50/91/87/943509187.db2.gz BPNXGAJFAGUSHC-QGZVFWFLSA-N 2 0 353.510 3.836 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423411507 943510561 /nfs/dbraw/zinc/51/05/61/943510561.db2.gz URTXLSGPLWEPRU-IEBWSBKVSA-N 2 0 350.934 3.972 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423444136 943513133 /nfs/dbraw/zinc/51/31/33/943513133.db2.gz QWLYYDGLBLDSGE-IAOVAPTHSA-N 2 0 353.279 3.553 20 0 FHADRP COC[C@]1(CN[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430024 943516752 /nfs/dbraw/zinc/51/67/52/943516752.db2.gz PGHLNTMTYMNTFS-LAUBAEHRSA-N 2 0 371.550 3.854 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423458826 943521452 /nfs/dbraw/zinc/52/14/52/943521452.db2.gz QKMPEVYALBRLFJ-GUYCJALGSA-N 2 0 355.320 3.634 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423464141 943523379 /nfs/dbraw/zinc/52/33/79/943523379.db2.gz GRPDCWBEKPBRPR-JGGQBBKZSA-N 2 0 353.304 3.770 20 0 FHADRP CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435626476 943526834 /nfs/dbraw/zinc/52/68/34/943526834.db2.gz KQUMXCOXIAQRGK-CQSZACIVSA-N 2 0 358.313 3.786 20 0 FHADRP CC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435627756 943526894 /nfs/dbraw/zinc/52/68/94/943526894.db2.gz SHLFPGASCCLFGI-KRWDZBQOSA-N 2 0 360.477 3.581 20 0 FHADRP CC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435627758 943527031 /nfs/dbraw/zinc/52/70/31/943527031.db2.gz SHLFPGASCCLFGI-QGZVFWFLSA-N 2 0 360.477 3.581 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417350591 943529172 /nfs/dbraw/zinc/52/91/72/943529172.db2.gz AJBNYXOQFMSUIV-OAQYLSRUSA-N 2 0 374.573 3.577 20 0 FHADRP COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C(C)C)c(Br)c1 ZINC000423499199 943529745 /nfs/dbraw/zinc/52/97/45/943529745.db2.gz HOLWKJGJFKCDAX-GDZNZVCISA-N 2 0 355.320 3.872 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423500188 943530161 /nfs/dbraw/zinc/53/01/61/943530161.db2.gz KELFIYJRZBFJBY-FOIQADDNSA-N 2 0 355.482 3.784 20 0 FHADRP Fc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423500989 943530345 /nfs/dbraw/zinc/53/03/45/943530345.db2.gz CKIFWFZMLRHQTQ-VNXZQDSDSA-N 2 0 367.512 3.721 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423507377 943532427 /nfs/dbraw/zinc/53/24/27/943532427.db2.gz QAAXOPOCFWGEOR-NTKDMRAZSA-N 2 0 365.565 3.934 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345503 943532759 /nfs/dbraw/zinc/53/27/59/943532759.db2.gz SBNONAKCIFKJFB-GEALJGNFSA-N 2 0 356.535 3.597 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347269 943535141 /nfs/dbraw/zinc/53/51/41/943535141.db2.gz VQNIQDMLTOCEJS-MBPVOVBZSA-N 2 0 370.562 3.987 20 0 FHADRP COCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423531633 943539084 /nfs/dbraw/zinc/53/90/84/943539084.db2.gz SZLHQWZUMLECHR-HVLZBCLKSA-N 2 0 358.526 3.516 20 0 FHADRP Clc1ccc([C@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423511805 943541082 /nfs/dbraw/zinc/54/10/82/943541082.db2.gz PFARNCXMTLHEID-AFVILVPDSA-N 2 0 361.961 3.782 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423513289 943542240 /nfs/dbraw/zinc/54/22/40/943542240.db2.gz RPKWNSZLJCBZJM-HPDBWDTBSA-N 2 0 367.990 3.700 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423517474 943543439 /nfs/dbraw/zinc/54/34/39/943543439.db2.gz YXEINCAXYZOWQD-CDNPAEQRSA-N 2 0 351.538 3.749 20 0 FHADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423527403 943547316 /nfs/dbraw/zinc/54/73/16/943547316.db2.gz MJDIXCXASDNCRM-QGZVFWFLSA-N 2 0 364.493 3.706 20 0 FHADRP COc1ccc2cc([C@@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)ccc2c1 ZINC000423526639 943547435 /nfs/dbraw/zinc/54/74/35/943547435.db2.gz ZURMFACMDDLMOC-PPNDLDFTSA-N 2 0 367.537 3.715 20 0 FHADRP CC(C)c1nc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000423557042 943547828 /nfs/dbraw/zinc/54/78/28/943547828.db2.gz IKVNYEORDGZFAL-QGZVFWFLSA-N 2 0 372.582 3.911 20 0 FHADRP c1ccc(C[N@H+]2C[C@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423538022 943551088 /nfs/dbraw/zinc/55/10/88/943551088.db2.gz LVOFVCXVRUAQLU-DNVJHFABSA-N 2 0 353.554 3.577 20 0 FHADRP NC1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423541920 943552830 /nfs/dbraw/zinc/55/28/30/943552830.db2.gz BCSPBGZSRALPSQ-HSZRJFAPSA-N 2 0 363.549 3.591 20 0 FHADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000423545465 943553426 /nfs/dbraw/zinc/55/34/26/943553426.db2.gz CQELHZGKYGOLDT-OAQYLSRUSA-N 2 0 355.501 3.860 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000423551800 943554858 /nfs/dbraw/zinc/55/48/58/943554858.db2.gz UGHHGVNDHBKHKB-GWOFKNCZSA-N 2 0 354.469 3.901 20 0 FHADRP NC1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423566450 943558037 /nfs/dbraw/zinc/55/80/37/943558037.db2.gz LVGURLMGFVMHGY-QFIPXVFZSA-N 2 0 367.512 3.860 20 0 FHADRP Cn1ccnc1C[N@H+](CCc1ccc2ccccc2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690916 943558840 /nfs/dbraw/zinc/55/88/40/943558840.db2.gz CDBFDESBYCOGCJ-QFIPXVFZSA-N 2 0 374.532 3.760 20 0 FHADRP NC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423578756 943562200 /nfs/dbraw/zinc/56/22/00/943562200.db2.gz VAAAJHMFHNALCV-JOCHJYFZSA-N 2 0 364.537 3.506 20 0 FHADRP COc1cc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000515204642 943565503 /nfs/dbraw/zinc/56/55/03/943565503.db2.gz JQYPWIVTCHVDCU-BZSNNMDCSA-N 2 0 353.510 3.897 20 0 FHADRP C[C@@H]1C[C@H](C[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414754950 943584485 /nfs/dbraw/zinc/58/44/85/943584485.db2.gz OHTQMKHJAFPOBG-NVXWUHKLSA-N 2 0 370.368 3.542 20 0 FHADRP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000423775561 943614455 /nfs/dbraw/zinc/61/44/55/943614455.db2.gz PEKMDHVDMUGZAU-UTKZUKDTSA-N 2 0 351.494 3.600 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000424111153 943736100 /nfs/dbraw/zinc/73/61/00/943736100.db2.gz FVNCHMAPUXLHMW-PXNSSMCTSA-N 2 0 357.542 3.550 20 0 FHADRP [NH3+][C@H](CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178782 943762096 /nfs/dbraw/zinc/76/20/96/943762096.db2.gz WVISLVKNSCUXSR-ZVDOUQERSA-N 2 0 361.574 3.540 20 0 FHADRP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCCC[NH3+] ZINC000414903226 943766480 /nfs/dbraw/zinc/76/64/80/943766480.db2.gz LGOGVNIYINGWSS-UHFFFAOYSA-N 2 0 368.456 3.941 20 0 FHADRP CN(c1ccccc1)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000435782158 943767445 /nfs/dbraw/zinc/76/74/45/943767445.db2.gz OSTBDMFLCKNRSD-VCSGRIEYSA-N 2 0 350.510 3.954 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000516859971 943774148 /nfs/dbraw/zinc/77/41/48/943774148.db2.gz UHPMBFMMMVGMPP-FPOVZHCZSA-N 2 0 363.590 3.539 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000414778004 943779739 /nfs/dbraw/zinc/77/97/39/943779739.db2.gz IUOPXOXIZRHQGC-JKSUJKDBSA-N 2 0 352.906 3.569 20 0 FHADRP CC(C)CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000424197138 943782112 /nfs/dbraw/zinc/78/21/12/943782112.db2.gz WHGWMOHPYJHAOI-IBGZPJMESA-N 2 0 351.579 3.643 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417700324 943837846 /nfs/dbraw/zinc/83/78/46/943837846.db2.gz IKIFEQLJLDPQKG-MSOLQXFVSA-N 2 0 374.573 3.665 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]CC2(C)CC[NH2+]CC2)cs1)c1ccc(C)cc1 ZINC000414906008 943840945 /nfs/dbraw/zinc/84/09/45/943840945.db2.gz PLTWBQQCTYIISV-UHFFFAOYSA-N 2 0 372.538 3.615 20 0 FHADRP c1csc([C@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000424320997 943844025 /nfs/dbraw/zinc/84/40/25/943844025.db2.gz UCLPLSGIMIIOJA-QUCCMNQESA-N 2 0 371.550 3.517 20 0 FHADRP CC(C)[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491097 943856355 /nfs/dbraw/zinc/85/63/55/943856355.db2.gz GQMDRHMQGZCAEE-RBBKRZOGSA-N 2 0 371.569 3.620 20 0 FHADRP COc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)ccc1F ZINC000504899287 943876095 /nfs/dbraw/zinc/87/60/95/943876095.db2.gz DHUKSMSJVJPDOV-MRXNPFEDSA-N 2 0 360.473 3.668 20 0 FHADRP Clc1nccc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)sc21 ZINC000894290033 943881686 /nfs/dbraw/zinc/88/16/86/943881686.db2.gz XYONSDRBZUVGGU-CYBMUJFWSA-N 2 0 365.930 3.540 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(OCc3ccccn3)c1)CC[NH2+]CC2 ZINC000424378815 943888000 /nfs/dbraw/zinc/88/80/00/943888000.db2.gz NWZRAPHLWOZZFL-GOSISDBHSA-N 2 0 351.494 3.625 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+]2CCCC2)cc1 ZINC000424438205 943914347 /nfs/dbraw/zinc/91/43/47/943914347.db2.gz PKFPBYHHEGUNIU-OAQYLSRUSA-N 2 0 366.509 3.721 20 0 FHADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424441747 943915185 /nfs/dbraw/zinc/91/51/85/943915185.db2.gz WYXRPZNYETXXEB-UHFFFAOYSA-N 2 0 374.451 3.582 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)c1 ZINC000424444734 943917901 /nfs/dbraw/zinc/91/79/01/943917901.db2.gz NDWWBQVRKSEZKZ-UHFFFAOYSA-N 2 0 354.498 3.617 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000424445437 943918551 /nfs/dbraw/zinc/91/85/51/943918551.db2.gz OXXOXDXMAVPHFR-UHFFFAOYSA-N 2 0 366.509 3.761 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000424429048 943924837 /nfs/dbraw/zinc/92/48/37/943924837.db2.gz VPEXRONMMSXPKZ-JXFKEZNVSA-N 2 0 354.498 3.575 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000414798886 943979514 /nfs/dbraw/zinc/97/95/14/943979514.db2.gz ZPDVHFMQUUSORW-QUCCMNQESA-N 2 0 360.498 3.882 20 0 FHADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511643756 943980304 /nfs/dbraw/zinc/98/03/04/943980304.db2.gz FDRMCFTZBMMMEV-GUDVDZBRSA-N 2 0 357.542 3.915 20 0 FHADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000517162217 944053256 /nfs/dbraw/zinc/05/32/56/944053256.db2.gz ZNARHWUTYHKWJP-OFAXGOBFSA-N 2 0 373.585 3.931 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414812059 944103241 /nfs/dbraw/zinc/10/32/41/944103241.db2.gz QRXZIJXDUXSIRP-SFHVURJKSA-N 3 0 366.553 3.527 20 0 FHADRP Fc1ccc(C2CC([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)C2)cc1Cl ZINC000425898567 944117892 /nfs/dbraw/zinc/11/78/92/944117892.db2.gz ZJCTYAVZDZWETO-UHFFFAOYSA-N 2 0 363.864 3.970 20 0 FHADRP Cc1ccc2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)ccc2n1 ZINC000437794529 944122646 /nfs/dbraw/zinc/12/26/46/944122646.db2.gz DEHFDWSMOFEDMA-UHFFFAOYSA-N 2 0 367.537 3.868 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000436248245 944133708 /nfs/dbraw/zinc/13/37/08/944133708.db2.gz PPERWFOAOUMIIO-UHFFFAOYSA-N 2 0 359.901 3.745 20 0 FHADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500121087 944135704 /nfs/dbraw/zinc/13/57/04/944135704.db2.gz ZCXJTUVEEXHDKJ-QFIPXVFZSA-N 2 0 363.565 3.741 20 0 FHADRP C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000651469511 944145356 /nfs/dbraw/zinc/14/53/56/944145356.db2.gz PYIXRJJPZPMJDB-MXWWQKGMSA-N 2 0 356.457 3.828 20 0 FHADRP c1ccc([C@@H]2CC[C@H]([NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000436270485 944168457 /nfs/dbraw/zinc/16/84/57/944168457.db2.gz BBTUHIRLOVIYGR-YADHBBJMSA-N 2 0 364.537 3.520 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436274696 944171830 /nfs/dbraw/zinc/17/18/30/944171830.db2.gz MIFHTWVDTVGLRK-RTBURBONSA-N 2 0 372.532 3.918 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000436274694 944171871 /nfs/dbraw/zinc/17/18/71/944171871.db2.gz MIFHTWVDTVGLRK-KDURUIRLSA-N 2 0 372.532 3.918 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@H]1C ZINC000436296659 944181186 /nfs/dbraw/zinc/18/11/86/944181186.db2.gz SGHABJGARPSJSR-PIKOESSRSA-N 2 0 350.547 3.741 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000515756345 944184748 /nfs/dbraw/zinc/18/47/48/944184748.db2.gz ZNUMFLQUUVVQNW-ROUUACIJSA-N 2 0 359.558 3.701 20 0 FHADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000437869360 944188580 /nfs/dbraw/zinc/18/85/80/944188580.db2.gz FJSDRNZJALTKRN-NRFANRHFSA-N 2 0 372.557 3.663 20 0 FHADRP CSc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000436312970 944192170 /nfs/dbraw/zinc/19/21/70/944192170.db2.gz KYPKJOJPKBIYHC-DYESRHJHSA-N 2 0 355.551 3.846 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517330444 944225369 /nfs/dbraw/zinc/22/53/69/944225369.db2.gz AKJXEHURMHNOLX-UMVBOHGHSA-N 2 0 357.420 3.530 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136711928 944230625 /nfs/dbraw/zinc/23/06/25/944230625.db2.gz PGOIHLPUQWEJLJ-FQEVSTJZSA-N 2 0 358.526 3.743 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(C2CC2)c1 ZINC000517400613 944255674 /nfs/dbraw/zinc/25/56/74/944255674.db2.gz GOEPSGIYNXBECD-QGZVFWFLSA-N 2 0 365.521 3.706 20 0 FHADRP C[C@]1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000311173270 944301208 /nfs/dbraw/zinc/30/12/08/944301208.db2.gz USMIUOQJCUPNMK-OKZBNKHCSA-N 2 0 356.432 3.598 20 0 FHADRP CC(C)N(C(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483932 944322002 /nfs/dbraw/zinc/32/20/02/944322002.db2.gz CXCDAOSXDLZCNV-AABGKKOBSA-N 2 0 351.579 3.607 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000439091105 944329937 /nfs/dbraw/zinc/32/99/37/944329937.db2.gz YOBUMRLODZCNPE-SJORKVTESA-N 2 0 361.530 3.959 20 0 FHADRP Cc1nnsc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835797 944344747 /nfs/dbraw/zinc/34/47/47/944344747.db2.gz HNETZYOVYMBEFE-HXUWFJFHSA-N 2 0 370.566 3.969 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373307 944362674 /nfs/dbraw/zinc/36/26/74/944362674.db2.gz OVCMUWGIIKODHY-UWWQBHOKSA-N 2 0 358.448 3.632 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000660373305 944363075 /nfs/dbraw/zinc/36/30/75/944363075.db2.gz OVCMUWGIIKODHY-KYJSFNMBSA-N 2 0 358.448 3.632 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000111661250 944384308 /nfs/dbraw/zinc/38/43/08/944384308.db2.gz KXFGVFQQXODXEC-JOCHJYFZSA-N 2 0 371.569 3.622 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC000426306791 944432471 /nfs/dbraw/zinc/43/24/71/944432471.db2.gz LNDSUSFTNZKLMH-DOTOQJQBSA-N 2 0 350.576 3.837 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000426316854 944444980 /nfs/dbraw/zinc/44/49/80/944444980.db2.gz KASCSEZRRUUFPX-UHFFFAOYSA-N 2 0 359.558 3.655 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981951 944492470 /nfs/dbraw/zinc/49/24/70/944492470.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 2 0 367.581 3.892 20 0 FHADRP Fc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550263257 944598945 /nfs/dbraw/zinc/59/89/45/944598945.db2.gz MFNWUCOSDBJWMP-OAQYLSRUSA-N 2 0 368.496 3.844 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)Oc1ccc(Cl)cc1 ZINC000608069135 944602339 /nfs/dbraw/zinc/60/23/39/944602339.db2.gz WSOMIHGVXJYREP-INIZCTEOSA-N 2 0 362.901 3.838 20 0 FHADRP COc1ccc(OC)c(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398209704 944614784 /nfs/dbraw/zinc/61/47/84/944614784.db2.gz RWIVFXORIPORQY-UWJYYQICSA-N 2 0 354.494 3.704 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)NC3(C[NH+](C)C)CCC3)c2)CC1 ZINC000439441187 944619621 /nfs/dbraw/zinc/61/96/21/944619621.db2.gz PRSWATUNCIYYLU-UHFFFAOYSA-N 2 0 372.557 3.567 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727230 944656903 /nfs/dbraw/zinc/65/69/03/944656903.db2.gz AQRIBAXHUIQWSN-SJORKVTESA-N 2 0 363.552 3.590 20 0 FHADRP COC(=O)C1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000426035204 944680374 /nfs/dbraw/zinc/68/03/74/944680374.db2.gz LDFSPLAQYYFPFV-GJHJYOIJSA-N 2 0 358.526 3.609 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000506862585 944692705 /nfs/dbraw/zinc/69/27/05/944692705.db2.gz RPSHDLPLKAKDML-SFHVURJKSA-N 2 0 351.560 3.939 20 0 FHADRP CCCOc1c(Cl)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000506879058 944697928 /nfs/dbraw/zinc/69/79/28/944697928.db2.gz AUTRLVSNRMJBHH-UHFFFAOYSA-N 2 0 354.922 3.911 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000500388016 944725218 /nfs/dbraw/zinc/72/52/18/944725218.db2.gz XKDLGYOREYTGMN-YHKKIHSWSA-N 2 0 369.475 3.724 20 0 FHADRP CCC([NH3+])(CC)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429658254 944746978 /nfs/dbraw/zinc/74/69/78/944746978.db2.gz HQYYGFFXTFKTOM-UHFFFAOYSA-N 2 0 353.510 3.566 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000426422976 944752556 /nfs/dbraw/zinc/75/25/56/944752556.db2.gz XOBQTKMEHWGWSW-UHFFFAOYSA-N 2 0 361.555 3.928 20 0 FHADRP C[NH+](C)CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000195203612 944827078 /nfs/dbraw/zinc/82/70/78/944827078.db2.gz JUSFHMWJPIVKRG-JXFKEZNVSA-N 2 0 355.567 3.590 20 0 FHADRP CCOc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414937681 944849240 /nfs/dbraw/zinc/84/92/40/944849240.db2.gz IAERLMHDCYPUET-UHFFFAOYSA-N 2 0 354.494 3.896 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415004104 944892630 /nfs/dbraw/zinc/89/26/30/944892630.db2.gz NSVUYVHDWHPQMT-QFBILLFUSA-N 2 0 370.541 3.921 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884747 944903480 /nfs/dbraw/zinc/90/34/80/944903480.db2.gz MNICIHSKXDDHMB-VQIMIIECSA-N 2 0 365.949 3.571 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1)C1CC1 ZINC000511681834 944913622 /nfs/dbraw/zinc/91/36/22/944913622.db2.gz PSDWXWSGRRJDLN-UHFFFAOYSA-N 2 0 371.569 3.865 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681900 944913976 /nfs/dbraw/zinc/91/39/76/944913976.db2.gz QGLBZEUQJRMOAD-CEXWTWQISA-N 2 0 371.569 3.767 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518028635 944948578 /nfs/dbraw/zinc/94/85/78/944948578.db2.gz RDIJENOBLAMLMW-RZUBCFFCSA-N 2 0 371.569 3.525 20 0 FHADRP CC[C@@](C)(O)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000439769695 944973781 /nfs/dbraw/zinc/97/37/81/944973781.db2.gz OYESNWHONJYNLN-JOCHJYFZSA-N 2 0 364.493 3.739 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414947241 944990480 /nfs/dbraw/zinc/99/04/80/944990480.db2.gz VXBURNPUXZXITI-NOZJJQNGSA-N 2 0 351.210 3.556 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000427011650 944996607 /nfs/dbraw/zinc/99/66/07/944996607.db2.gz HZLSMWVDVXWSNQ-UHFFFAOYSA-N 2 0 350.503 3.573 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000262002251 945000824 /nfs/dbraw/zinc/00/08/24/945000824.db2.gz UEOGDYZXDCRRNT-GFCCVEGCSA-N 2 0 352.404 3.655 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000518086044 945005687 /nfs/dbraw/zinc/00/56/87/945005687.db2.gz SGDDFXKVJZNDMR-RTBURBONSA-N 2 0 374.573 3.591 20 0 FHADRP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000660675711 945382987 /nfs/dbraw/zinc/38/29/87/945382987.db2.gz LDRDVBZLRBUQDL-FQEVSTJZSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC[C@]3(CCCC(=O)N3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048170 945397528 /nfs/dbraw/zinc/39/75/28/945397528.db2.gz UXBHMMIOEPABDM-MHXAIHSWSA-N 2 0 369.553 3.563 20 0 FHADRP CCCC[NH+]1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000164491550 945525534 /nfs/dbraw/zinc/52/55/34/945525534.db2.gz QWYIACJYFPGKEK-UHFFFAOYSA-N 2 0 355.526 3.673 20 0 FHADRP C[C@@H]1CC([NH+]2CCC3(CCCC(=O)N3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168048652 945564246 /nfs/dbraw/zinc/56/42/46/945564246.db2.gz XGZMHNMETQLOOG-RTBURBONSA-N 2 0 369.553 3.563 20 0 FHADRP CCN(C(=O)NCCC[NH+](CC)CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473879498 945572865 /nfs/dbraw/zinc/57/28/65/945572865.db2.gz URBJOUYRIGDGGV-FPOVZHCZSA-N 2 0 374.573 3.585 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)C[C@@H](C)O1 ZINC000651672919 945597686 /nfs/dbraw/zinc/59/76/86/945597686.db2.gz PKRASURDSYJCJC-IAGOWNOFSA-N 2 0 365.477 3.727 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000651674055 945605831 /nfs/dbraw/zinc/60/58/31/945605831.db2.gz AJXILQWOFPZXDR-XXBNENTESA-N 2 0 366.553 3.671 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000519702851 945651917 /nfs/dbraw/zinc/65/19/17/945651917.db2.gz IWEFWVICPZJCGK-UHFFFAOYSA-N 2 0 373.585 3.765 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000519529816 945674709 /nfs/dbraw/zinc/67/47/09/945674709.db2.gz VMBLZFDUENXSIM-IBGZPJMESA-N 2 0 374.916 3.874 20 0 FHADRP CC[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167970393 945776268 /nfs/dbraw/zinc/77/62/68/945776268.db2.gz JFVCUQDYKWKDPG-MVCQKVDPSA-N 2 0 365.562 3.675 20 0 FHADRP Cc1ccc2[nH]c(C[NH2+]Cc3ccncc3OCCC[NH+](C)C)cc2c1C ZINC000519849623 945817268 /nfs/dbraw/zinc/81/72/68/945817268.db2.gz VTRLFLMRTYCJMC-UHFFFAOYSA-N 2 0 366.509 3.800 20 0 FHADRP Brc1cnccc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000281793073 945850552 /nfs/dbraw/zinc/85/05/52/945850552.db2.gz ICHGNWNPHXUEHE-UHFFFAOYSA-N 2 0 361.287 3.761 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000415908027 945898335 /nfs/dbraw/zinc/89/83/35/945898335.db2.gz CINFREVCGMRVJQ-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000415928903 945923403 /nfs/dbraw/zinc/92/34/03/945923403.db2.gz GVOXQIUQASBTET-UWJYYQICSA-N 2 0 368.525 3.917 20 0 FHADRP FC(F)(F)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[nH]n1 ZINC000440805818 945930684 /nfs/dbraw/zinc/93/06/84/945930684.db2.gz JZHHUXJGISQEFA-UHFFFAOYSA-N 2 0 352.404 3.704 20 0 FHADRP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000550121949 945962165 /nfs/dbraw/zinc/96/21/65/945962165.db2.gz CQRLYKVVYDSWLK-ZDUSSCGKSA-N 2 0 351.947 3.589 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594521082 946074360 /nfs/dbraw/zinc/07/43/60/946074360.db2.gz LMFAYLDPJITEIN-PKRLLGJHSA-N 2 0 364.574 3.841 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000302644572 946268730 /nfs/dbraw/zinc/26/87/30/946268730.db2.gz IYZPRYGUGKZOPG-KRWDZBQOSA-N 2 0 354.542 3.791 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042908639 946333900 /nfs/dbraw/zinc/33/39/00/946333900.db2.gz NXEIAZSDSVJPND-UHFFFAOYSA-N 2 0 374.573 3.635 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000123987281 946385124 /nfs/dbraw/zinc/38/51/24/946385124.db2.gz VRGXHYJXQHSSOZ-UHFFFAOYSA-N 2 0 352.526 3.682 20 0 FHADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840778429 946402489 /nfs/dbraw/zinc/40/24/89/946402489.db2.gz BMNYRYMCWRWVHG-FUHWJXTLSA-N 2 0 358.486 3.507 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652170031 946433785 /nfs/dbraw/zinc/43/37/85/946433785.db2.gz YVTCNZFKOHGWIE-BHDDXSALSA-N 2 0 357.542 3.670 20 0 FHADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652170033 946434103 /nfs/dbraw/zinc/43/41/03/946434103.db2.gz YVTCNZFKOHGWIE-YPAWHYETSA-N 2 0 357.542 3.670 20 0 FHADRP CC(C)C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000475129138 946434729 /nfs/dbraw/zinc/43/47/29/946434729.db2.gz LMULYIZOWSVLGC-RBUKOAKNSA-N 2 0 373.566 3.844 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475130366 946435924 /nfs/dbraw/zinc/43/59/24/946435924.db2.gz VYMYYQCVRJVEHT-UHFFFAOYSA-N 2 0 358.917 3.894 20 0 FHADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000475130233 946437070 /nfs/dbraw/zinc/43/70/70/946437070.db2.gz MXVVKPFEBNPRFC-UXHICEINSA-N 2 0 373.928 3.800 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1(C)C ZINC000441350630 946502840 /nfs/dbraw/zinc/50/28/40/946502840.db2.gz BYGGCPAGSUWYBL-UHFFFAOYSA-N 2 0 371.500 3.734 20 0 FHADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000661775655 946617857 /nfs/dbraw/zinc/61/78/57/946617857.db2.gz UYKPUVICTKLAPA-GOTSBHOMSA-N 2 0 366.553 3.907 20 0 FHADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000192745273 946633905 /nfs/dbraw/zinc/63/39/05/946633905.db2.gz MIULSDVVGRMIFD-KBRMVUAJSA-N 2 0 354.469 3.644 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000475555648 946638355 /nfs/dbraw/zinc/63/83/55/946638355.db2.gz RDFQKAKSFRQSKT-UHFFFAOYSA-N 2 0 355.873 3.903 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000536266523 946660769 /nfs/dbraw/zinc/66/07/69/946660769.db2.gz FEQFLCQUADHVFC-BDTNDASRSA-N 2 0 365.521 3.631 20 0 FHADRP C[NH2+]CCc1c(C)nn(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001168059470 946698016 /nfs/dbraw/zinc/69/80/16/946698016.db2.gz FRTHKDRCPQFHHY-IRXDYDNUSA-N 2 0 354.542 3.876 20 0 FHADRP Cc1ccncc1C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475573177 946705357 /nfs/dbraw/zinc/70/53/57/946705357.db2.gz KNIPATJXPLLPNC-UHFFFAOYSA-N 2 0 352.526 3.552 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348047 946879098 /nfs/dbraw/zinc/87/90/98/946879098.db2.gz SMWRPLQQEFJGNI-GRZALLJUSA-N 2 0 372.431 3.865 20 0 FHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350447 946895111 /nfs/dbraw/zinc/89/51/11/946895111.db2.gz ZKZKKCSTUSRRJX-HUHSQHJXSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+]CCC1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000652359578 946920893 /nfs/dbraw/zinc/92/08/93/946920893.db2.gz GCMPSAZEVJCOMZ-UHFFFAOYSA-N 2 0 364.287 3.665 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360707 946928329 /nfs/dbraw/zinc/92/83/29/946928329.db2.gz OGUJMXUNENAKCN-XYPHTWIQSA-N 2 0 373.324 3.733 20 0 FHADRP Clc1ccccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995714 946981570 /nfs/dbraw/zinc/98/15/70/946981570.db2.gz OUDQTIOVWLJZKR-WCRBZPEASA-N 2 0 373.972 3.863 20 0 FHADRP Cc1noc([C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064608 947065462 /nfs/dbraw/zinc/06/54/62/947065462.db2.gz QRIFZMCXXRUBGW-JSJNYSNDSA-N 2 0 354.498 3.609 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995896 947065468 /nfs/dbraw/zinc/06/54/68/947065468.db2.gz UWHYIHDOGOUOBT-ZYGDZFMBSA-N 2 0 353.554 3.598 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650233 947101974 /nfs/dbraw/zinc/10/19/74/947101974.db2.gz DDJJQAIXLQVINN-MOPGFXCFSA-N 2 0 359.558 3.767 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192932187 947115306 /nfs/dbraw/zinc/11/53/06/947115306.db2.gz NIELWHUDXUNVAO-GOSISDBHSA-N 2 0 350.466 3.590 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192935074 947116373 /nfs/dbraw/zinc/11/63/73/947116373.db2.gz CLAUGCXYCWCWNN-FXAWDEMLSA-N 2 0 351.494 3.818 20 0 FHADRP C[C@@H]1CC([N@@H+]2CC[C@@H](Oc3ccncc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065674 947178502 /nfs/dbraw/zinc/17/85/02/947178502.db2.gz XLCIHCBXVNBMTD-DNVFCKCGSA-N 2 0 365.521 3.976 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000245641659 947218468 /nfs/dbraw/zinc/21/84/68/947218468.db2.gz DPMWDPRWBKRQSZ-XJKSGUPXSA-N 2 0 355.320 3.625 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246064025 947232850 /nfs/dbraw/zinc/23/28/50/947232850.db2.gz RREFIKSXOYKSEK-SFNKJDCFSA-N 2 0 363.521 3.574 20 0 FHADRP CCc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000125694101 947260559 /nfs/dbraw/zinc/26/05/59/947260559.db2.gz CEFKXQFOELZVQJ-UHFFFAOYSA-N 2 0 353.510 3.878 20 0 FHADRP CCc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(C)n1 ZINC000301333527 947290399 /nfs/dbraw/zinc/29/03/99/947290399.db2.gz FJTPPNIXYLNUNE-IYBDPMFKSA-N 2 0 354.498 3.569 20 0 FHADRP CC1(C)C[N@H+](CCC2(O)CCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663217212 947434815 /nfs/dbraw/zinc/43/48/15/947434815.db2.gz GLCYAGMCIHANMW-NRFANRHFSA-N 2 0 356.554 3.914 20 0 FHADRP C[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000188266855 947509718 /nfs/dbraw/zinc/50/97/18/947509718.db2.gz GNNBORGKLZGRAF-MRXNPFEDSA-N 2 0 373.928 3.525 20 0 FHADRP c1ccc(-c2noc(C3CC[NH+](Cc4cccc5c4CC[NH2+]C5)CC3)n2)cc1 ZINC000662256993 947675733 /nfs/dbraw/zinc/67/57/33/947675733.db2.gz LEOPSFKMWZYHOL-UHFFFAOYSA-N 2 0 374.488 3.762 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000165187172 947703667 /nfs/dbraw/zinc/70/36/67/947703667.db2.gz GBZXMMRGZLNNCY-QUGAMOGWSA-N 2 0 374.550 3.605 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)C1 ZINC000662286949 947709788 /nfs/dbraw/zinc/70/97/88/947709788.db2.gz URDNNWXVNCLWDK-YXJHDRRASA-N 2 0 354.947 3.650 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290861 947712575 /nfs/dbraw/zinc/71/25/75/947712575.db2.gz MDKPREJSBDZOFP-WBVHZDCISA-N 2 0 363.933 3.687 20 0 FHADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1F ZINC000662291692 947713852 /nfs/dbraw/zinc/71/38/52/947713852.db2.gz XMRXEQSQAUHTLT-HNNXBMFYSA-N 2 0 367.896 3.519 20 0 FHADRP Fc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)co2)cc1F ZINC000662291370 947714660 /nfs/dbraw/zinc/71/46/60/947714660.db2.gz FXWCDKRKRGGUKX-MRXNPFEDSA-N 2 0 361.436 3.831 20 0 FHADRP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662296799 947722519 /nfs/dbraw/zinc/72/25/19/947722519.db2.gz NMCNJHLWMFVXSI-QAPCUYQASA-N 2 0 372.488 3.957 20 0 FHADRP COCCC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000189398039 947725319 /nfs/dbraw/zinc/72/53/19/947725319.db2.gz DLHWSCMSANRTNO-JOCHJYFZSA-N 2 0 374.569 3.720 20 0 FHADRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)[C@@H]1CCC[NH3+] ZINC000662316420 947752379 /nfs/dbraw/zinc/75/23/79/947752379.db2.gz WMTQIVQKLULOPE-CXAGYDPISA-N 2 0 355.885 3.647 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)c1ccccc1Cl ZINC000662344425 947757535 /nfs/dbraw/zinc/75/75/35/947757535.db2.gz BCZYPCYLHIILCQ-FQEVSTJZSA-N 2 0 371.912 3.756 20 0 FHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376302 947758437 /nfs/dbraw/zinc/75/84/37/947758437.db2.gz LZJBELWHDJFKRB-QSFXBCCZSA-N 2 0 369.484 3.927 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000662412010 947784969 /nfs/dbraw/zinc/78/49/69/947784969.db2.gz ZPTGDZJBPXCEKQ-UNMCSNQZSA-N 2 0 365.521 3.618 20 0 FHADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344077 947806883 /nfs/dbraw/zinc/80/68/83/947806883.db2.gz NKSYXJYBUCOQIQ-PTUXOGIPSA-N 2 0 355.570 3.751 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347645 947820519 /nfs/dbraw/zinc/82/05/19/947820519.db2.gz REWJDVAGFGTFDA-KRWDZBQOSA-N 2 0 368.468 3.898 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]CCC(=O)N(C)c2ccccc2)c1 ZINC000663357079 947840533 /nfs/dbraw/zinc/84/05/33/947840533.db2.gz ADZSWJHGGHMCBA-UHFFFAOYSA-N 2 0 353.510 3.671 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662502347 947875827 /nfs/dbraw/zinc/87/58/27/947875827.db2.gz JYADZIBJNUQCQQ-FDFHNCONSA-N 2 0 371.569 3.511 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1)C(C)C ZINC000662589613 947916920 /nfs/dbraw/zinc/91/69/20/947916920.db2.gz KSOGPTJRDHXZLH-QFIPXVFZSA-N 2 0 371.569 3.769 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000549612267 948013444 /nfs/dbraw/zinc/01/34/44/948013444.db2.gz ULDPOHQBJCOVGA-WMQCIHAUSA-N 2 0 358.526 3.878 20 0 FHADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663445419 948024844 /nfs/dbraw/zinc/02/48/44/948024844.db2.gz ONHHKGSHHSXOGW-HNNXBMFYSA-N 2 0 373.360 3.544 20 0 FHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663463654 948049510 /nfs/dbraw/zinc/04/95/10/948049510.db2.gz ASZFHNBNVBCFEL-LMMKCTJWSA-N 2 0 360.542 3.907 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469284 948062303 /nfs/dbraw/zinc/06/23/03/948062303.db2.gz PMCAOHIRVSFWFP-WBVHZDCISA-N 2 0 363.933 3.769 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821148 948079357 /nfs/dbraw/zinc/07/93/57/948079357.db2.gz BVLDFHMROGMSIT-XLIONFOSSA-N 2 0 363.571 3.687 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C)[C@H]2c1ccccc1 ZINC001167822896 948092240 /nfs/dbraw/zinc/09/22/40/948092240.db2.gz BBUHOCNPWRCAFS-CTNGQTDRSA-N 2 0 371.569 3.792 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000663505288 948121335 /nfs/dbraw/zinc/12/13/35/948121335.db2.gz GVGLOIPORLETPT-ZWKOTPCHSA-N 2 0 351.579 3.562 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N2c3ccccc3CC2=O)CC1 ZINC001167826998 948134638 /nfs/dbraw/zinc/13/46/38/948134638.db2.gz SUKGWKXNYGMVLV-GOSISDBHSA-N 2 0 357.542 3.551 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC000512007733 948168547 /nfs/dbraw/zinc/16/85/47/948168547.db2.gz KLSYBVKKXDKXKH-OWOJBTEDSA-N 2 0 372.459 3.725 20 0 FHADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000520510138 948192901 /nfs/dbraw/zinc/19/29/01/948192901.db2.gz DXPSMGHLYROPLC-NRFANRHFSA-N 2 0 359.558 3.654 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000512023385 948212059 /nfs/dbraw/zinc/21/20/59/948212059.db2.gz FWIDVDXZQGBNJI-IBGZPJMESA-N 2 0 357.542 3.521 20 0 FHADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5nonc54)CC[C@@H]3C2)cc1 ZINC001203144083 948213542 /nfs/dbraw/zinc/21/35/42/948213542.db2.gz AXELSSGYJDIYMK-RTBURBONSA-N 2 0 362.477 3.567 20 0 FHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000549623528 948220000 /nfs/dbraw/zinc/22/00/00/948220000.db2.gz BJWGHVGUISYIRE-LEWJYISDSA-N 2 0 356.510 3.632 20 0 FHADRP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H](C)CCC[NH+](CC)CC)C1 ZINC001167833391 948222412 /nfs/dbraw/zinc/22/24/12/948222412.db2.gz ASLIJWADRGYCMR-CVEARBPZSA-N 2 0 352.592 3.569 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC001167833476 948225975 /nfs/dbraw/zinc/22/59/75/948225975.db2.gz BNKIXZYEKUUGOZ-OAHLLOKOSA-N 2 0 371.367 3.793 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002470 948239369 /nfs/dbraw/zinc/23/93/69/948239369.db2.gz TVLPMTNPTXKDLH-HPJCCJEISA-N 2 0 367.581 3.987 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001167833912 948241253 /nfs/dbraw/zinc/24/12/53/948241253.db2.gz FSFXLZXWVMLUNI-LJQANCHMSA-N 2 0 359.558 3.734 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001167834065 948246344 /nfs/dbraw/zinc/24/63/44/948246344.db2.gz HDTWOCAVKCGSMU-RCCFBDPRSA-N 2 0 355.567 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001167834138 948248277 /nfs/dbraw/zinc/24/82/77/948248277.db2.gz IADYBSPFXFHVFO-GOSISDBHSA-N 2 0 360.546 3.783 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)cc3F)C2)CC1 ZINC000507777068 948265369 /nfs/dbraw/zinc/26/53/69/948265369.db2.gz OWABPZWMWNRDOT-QFIPXVFZSA-N 2 0 367.512 3.705 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045627 948296308 /nfs/dbraw/zinc/29/63/08/948296308.db2.gz NUMPEZXBHRXQRQ-MJGOQNOKSA-N 2 0 372.582 3.595 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166694760 948335766 /nfs/dbraw/zinc/33/57/66/948335766.db2.gz MKFNHFWRIZEUSZ-NHCUHLMSSA-N 3 0 353.510 3.628 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405037 948348176 /nfs/dbraw/zinc/34/81/76/948348176.db2.gz GNGNXRCYINJQOV-HUUCEWRRSA-N 2 0 360.420 3.737 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2cnc3ccccc3n2)CC1 ZINC001167842357 948383840 /nfs/dbraw/zinc/38/38/40/948383840.db2.gz WOKWVTRACLMFDO-SFHVURJKSA-N 2 0 370.541 3.984 20 0 FHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422154 948385517 /nfs/dbraw/zinc/38/55/17/948385517.db2.gz SCPALUASJOSDFJ-UYAOXDASSA-N 2 0 350.572 3.894 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001167842854 948396087 /nfs/dbraw/zinc/39/60/87/948396087.db2.gz ZHLXYYRSHBNPGS-AWEZNQCLSA-N 2 0 368.363 3.900 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000473212610 948403450 /nfs/dbraw/zinc/40/34/50/948403450.db2.gz HSQHWSKFDMWLTP-AZUAARDMSA-N 2 0 351.579 3.656 20 0 FHADRP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000152374980 948438105 /nfs/dbraw/zinc/43/81/05/948438105.db2.gz UTMNUSLJTYVRIK-CYBMUJFWSA-N 2 0 358.313 3.596 20 0 FHADRP COc1cccc(CC[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168005096 948454394 /nfs/dbraw/zinc/45/43/94/948454394.db2.gz FSJWLFGFBDZRLQ-QZTJIDSGSA-N 2 0 353.510 3.664 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CCCO1 ZINC000432450124 948455164 /nfs/dbraw/zinc/45/51/64/948455164.db2.gz WHVIJQOHBAKGRJ-GCJKJVERSA-N 2 0 372.553 3.870 20 0 FHADRP Cn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000093080044 948523375 /nfs/dbraw/zinc/52/33/75/948523375.db2.gz AMTDSWBXSLSTFJ-UHFFFAOYSA-N 2 0 352.526 3.974 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417705785 948549099 /nfs/dbraw/zinc/54/90/99/948549099.db2.gz NYHBWLOHJXSLCR-BJLQDIEVSA-N 2 0 374.573 3.522 20 0 FHADRP Cc1noc(C)c1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536484969 948731294 /nfs/dbraw/zinc/73/12/94/948731294.db2.gz HGRPJIWAMLFYOA-UHFFFAOYSA-N 2 0 353.510 3.822 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C[C@H](C)O1 ZINC000512188281 948741525 /nfs/dbraw/zinc/74/15/25/948741525.db2.gz XUMMJPJCNIOCLB-KDURUIRLSA-N 2 0 372.553 3.797 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000067452851 948792012 /nfs/dbraw/zinc/79/20/12/948792012.db2.gz UGXJZZPHBBIXED-HUUCEWRRSA-N 2 0 360.420 3.564 20 0 FHADRP Fc1ccc(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(F)c1 ZINC000601775415 567837839 /nfs/dbraw/zinc/83/78/39/567837839.db2.gz NZJRTUAXTCOPIX-UHFFFAOYSA-N 2 0 360.448 3.772 20 0 FHADRP CC(C)[N@H+](C)CCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000221923493 567989826 /nfs/dbraw/zinc/98/98/26/567989826.db2.gz MDYQNDWSQRSRBQ-INIZCTEOSA-N 2 0 355.320 3.983 20 0 FHADRP Cc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CCC2)cc1 ZINC000186977988 568040918 /nfs/dbraw/zinc/04/09/18/568040918.db2.gz LCIMTTCNCNQUPC-HSZRJFAPSA-N 2 0 364.537 3.773 20 0 FHADRP [NH3+]CCC1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000070188481 568104797 /nfs/dbraw/zinc/10/47/97/568104797.db2.gz UDQHIBXPIJTPJD-UHFFFAOYSA-N 2 0 361.711 3.542 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000604011214 568198412 /nfs/dbraw/zinc/19/84/12/568198412.db2.gz GZOLBPQWIRPMAO-LJQANCHMSA-N 2 0 369.509 3.516 20 0 FHADRP CSC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563120087 568224879 /nfs/dbraw/zinc/22/48/79/568224879.db2.gz QXONMVQBMBTDLY-IBGZPJMESA-N 2 0 360.567 3.685 20 0 FHADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358214 568318779 /nfs/dbraw/zinc/31/87/79/568318779.db2.gz ZDFCIKDPOVEUAQ-KRWDZBQOSA-N 2 0 357.542 3.678 20 0 FHADRP Fc1ccc(C2([NH2+]Cc3cccc(CN4CCOCC4)c3)CCC2)cc1 ZINC000643251237 568320033 /nfs/dbraw/zinc/32/00/33/568320033.db2.gz QPZLCRGWGLNQCX-UHFFFAOYSA-N 2 0 354.469 3.827 20 0 FHADRP Cc1cc(-n2ccnc2)ccc1CN1CCC[C@H]1c1nncn1CC(C)C ZINC000365234547 568345129 /nfs/dbraw/zinc/34/51/29/568345129.db2.gz OIHFMBAKYHVJES-FQEVSTJZSA-N 2 0 364.497 3.765 20 0 FHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C(C)(C)C ZINC000604770796 568363043 /nfs/dbraw/zinc/36/30/43/568363043.db2.gz HIQOFTNLALDPMI-QGZVFWFLSA-N 2 0 354.922 3.957 20 0 FHADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268261 599319723 /nfs/dbraw/zinc/31/97/23/599319723.db2.gz RSNXEZLBQICJBR-KZNAEPCWSA-N 2 0 368.529 3.514 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821198348 599362626 /nfs/dbraw/zinc/36/26/26/599362626.db2.gz RYJJJOFIKKRURP-MRXNPFEDSA-N 2 0 364.497 3.559 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821197038 599362831 /nfs/dbraw/zinc/36/28/31/599362831.db2.gz FDJQYCSYMXWCRG-INIZCTEOSA-N 2 0 364.497 3.559 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820698328 607086847 /nfs/dbraw/zinc/08/68/47/607086847.db2.gz STYYCMOLWTZXMN-QINHECLXSA-N 2 0 368.529 3.560 20 0 FHADRP Cc1ccc(C[NH+]2CCC3(CCN(c4cccc(N)[nH+]4)CC3)CC2)cc1 ZINC001164759994 721043339 /nfs/dbraw/zinc/04/33/39/721043339.db2.gz SWSYNTQSJTUSLM-UHFFFAOYSA-N 2 0 350.510 3.855 20 0 FHADRP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091414117 936321410 /nfs/dbraw/zinc/32/14/10/936321410.db2.gz ZHLCRFWEINRCKI-YKCBXCCJSA-N 2 0 365.924 3.831 20 0 FHADRP [NH3+][C@@H](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000237888189 936328167 /nfs/dbraw/zinc/32/81/67/936328167.db2.gz STWBCABIGOOZJL-VQTJNVASSA-N 2 0 371.912 3.683 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579704438 927148819 /nfs/dbraw/zinc/14/88/19/927148819.db2.gz AZAGBFYHDPGEAE-FPOVZHCZSA-N 2 0 371.569 3.683 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)c2)CC1 ZINC000579706568 927149277 /nfs/dbraw/zinc/14/92/77/927149277.db2.gz NTLOJLNMJOVNFN-QFIPXVFZSA-N 2 0 365.521 3.642 20 0 FHADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000583135047 937157095 /nfs/dbraw/zinc/15/70/95/937157095.db2.gz JMIHWKQVNLEDME-ZWKOTPCHSA-N 2 0 358.448 3.899 20 0 FHADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000583138579 937159679 /nfs/dbraw/zinc/15/96/79/937159679.db2.gz APQIFQGOQPJDFQ-OAHLLOKOSA-N 2 0 371.447 3.602 20 0 FHADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000150775650 937161826 /nfs/dbraw/zinc/16/18/26/937161826.db2.gz UPHMHOOYLCBDLZ-AWEZNQCLSA-N 2 0 370.324 3.740 20 0 FHADRP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591497 927966134 /nfs/dbraw/zinc/96/61/34/927966134.db2.gz NHCGRHMKTYPHDM-LPHOPBHVSA-N 2 0 369.475 3.521 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000579818924 928020507 /nfs/dbraw/zinc/02/05/07/928020507.db2.gz DUFIYBVTFAVOJI-KRWDZBQOSA-N 2 0 353.510 3.968 20 0 FHADRP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)ccn1 ZINC000583218324 937246342 /nfs/dbraw/zinc/24/63/42/937246342.db2.gz UXQPPQOINOJHIK-GUDVDZBRSA-N 2 0 373.447 3.683 20 0 FHADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000124647730 937249568 /nfs/dbraw/zinc/24/95/68/937249568.db2.gz ZULMQASIXGMIMY-FHWLQOOXSA-N 2 0 370.541 3.924 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000583225800 937255571 /nfs/dbraw/zinc/25/55/71/937255571.db2.gz BZUBLMCDWHHSGA-UNMCSNQZSA-N 2 0 367.537 3.913 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccncc1 ZINC000647281505 937270413 /nfs/dbraw/zinc/27/04/13/937270413.db2.gz SKPDUOKVLAACPA-QFIPXVFZSA-N 2 0 353.510 3.791 20 0 FHADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000179425396 928748581 /nfs/dbraw/zinc/74/85/81/928748581.db2.gz LKLAIIQYNRUUSJ-OAQYLSRUSA-N 2 0 364.537 3.617 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000154467296 928845341 /nfs/dbraw/zinc/84/53/41/928845341.db2.gz MTDAIOYTPITXGE-LJQANCHMSA-N 2 0 365.949 3.561 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000533447275 928906073 /nfs/dbraw/zinc/90/60/73/928906073.db2.gz BENXUQJRKZGRLW-PKOBYXMFSA-N 2 0 353.510 3.973 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000154847353 929365456 /nfs/dbraw/zinc/36/54/56/929365456.db2.gz MAIYWNFSSACUNF-QGZVFWFLSA-N 2 0 374.550 3.781 20 0 FHADRP Cc1ccc(C)c([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180437699 929510556 /nfs/dbraw/zinc/51/05/56/929510556.db2.gz RKBBXIHTGNLHHK-GBXCKJPGSA-N 2 0 365.565 3.866 20 0 FHADRP COc1cccc(OCC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001167310738 929639322 /nfs/dbraw/zinc/63/93/22/929639322.db2.gz YMRGYDYEMRXKLA-UHFFFAOYSA-N 2 0 368.521 3.918 20 0 FHADRP Cc1cccn2cc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc12 ZINC000683690846 929807257 /nfs/dbraw/zinc/80/72/57/929807257.db2.gz QQEJZHUZOOYCDV-WBDAEOGXSA-N 2 0 374.532 3.970 20 0 FHADRP CCC[NH+]1CCC(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000122713806 929840292 /nfs/dbraw/zinc/84/02/92/929840292.db2.gz ZXMOXSYPSVCIGF-UHFFFAOYSA-N 2 0 361.549 3.544 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CC3 ZINC000123056924 929873710 /nfs/dbraw/zinc/87/37/10/929873710.db2.gz FKWHHPRWHPVEKE-SFHVURJKSA-N 2 0 363.505 3.885 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000162924271 937376134 /nfs/dbraw/zinc/37/61/34/937376134.db2.gz HJRFRNJPFWMBPK-CRICUBBOSA-N 2 0 356.535 3.871 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC3 ZINC000123403168 930005094 /nfs/dbraw/zinc/00/50/94/930005094.db2.gz UGJRKXBGWLNWIM-MRXNPFEDSA-N 2 0 355.526 3.886 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000583375506 937391946 /nfs/dbraw/zinc/39/19/46/937391946.db2.gz QVZSBHHEKDRYPX-ARFHVFGLSA-N 2 0 354.441 3.697 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000160354408 930196992 /nfs/dbraw/zinc/19/69/92/930196992.db2.gz ACWUADZIFAIWRK-KRWDZBQOSA-N 2 0 372.944 3.723 20 0 FHADRP c1cc2cc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)ccc2cn1 ZINC000683836973 930364248 /nfs/dbraw/zinc/36/42/48/930364248.db2.gz XEWFTTULBCPRDA-UHFFFAOYSA-N 2 0 353.510 3.559 20 0 FHADRP C[C@@H]1[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000580252519 930406228 /nfs/dbraw/zinc/40/62/28/930406228.db2.gz AMYGPRHJRHQMPJ-YYWHXJBOSA-N 2 0 353.510 3.694 20 0 FHADRP C[C@@H]1[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC000580252517 930406252 /nfs/dbraw/zinc/40/62/52/930406252.db2.gz AMYGPRHJRHQMPJ-IOMROCGXSA-N 2 0 353.510 3.694 20 0 FHADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000275811787 930420322 /nfs/dbraw/zinc/42/03/22/930420322.db2.gz FFIZKTWMBUTGNU-JOCHJYFZSA-N 2 0 367.541 3.715 20 0 FHADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580311646 930471427 /nfs/dbraw/zinc/47/14/27/930471427.db2.gz XMFDKMYLAPBZEY-GGAORHGYSA-N 2 0 366.505 3.862 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000583410510 937424528 /nfs/dbraw/zinc/42/45/28/937424528.db2.gz RANKRAODTAOAMG-BETUJISGSA-N 2 0 350.450 3.746 20 0 FHADRP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001167393470 930627621 /nfs/dbraw/zinc/62/76/21/930627621.db2.gz TXJHSXZUHCXIEK-APWZRJJASA-N 2 0 356.514 3.626 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000548091533 930632401 /nfs/dbraw/zinc/63/24/01/930632401.db2.gz BWSHWGNLBSBMKT-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000548120733 930941026 /nfs/dbraw/zinc/94/10/26/930941026.db2.gz CEJLGVAMZSKVGZ-SFHVURJKSA-N 2 0 359.558 3.846 20 0 FHADRP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000656262437 930943525 /nfs/dbraw/zinc/94/35/25/930943525.db2.gz VKBVBLYLOURZCC-FQEVSTJZSA-N 2 0 352.526 3.653 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000047978726 930975248 /nfs/dbraw/zinc/97/52/48/930975248.db2.gz MMPWGDCMKUVLDD-UHFFFAOYSA-N 2 0 351.922 3.722 20 0 FHADRP CC[NH+](CC)CC(C)(C)COC(=O)c1ccc(Nc2c[nH+]cn2C)cc1 ZINC001211251788 930979201 /nfs/dbraw/zinc/97/92/01/930979201.db2.gz PCUBXGFVTQNBAO-UHFFFAOYSA-N 2 0 358.486 3.689 20 0 FHADRP CC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[NH2+]CC1 ZINC000580702212 931029071 /nfs/dbraw/zinc/02/90/71/931029071.db2.gz TVADBEBHFZGZHH-UHFFFAOYSA-N 2 0 353.514 3.540 20 0 FHADRP CC1CC[NH+](CCCN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773830 931134382 /nfs/dbraw/zinc/13/43/82/931134382.db2.gz UFGUVNFSNSIGIW-QFIPXVFZSA-N 2 0 355.570 3.895 20 0 FHADRP c1ccc(OCCCCC[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000668440408 931274491 /nfs/dbraw/zinc/27/44/91/931274491.db2.gz LZVVGYQKOAGITD-UHFFFAOYSA-N 2 0 360.542 3.716 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000581011164 931466649 /nfs/dbraw/zinc/46/66/49/931466649.db2.gz DSEDUAQLTSYGOM-HXUWFJFHSA-N 2 0 351.494 3.579 20 0 FHADRP CC(C)C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000581136475 931611060 /nfs/dbraw/zinc/61/10/60/931611060.db2.gz WWCITVPGIXEPBE-NQIIRXRSSA-N 2 0 374.573 3.522 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000430547964 931773633 /nfs/dbraw/zinc/77/36/33/931773633.db2.gz LQZYZBMCUDZVEA-GFCCVEGCSA-N 2 0 358.313 3.642 20 0 FHADRP C[N@H+](Cc1cn(C[C@H]2CC[NH+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467925 931807994 /nfs/dbraw/zinc/80/79/94/931807994.db2.gz HCDDGHHPHUCLHZ-FQEVSTJZSA-N 2 0 367.541 3.565 20 0 FHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000430572168 931912039 /nfs/dbraw/zinc/91/20/39/931912039.db2.gz NLTPRGVVBVTUHK-INIZCTEOSA-N 2 0 350.304 3.803 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574048 931924494 /nfs/dbraw/zinc/92/44/94/931924494.db2.gz SDACETHMSDYEPL-ZWKOTPCHSA-N 2 0 367.493 3.867 20 0 FHADRP COC(=O)c1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000380363087 932183417 /nfs/dbraw/zinc/18/34/17/932183417.db2.gz JBMODINNJRWVQD-IBGZPJMESA-N 2 0 370.468 3.614 20 0 FHADRP [NH3+]C[C@H]1CCCN(Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000430608576 932211605 /nfs/dbraw/zinc/21/16/05/932211605.db2.gz DQQFZQFPGQEWIY-GFCCVEGCSA-N 2 0 366.328 3.743 20 0 FHADRP C[C@H](CC[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1)CC(C)(C)C ZINC001279507348 932310340 /nfs/dbraw/zinc/31/03/40/932310340.db2.gz WDLBNPRAAFEHIH-LJQANCHMSA-N 2 0 365.606 3.715 20 0 FHADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000656682404 932325758 /nfs/dbraw/zinc/32/57/58/932325758.db2.gz CWJPXOIDHFWXTM-OAQYLSRUSA-N 2 0 357.448 3.849 20 0 FHADRP Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000647168655 932334796 /nfs/dbraw/zinc/33/47/96/932334796.db2.gz FSOQHJVDXCAVEP-UHFFFAOYSA-N 2 0 364.493 3.874 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC000656782390 932411217 /nfs/dbraw/zinc/41/12/17/932411217.db2.gz FPJFTKNQBMMOGO-LJQANCHMSA-N 2 0 352.526 3.607 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782798 932411835 /nfs/dbraw/zinc/41/18/35/932411835.db2.gz JUASMPBHNMYOET-GOSISDBHSA-N 2 0 356.489 3.531 20 0 FHADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656786581 932421140 /nfs/dbraw/zinc/42/11/40/932421140.db2.gz UUHIQPKIBZVNPY-MRXNPFEDSA-N 2 0 354.441 3.508 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1Br ZINC000656786963 932425862 /nfs/dbraw/zinc/42/58/62/932425862.db2.gz YIJCZXNTPLLFNS-INIZCTEOSA-N 2 0 367.331 3.669 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684377359 932476116 /nfs/dbraw/zinc/47/61/16/932476116.db2.gz KZOHDIZXCAWLCJ-QXAKKESOSA-N 2 0 363.521 3.576 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1)CC(C)C ZINC000581683350 932486853 /nfs/dbraw/zinc/48/68/53/932486853.db2.gz OODNSIRTGFJNTJ-UHFFFAOYSA-N 2 0 357.546 3.548 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1COc2ccccc2C1 ZINC000581740561 932583377 /nfs/dbraw/zinc/58/33/77/932583377.db2.gz DFRZITCXJSNUQM-OPYAIIAOSA-N 2 0 350.506 3.736 20 0 FHADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000155962011 932643944 /nfs/dbraw/zinc/64/39/44/932643944.db2.gz YCGLPOZPVDSECX-OALUTQOASA-N 2 0 361.549 3.543 20 0 FHADRP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000581824793 932692072 /nfs/dbraw/zinc/69/20/72/932692072.db2.gz AHBCAMPWVPUZAK-FQEVSTJZSA-N 2 0 367.468 3.581 20 0 FHADRP CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000622354355 932732526 /nfs/dbraw/zinc/73/25/26/932732526.db2.gz PRCORCBSNFZNOY-IBGZPJMESA-N 2 0 363.590 3.799 20 0 FHADRP Cc1ccccc1NC(=O)CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471835799 933087785 /nfs/dbraw/zinc/08/77/85/933087785.db2.gz QKWHZQKRNFHUKH-IRLDBZIGSA-N 2 0 365.521 3.606 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000430913410 933409665 /nfs/dbraw/zinc/40/96/65/933409665.db2.gz UVSNOUUVDZCMTG-FGZHOGPDSA-N 2 0 371.569 3.655 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000510701343 933458484 /nfs/dbraw/zinc/45/84/84/933458484.db2.gz HNSUVANSSMKIKL-GQWLDOHISA-N 2 0 366.496 3.643 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000510705892 933475677 /nfs/dbraw/zinc/47/56/77/933475677.db2.gz TXCNBRSDBMASKZ-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000562986294 933603216 /nfs/dbraw/zinc/60/32/16/933603216.db2.gz AKQQYYGKARWYMU-MSOLQXFVSA-N 2 0 368.949 3.632 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994566 933697157 /nfs/dbraw/zinc/69/71/57/933697157.db2.gz CZKCVLOECHXGCO-IEBWSBKVSA-N 2 0 372.475 3.566 20 0 FHADRP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431032411 933708921 /nfs/dbraw/zinc/70/89/21/933708921.db2.gz CKJJBGBDSOEIQM-OEXQSEKGSA-N 2 0 369.553 3.591 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC000431067423 933759254 /nfs/dbraw/zinc/75/92/54/933759254.db2.gz WJTNJAUXCMGXKR-SFHVURJKSA-N 2 0 357.542 3.679 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837399 933834093 /nfs/dbraw/zinc/83/40/93/933834093.db2.gz LCBDVLCPYICHAP-MSOLQXFVSA-N 2 0 357.542 3.664 20 0 FHADRP CCC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C1CC[NH2+]CC1 ZINC000431107781 933844777 /nfs/dbraw/zinc/84/47/77/933844777.db2.gz RVSBRIDAUXPVRO-UHFFFAOYSA-N 2 0 360.477 3.581 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000510868280 933902627 /nfs/dbraw/zinc/90/26/27/933902627.db2.gz KPNZMXORPLEFAN-RTBURBONSA-N 2 0 371.569 3.769 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000132331656 934039527 /nfs/dbraw/zinc/03/95/27/934039527.db2.gz NTZDBSCMKGMYPM-YJBOKZPZSA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092567695 934089406 /nfs/dbraw/zinc/08/94/06/934089406.db2.gz SSUZVNFLVFOFPV-VIQWUECVSA-N 2 0 352.563 3.845 20 0 FHADRP CC(C)Cc1ncc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587606 934099487 /nfs/dbraw/zinc/09/94/87/934099487.db2.gz LTECFIRILHFQSF-IRXDYDNUSA-N 2 0 365.587 3.663 20 0 FHADRP COc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535681710 934273035 /nfs/dbraw/zinc/27/30/35/934273035.db2.gz TUDVBMPLOVSPMF-UHFFFAOYSA-N 2 0 351.494 3.578 20 0 FHADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000535819280 934452499 /nfs/dbraw/zinc/45/24/99/934452499.db2.gz GDNTYXIARGAHPA-NRFANRHFSA-N 2 0 355.526 3.670 20 0 FHADRP COC1(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC000277086740 934486328 /nfs/dbraw/zinc/48/63/28/934486328.db2.gz UTFIJOGRGXQBSD-UHFFFAOYSA-N 2 0 368.521 3.700 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000236629877 934755355 /nfs/dbraw/zinc/75/53/55/934755355.db2.gz JFNCQZWYBLTUFV-UXHICEINSA-N 2 0 371.569 3.561 20 0 FHADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)c2)CC1 ZINC000236638646 934756290 /nfs/dbraw/zinc/75/62/90/934756290.db2.gz WUDUHOVCCYEKKU-QFIPXVFZSA-N 2 0 365.521 3.625 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccccc1Cl ZINC000236875304 934909167 /nfs/dbraw/zinc/90/91/67/934909167.db2.gz SHPAKAAGMHKKGE-LJQANCHMSA-N 2 0 365.949 3.619 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657307382 935069559 /nfs/dbraw/zinc/06/95/59/935069559.db2.gz FKQPKLULDLHJIL-UHFFFAOYSA-N 2 0 354.420 3.569 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000472125362 935098311 /nfs/dbraw/zinc/09/83/11/935098311.db2.gz CDYQJVKHFMOBHU-MRXNPFEDSA-N 2 0 359.489 3.510 20 0 FHADRP COc1ccsc1[C@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000472128571 935109059 /nfs/dbraw/zinc/10/90/59/935109059.db2.gz QZEFWJYBOXJVBC-SFHVURJKSA-N 2 0 373.566 3.615 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657314228 935128860 /nfs/dbraw/zinc/12/88/60/935128860.db2.gz YMLOBJKSZTVTIU-XQBPLPMBSA-N 2 0 360.542 3.702 20 0 FHADRP C[N@H+](Cc1ccccc1C[NH2+]Cc1cnn2c1CCC2)C1CCCCC1 ZINC000657324541 935215236 /nfs/dbraw/zinc/21/52/36/935215236.db2.gz UPZIEFVURGMCMV-UHFFFAOYSA-N 2 0 352.526 3.884 20 0 FHADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC000439916735 945088815 /nfs/dbraw/zinc/08/88/15/945088815.db2.gz GEWHOZUEZRFNJJ-LJQANCHMSA-N 2 0 369.553 3.675 20 0 FHADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000684773067 935331212 /nfs/dbraw/zinc/33/12/12/935331212.db2.gz XNGKIZRHQVSZDK-SIKLNZKXSA-N 2 0 355.570 3.848 20 0 FHADRP Cc1ccc(OCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000466907486 935354885 /nfs/dbraw/zinc/35/48/85/935354885.db2.gz HHDUVMVCBDRRQA-UHFFFAOYSA-N 2 0 360.542 3.649 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000158165866 935380291 /nfs/dbraw/zinc/38/02/91/935380291.db2.gz SVHDDERSMLDOIG-GOSISDBHSA-N 2 0 359.514 3.806 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)o1 ZINC000684797879 935415228 /nfs/dbraw/zinc/41/52/28/935415228.db2.gz OMGLMAIVRVEJTL-SFHVURJKSA-N 2 0 361.530 3.648 20 0 FHADRP CC1(C)CC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000582339744 935541116 /nfs/dbraw/zinc/54/11/16/935541116.db2.gz WHIWRHKKPCFLCC-OAHLLOKOSA-N 2 0 358.448 3.508 20 0 FHADRP CCC[N@H+](CC(C)(C)C[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207288788 935584680 /nfs/dbraw/zinc/58/46/80/935584680.db2.gz VJWYSUWIEHITBW-UHFFFAOYSA-N 2 0 355.567 3.686 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000684837548 935592478 /nfs/dbraw/zinc/59/24/78/935592478.db2.gz KLVRCAAQCDTIPR-VGSWGCGISA-N 2 0 367.537 3.944 20 0 FHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158586175 935647345 /nfs/dbraw/zinc/64/73/45/935647345.db2.gz HTAVHUISYZPXCZ-ZBLHWPFVSA-N 2 0 350.572 3.833 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158586285 935647436 /nfs/dbraw/zinc/64/74/36/935647436.db2.gz HTAVHUISYZPXCZ-LZDTVADOSA-N 2 0 350.572 3.833 20 0 FHADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237046624 935659504 /nfs/dbraw/zinc/65/95/04/935659504.db2.gz GACSVWVEWNJVDB-UHFFFAOYSA-N 2 0 357.498 3.537 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)C(C)C ZINC000511124048 935694362 /nfs/dbraw/zinc/69/43/62/935694362.db2.gz JMFSVVVARVHEKW-UHFFFAOYSA-N 2 0 359.558 3.913 20 0 FHADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000560049650 935722574 /nfs/dbraw/zinc/72/25/74/935722574.db2.gz ZAYPLAFYRCKTSE-KRWDZBQOSA-N 2 0 357.929 3.733 20 0 FHADRP Cc1ncsc1-c1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000657437052 935738615 /nfs/dbraw/zinc/73/86/15/935738615.db2.gz OPPDYEGQAJXPJX-UHFFFAOYSA-N 2 0 372.582 3.624 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)C1CC[NH+](C)CC1 ZINC000125215461 935798378 /nfs/dbraw/zinc/79/83/78/935798378.db2.gz DEQMNPMVYSAATK-GOSISDBHSA-N 2 0 362.521 3.905 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000159136917 935801386 /nfs/dbraw/zinc/80/13/86/935801386.db2.gz CKKFURGDZJINCO-HZPDHXFCSA-N 2 0 361.555 3.879 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccsc2S1 ZINC000159151846 935802694 /nfs/dbraw/zinc/80/26/94/935802694.db2.gz ZSMMIRUNOZHDAY-WMLDXEAASA-N 2 0 374.579 3.610 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000159201305 935813125 /nfs/dbraw/zinc/81/31/25/935813125.db2.gz VSOKARRTYHCZKZ-OAHLLOKOSA-N 2 0 364.946 3.789 20 0 FHADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@]34C[NH2+]C[C@@H]3CCCC4)n2)c1 ZINC000563390319 935825057 /nfs/dbraw/zinc/82/50/57/935825057.db2.gz IWLYYVWKBFGJDF-SIKLNZKXSA-N 2 0 366.509 3.754 20 0 FHADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)cc1F ZINC000051793712 935881967 /nfs/dbraw/zinc/88/19/67/935881967.db2.gz KBPWDXGNISTWMB-FQEVSTJZSA-N 2 0 352.469 3.586 20 0 FHADRP Clc1ccc(CCN2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1Cl ZINC000582667040 935923892 /nfs/dbraw/zinc/92/38/92/935923892.db2.gz UPSPDMQTVDFKTE-UHFFFAOYSA-N 2 0 370.368 3.543 20 0 FHADRP c1sc(-c2ccccc2)nc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536090 935975148 /nfs/dbraw/zinc/97/51/48/935975148.db2.gz FNHCGNSSMWELRH-UHFFFAOYSA-N 2 0 371.550 3.791 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000075007481 936002717 /nfs/dbraw/zinc/00/27/17/936002717.db2.gz KKNUHRNCWMRJPK-UHFFFAOYSA-N 2 0 354.535 3.741 20 0 FHADRP COc1cccc([C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[NH+](C)C)c1 ZINC000133611117 936003699 /nfs/dbraw/zinc/00/36/99/936003699.db2.gz FKMJPHCPAOCXSE-JOCHJYFZSA-N 2 0 359.558 3.685 20 0 FHADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415007240 945140344 /nfs/dbraw/zinc/14/03/44/945140344.db2.gz RAZLPTYBSIPGTC-DJPFJPOOSA-N 2 0 358.505 3.517 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000077377414 936046258 /nfs/dbraw/zinc/04/62/58/936046258.db2.gz IUYGWEOGWCTZHN-OAHLLOKOSA-N 2 0 356.432 3.811 20 0 FHADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000077450143 936051475 /nfs/dbraw/zinc/05/14/75/936051475.db2.gz CDNFQTAIIKICIO-UHFFFAOYSA-N 2 0 350.915 3.615 20 0 FHADRP CCc1oc2ccccc2c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595306 936075361 /nfs/dbraw/zinc/07/53/61/936075361.db2.gz ONKPMEGPNWGPLQ-IBGZPJMESA-N 2 0 364.489 3.852 20 0 FHADRP Clc1cc2c(c(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)c1)OCC2 ZINC000657613702 936100670 /nfs/dbraw/zinc/10/06/70/936100670.db2.gz PLCBKGDTXZOSRJ-UHFFFAOYSA-N 2 0 371.912 3.672 20 0 FHADRP COCc1csc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000657659314 936179325 /nfs/dbraw/zinc/17/93/25/936179325.db2.gz FFMNOBYEUOKFRZ-UHFFFAOYSA-N 2 0 373.566 3.715 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237667629 936195686 /nfs/dbraw/zinc/19/56/86/936195686.db2.gz YZTNHPCQUKUZRB-MOPGFXCFSA-N 2 0 371.569 3.703 20 0 FHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1c[nH+]c2cccc(Br)n21 ZINC001167625487 936199594 /nfs/dbraw/zinc/19/95/94/936199594.db2.gz UTVXTTLXOLVOND-UHFFFAOYSA-N 2 0 351.292 3.582 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000611728400 936221743 /nfs/dbraw/zinc/22/17/43/936221743.db2.gz XHJJYWZLCBTXJQ-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000120934997 936273039 /nfs/dbraw/zinc/27/30/39/936273039.db2.gz PCTBTDFVLMCGHK-HUUCEWRRSA-N 2 0 371.447 3.744 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000657702635 936297812 /nfs/dbraw/zinc/29/78/12/936297812.db2.gz LYHPBKJRRFEJGD-RBUKOAKNSA-N 2 0 354.498 3.792 20 0 FHADRP CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000150999757 938259681 /nfs/dbraw/zinc/25/96/81/938259681.db2.gz LGKGKRSHGNOBHB-OAQYLSRUSA-N 2 0 359.558 3.698 20 0 FHADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000635007138 938280075 /nfs/dbraw/zinc/28/00/75/938280075.db2.gz FBWXUECGPPVKTD-UHOFOFEASA-N 2 0 362.823 3.606 20 0 FHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706743 938286642 /nfs/dbraw/zinc/28/66/42/938286642.db2.gz RRCCFQPOLNMRHN-NSHGMRRFSA-N 2 0 371.550 3.837 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708105 938288036 /nfs/dbraw/zinc/28/80/36/938288036.db2.gz TUEYMFQTDHAYLX-SZMVWBNQSA-N 2 0 356.432 3.732 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278297362 938290757 /nfs/dbraw/zinc/29/07/57/938290757.db2.gz CIOLDODHLJXUNG-UHFFFAOYSA-N 2 0 351.494 3.625 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718011 938304997 /nfs/dbraw/zinc/30/49/97/938304997.db2.gz URGZLGQPQGANFE-OAHLLOKOSA-N 2 0 357.473 3.915 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(C)c1OC(F)F ZINC000650721836 938310406 /nfs/dbraw/zinc/31/04/06/938310406.db2.gz CWPRIHSOKPDPCE-KZNAEPCWSA-N 2 0 368.468 3.766 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000650723620 938310754 /nfs/dbraw/zinc/31/07/54/938310754.db2.gz RAAHPAIAMIHRRC-DJIMGWMZSA-N 2 0 360.395 3.705 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773873 938319039 /nfs/dbraw/zinc/31/90/39/938319039.db2.gz VBHHXHQRUMHMIQ-HXUWFJFHSA-N 2 0 364.537 3.689 20 0 FHADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151089046 938341342 /nfs/dbraw/zinc/34/13/42/938341342.db2.gz ADWYRKPTZYJAIG-NFBKMPQASA-N 2 0 373.585 3.758 20 0 FHADRP FC(F)C(F)(F)COCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278370343 938355379 /nfs/dbraw/zinc/35/53/79/938355379.db2.gz DMNHQAVGPUWQMG-BJWYYQGGSA-N 2 0 374.422 3.689 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650752183 938395553 /nfs/dbraw/zinc/39/55/53/938395553.db2.gz LGCQAVBEKTUIRK-AWEZNQCLSA-N 2 0 358.461 3.665 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000650755421 938414505 /nfs/dbraw/zinc/41/45/05/938414505.db2.gz DUHWZFUZXNAEBX-QHCPKHFHSA-N 2 0 361.489 3.883 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000650758103 938426251 /nfs/dbraw/zinc/42/62/51/938426251.db2.gz JFJSDFAJUBPPQP-QGZVFWFLSA-N 2 0 364.493 3.569 20 0 FHADRP COc1cc(C)ccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151161462 938435549 /nfs/dbraw/zinc/43/55/49/938435549.db2.gz XDQYLLLOGDUASK-UHFFFAOYSA-N 2 0 367.537 3.824 20 0 FHADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000650763291 938448887 /nfs/dbraw/zinc/44/88/87/938448887.db2.gz XCSLWQIEMLGXDV-QFBILLFUSA-N 2 0 364.505 3.814 20 0 FHADRP CCCO[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158049905 938467872 /nfs/dbraw/zinc/46/78/72/938467872.db2.gz VQJJMXJQPSBUMB-OYRHEFFESA-N 2 0 354.579 3.939 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000583887959 938467956 /nfs/dbraw/zinc/46/79/56/938467956.db2.gz LGGCIYBGQODDCQ-UVDFWXMISA-N 2 0 351.897 3.520 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)c1cccc(Br)c1 ZINC000583899396 938473476 /nfs/dbraw/zinc/47/34/76/938473476.db2.gz NPJAJXBPZBYTSA-QGPMSJSTSA-N 2 0 351.332 3.969 20 0 FHADRP CC[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000583904036 938476393 /nfs/dbraw/zinc/47/63/93/938476393.db2.gz YEKWJICAMHEWLA-NRFANRHFSA-N 2 0 353.510 3.640 20 0 FHADRP CC[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000583904037 938476491 /nfs/dbraw/zinc/47/64/91/938476491.db2.gz YEKWJICAMHEWLA-OAQYLSRUSA-N 2 0 353.510 3.640 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000536158659 938478313 /nfs/dbraw/zinc/47/83/13/938478313.db2.gz PKOPIGNYCWQOTP-GHTZIAJQSA-N 2 0 362.533 3.875 20 0 FHADRP Fc1ccc(Br)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812442 938512297 /nfs/dbraw/zinc/51/22/97/938512297.db2.gz BZMVWBJCLQWDBL-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP CCn1ccnc1CN(Cc1ccc(C2CC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000584113191 938605746 /nfs/dbraw/zinc/60/57/46/938605746.db2.gz FOLFHYPFUZZWRB-NRFANRHFSA-N 2 0 364.537 3.925 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414965403 945189552 /nfs/dbraw/zinc/18/95/52/945189552.db2.gz FSCIVQPICRKXNE-SFHVURJKSA-N 2 0 360.933 3.823 20 0 FHADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657836479 938646417 /nfs/dbraw/zinc/64/64/17/938646417.db2.gz UTCUYCNIDMMGCD-DOTOQJQBSA-N 2 0 351.332 3.844 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000657837959 938681077 /nfs/dbraw/zinc/68/10/77/938681077.db2.gz LBFCAVBRLFHSFC-AUSIDOKSSA-N 2 0 374.569 3.840 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000657838902 938698769 /nfs/dbraw/zinc/69/87/69/938698769.db2.gz HGIDJZRCFKHCOU-SFHVURJKSA-N 2 0 358.448 3.729 20 0 FHADRP c1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000414964685 945197486 /nfs/dbraw/zinc/19/74/86/945197486.db2.gz DZXVQPLBNBHEQC-HXUWFJFHSA-N 2 0 361.493 3.556 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000151852110 938721143 /nfs/dbraw/zinc/72/11/43/938721143.db2.gz KPBGXOFGLZUSJX-KRWDZBQOSA-N 2 0 354.947 3.561 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000089127410 938853947 /nfs/dbraw/zinc/85/39/47/938853947.db2.gz WXXROSCXCKLXIK-UHFFFAOYSA-N 2 0 350.478 3.556 20 0 FHADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Sc1ccc(Br)cc1 ZINC000089582480 938866093 /nfs/dbraw/zinc/86/60/93/938866093.db2.gz JFEVYQXEYPTOHY-ZENOOKHLSA-N 2 0 357.361 3.860 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091283691 938899200 /nfs/dbraw/zinc/89/92/00/938899200.db2.gz ASMNTJHNCGVNGJ-IBGZPJMESA-N 2 0 369.475 3.772 20 0 FHADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000092739331 938919040 /nfs/dbraw/zinc/91/90/40/938919040.db2.gz RDLGOWXOGSMCDB-JKSUJKDBSA-N 2 0 353.576 3.946 20 0 FHADRP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000092739332 938919065 /nfs/dbraw/zinc/91/90/65/938919065.db2.gz RDLGOWXOGSMCDB-HOTGVXAUSA-N 2 0 353.576 3.946 20 0 FHADRP C[N@@H+](CCc1ccc2c(c1)CCO2)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821384 938921883 /nfs/dbraw/zinc/92/18/83/938921883.db2.gz ACUPGTVISPOWBG-UHFFFAOYSA-N 2 0 365.521 3.798 20 0 FHADRP CN1CCC[C@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768692 938965898 /nfs/dbraw/zinc/96/58/98/938965898.db2.gz OAPXTXLUWXINOR-WBVHZDCISA-N 2 0 356.432 3.714 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000431565476 938973953 /nfs/dbraw/zinc/97/39/53/938973953.db2.gz PSUXCAJSNARABH-YADHBBJMSA-N 2 0 365.521 3.633 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000431565475 938973982 /nfs/dbraw/zinc/97/39/82/938973982.db2.gz PSUXCAJSNARABH-VXKWHMMOSA-N 2 0 365.521 3.633 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457604 938987830 /nfs/dbraw/zinc/98/78/30/938987830.db2.gz GLHMVDALBYESBZ-IBGZPJMESA-N 2 0 369.475 3.614 20 0 FHADRP Cc1cc2cc(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)oc2cc1C ZINC000685458011 938987984 /nfs/dbraw/zinc/98/79/84/938987984.db2.gz XIIRRWOZZQKDTF-FQEVSTJZSA-N 2 0 355.526 3.650 20 0 FHADRP C[N@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000685458062 938988028 /nfs/dbraw/zinc/98/80/28/938988028.db2.gz ZPTTUPSVDZDXSO-VABKMULXSA-N 2 0 355.570 3.597 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000685464197 938988753 /nfs/dbraw/zinc/98/87/53/938988753.db2.gz DJWWQWHBGAHNII-FGZHOGPDSA-N 2 0 372.553 3.800 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572102 938992019 /nfs/dbraw/zinc/99/20/19/938992019.db2.gz CTKJLKDHBQNZQX-WMZOPIPTSA-N 2 0 368.912 3.845 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657899698 938993103 /nfs/dbraw/zinc/99/31/03/938993103.db2.gz WOVSSJOYDWUUQL-GOSISDBHSA-N 2 0 371.491 3.642 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000657907603 938996369 /nfs/dbraw/zinc/99/63/69/938996369.db2.gz PPUQWRVOLIHDSF-KNKQGSTJSA-N 2 0 374.569 3.564 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000431616251 939006383 /nfs/dbraw/zinc/00/63/83/939006383.db2.gz DYZBVRGKVBATJL-JOCHJYFZSA-N 2 0 367.537 3.838 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1O ZINC000685646316 939008090 /nfs/dbraw/zinc/00/80/90/939008090.db2.gz MTXCOXNCUOPFOI-MJGOQNOKSA-N 2 0 354.494 3.964 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000685646042 939008122 /nfs/dbraw/zinc/00/81/22/939008122.db2.gz XFNLTRVSIOBDPG-KRWDZBQOSA-N 2 0 354.494 3.964 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657930184 939009010 /nfs/dbraw/zinc/00/90/10/939009010.db2.gz BJXKRMULAPBJQI-PMOQBDJRSA-N 2 0 374.569 3.708 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653812 939009085 /nfs/dbraw/zinc/00/90/85/939009085.db2.gz XECVKWPPFOZJNP-DYESRHJHSA-N 2 0 361.489 3.652 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657969711 939013529 /nfs/dbraw/zinc/01/35/29/939013529.db2.gz UDZAHVXPPNAPBB-OXJNMPFZSA-N 2 0 365.477 3.635 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019639 939018960 /nfs/dbraw/zinc/01/89/60/939018960.db2.gz UAADBRZXUIOVBU-PKTZIBPZSA-N 2 0 374.569 3.710 20 0 FHADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000658069794 939021763 /nfs/dbraw/zinc/02/17/63/939021763.db2.gz IDTMPWAGOSPJBJ-YADHBBJMSA-N 2 0 372.553 3.713 20 0 FHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069647 939021778 /nfs/dbraw/zinc/02/17/78/939021778.db2.gz PXLPSYMRRPCYDF-OAHLLOKOSA-N 2 0 366.933 3.890 20 0 FHADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069028 939021855 /nfs/dbraw/zinc/02/18/55/939021855.db2.gz JQXLAPXHEHNJQL-JOCHJYFZSA-N 2 0 358.526 3.553 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc2ccncc2s1 ZINC000658070463 939021882 /nfs/dbraw/zinc/02/18/82/939021882.db2.gz PBJNAGCZKLTDNP-OAHLLOKOSA-N 2 0 359.539 3.838 20 0 FHADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071592 939021945 /nfs/dbraw/zinc/02/19/45/939021945.db2.gz XNTGGEDOHBEPGQ-OAQYLSRUSA-N 2 0 358.526 3.553 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135373 939030074 /nfs/dbraw/zinc/03/00/74/939030074.db2.gz DIKFASYRFPUZDZ-HNAYVOBHSA-N 2 0 356.535 3.654 20 0 FHADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CC2)cc1 ZINC000658134481 939030141 /nfs/dbraw/zinc/03/01/41/939030141.db2.gz AZYMLQARKQYJTG-DHIUTWEWSA-N 2 0 350.506 3.803 20 0 FHADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140202 939035067 /nfs/dbraw/zinc/03/50/67/939035067.db2.gz UHBZCJHLRFMARM-VXKWHMMOSA-N 2 0 350.506 3.647 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)[C@H](C)C2 ZINC000658139398 939043327 /nfs/dbraw/zinc/04/33/27/939043327.db2.gz QDZBBALSNIRTIS-ODOSVJCGSA-N 2 0 350.506 3.585 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)CCCC2 ZINC000658140713 939043479 /nfs/dbraw/zinc/04/34/79/939043479.db2.gz QUNFCNGLBRSEDE-UUOWRZLLSA-N 2 0 364.533 3.983 20 0 FHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000658166120 939054285 /nfs/dbraw/zinc/05/42/85/939054285.db2.gz MQLWXWJHYCIICH-QGZVFWFLSA-N 2 0 366.509 3.603 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000658166163 939054537 /nfs/dbraw/zinc/05/45/37/939054537.db2.gz MVXHNCFLJCKXIO-GOSISDBHSA-N 2 0 353.510 3.523 20 0 FHADRP CNC(=O)CC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCCCC1 ZINC000658303579 939095222 /nfs/dbraw/zinc/09/52/22/939095222.db2.gz BRTWIYNJVJZDTC-QUCCMNQESA-N 2 0 363.590 3.706 20 0 FHADRP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320432 939111631 /nfs/dbraw/zinc/11/16/31/939111631.db2.gz XUNGJNDJXBQMFS-PZJWPPBQSA-N 2 0 352.526 3.554 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000658353901 939124388 /nfs/dbraw/zinc/12/43/88/939124388.db2.gz TWTKBIGGYFJQMZ-KRWDZBQOSA-N 2 0 352.526 3.860 20 0 FHADRP COc1c(O)cccc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472372465 939173506 /nfs/dbraw/zinc/17/35/06/939173506.db2.gz XPHJXNIVPPSAFH-VQTJNVASSA-N 2 0 354.494 3.573 20 0 FHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(Cn4ccnc4)cn3)CC2)C1 ZINC000519231049 945236753 /nfs/dbraw/zinc/23/67/53/945236753.db2.gz ZDSMJOQLGLTMNO-YLJYHZDGSA-N 2 0 353.514 3.781 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507439588 945238344 /nfs/dbraw/zinc/23/83/44/945238344.db2.gz CZMFYFSXCUEGGC-OAHLLOKOSA-N 2 0 351.922 3.687 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414970259 945246217 /nfs/dbraw/zinc/24/62/17/945246217.db2.gz HKQZRHUCOPWERU-MSOLQXFVSA-N 2 0 370.459 3.947 20 0 FHADRP CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000518250474 945252828 /nfs/dbraw/zinc/25/28/28/945252828.db2.gz GVUPQYNCBLUGNA-FQEVSTJZSA-N 2 0 371.569 3.588 20 0 FHADRP COc1cc2c(c(C[NH2+]CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000518266173 945268922 /nfs/dbraw/zinc/26/89/22/945268922.db2.gz OLIORRCDEPWJCP-KZNAEPCWSA-N 2 0 360.542 3.866 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000511850525 945273830 /nfs/dbraw/zinc/27/38/30/945273830.db2.gz RJBSQJWLRUEFSD-GOSISDBHSA-N 2 0 357.542 3.523 20 0 FHADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000569831019 939996652 /nfs/dbraw/zinc/99/66/52/939996652.db2.gz LYQPBDALHWDDCV-UHFFFAOYSA-N 2 0 356.466 3.555 20 0 FHADRP COc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc2c1OCO2 ZINC000065976657 940134347 /nfs/dbraw/zinc/13/43/47/940134347.db2.gz KCOXOIRNWXLKPD-UHFFFAOYSA-N 2 0 356.466 3.554 20 0 FHADRP C[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799801 940183308 /nfs/dbraw/zinc/18/33/08/940183308.db2.gz RCGOTVVQQSCIJM-NRSFXHEJSA-N 2 0 356.432 3.739 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@@H](C)C1 ZINC000584499351 940269678 /nfs/dbraw/zinc/26/96/78/940269678.db2.gz HVXSQEKHZLGBKD-FKVLARQCSA-N 2 0 360.542 3.633 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@H]1[NH3+] ZINC000647497730 940376679 /nfs/dbraw/zinc/37/66/79/940376679.db2.gz SVIQGNVNKBFOPM-TZIWHRDSSA-N 2 0 353.510 3.837 20 0 FHADRP C[C@@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000472503085 940445547 /nfs/dbraw/zinc/44/55/47/940445547.db2.gz RVSDZFNBVAPBOF-AQNXPRMDSA-N 2 0 371.569 3.524 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000548988719 940445677 /nfs/dbraw/zinc/44/56/77/940445677.db2.gz DBDXTEANLUJXIQ-WOJBJXKFSA-N 2 0 373.585 3.902 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414053382 940457789 /nfs/dbraw/zinc/45/77/89/940457789.db2.gz ATOSSDMLNMURMR-TYPHKJRUSA-N 2 0 363.977 3.838 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749834 940467342 /nfs/dbraw/zinc/46/73/42/940467342.db2.gz FAJKPYGWXNBFJK-SFHLNBCPSA-N 2 0 363.590 3.658 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000685850984 940467670 /nfs/dbraw/zinc/46/76/70/940467670.db2.gz XUHWLZYZNGZOQQ-FCHUYYIVSA-N 2 0 370.537 3.695 20 0 FHADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1C[C@H]1C ZINC000414062289 940470272 /nfs/dbraw/zinc/47/02/72/940470272.db2.gz BKMDWHJUCWPXAM-YHYVQYDKSA-N 2 0 360.542 3.700 20 0 FHADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000414064849 940473272 /nfs/dbraw/zinc/47/32/72/940473272.db2.gz FFSHIHWRAHNICP-QFUCXCTJSA-N 2 0 363.977 3.839 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414068450 940477464 /nfs/dbraw/zinc/47/74/64/940477464.db2.gz BBGJFDNGHQOGSN-ICSRJNTNSA-N 2 0 350.934 3.660 20 0 FHADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc(C)n1 ZINC000660624230 945329812 /nfs/dbraw/zinc/32/98/12/945329812.db2.gz WYVXBAOIJRVPJI-UHFFFAOYSA-N 2 0 350.510 3.582 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414115336 940603471 /nfs/dbraw/zinc/60/34/71/940603471.db2.gz MVBVSEJWSFZXHY-ICSRJNTNSA-N 2 0 350.934 3.660 20 0 FHADRP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431801965 940606520 /nfs/dbraw/zinc/60/65/20/940606520.db2.gz QTLVGRAGJSEZTI-BAGYTPMASA-N 2 0 371.569 3.762 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000511493027 940637337 /nfs/dbraw/zinc/63/73/37/940637337.db2.gz LKNIGLCPUMPSTP-UHFFFAOYSA-N 2 0 353.510 3.824 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168361 940704154 /nfs/dbraw/zinc/70/41/54/940704154.db2.gz ACDZFIAOHMXSNY-GOEBONIOSA-N 2 0 361.921 3.612 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000651591731 945349446 /nfs/dbraw/zinc/34/94/46/945349446.db2.gz AHVOZKMPKQUEJE-LJQANCHMSA-N 2 0 362.539 3.538 20 0 FHADRP C[C@H](CCc1ccccc1F)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414305603 940927423 /nfs/dbraw/zinc/92/74/23/940927423.db2.gz NNBNHKWPZDXMMM-LJQANCHMSA-N 2 0 370.512 3.764 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414305037 940932246 /nfs/dbraw/zinc/93/22/46/940932246.db2.gz YEKMWFHIFLJTFR-NQIIRXRSSA-N 2 0 370.512 3.587 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000519367062 945361391 /nfs/dbraw/zinc/36/13/91/945361391.db2.gz MVVYITYMCXUKHT-OALUTQOASA-N 2 0 374.573 3.591 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582184 940949117 /nfs/dbraw/zinc/94/91/17/940949117.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 2 0 355.570 3.849 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029877 940949829 /nfs/dbraw/zinc/94/98/29/940949829.db2.gz IWKAOOVWHUWCJQ-WBMJQRKESA-N 2 0 350.304 3.580 20 0 FHADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662698 945366855 /nfs/dbraw/zinc/36/68/55/945366855.db2.gz LNOVMPIGDMQPAR-JOCHJYFZSA-N 2 0 354.542 3.933 20 0 FHADRP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414346927 941018399 /nfs/dbraw/zinc/01/83/99/941018399.db2.gz VVECLZYTFYMRFL-YADHBBJMSA-N 2 0 371.569 3.688 20 0 FHADRP CCc1ncc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000414348317 941022561 /nfs/dbraw/zinc/02/25/61/941022561.db2.gz OAOHSOAAUQPTLU-UHFFFAOYSA-N 2 0 366.553 3.864 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)ccn1 ZINC000647543060 941065181 /nfs/dbraw/zinc/06/51/81/941065181.db2.gz HAHDWKTYUAMTOL-YADHBBJMSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543821 941065806 /nfs/dbraw/zinc/06/58/06/941065806.db2.gz SNSRQPYJJBRIBM-LEWJYISDSA-N 2 0 365.521 3.969 20 0 FHADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889203 941067028 /nfs/dbraw/zinc/06/70/28/941067028.db2.gz VXGPHILURDWPKS-PZJWPPBQSA-N 2 0 363.590 3.754 20 0 FHADRP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889110 941067071 /nfs/dbraw/zinc/06/70/71/941067071.db2.gz KEMGTJNDGLEZIB-HXUWFJFHSA-N 2 0 371.569 3.794 20 0 FHADRP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889380 941067837 /nfs/dbraw/zinc/06/78/37/941067837.db2.gz PNQZZADJXJTPEG-VAMGGRTRSA-N 2 0 363.590 3.752 20 0 FHADRP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000647549106 941070746 /nfs/dbraw/zinc/07/07/46/941070746.db2.gz ITLSHNFJNAGFPN-SVFBPWRDSA-N 2 0 354.469 3.882 20 0 FHADRP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000647549104 941070771 /nfs/dbraw/zinc/07/07/71/941070771.db2.gz ITLSHNFJNAGFPN-QKNQBKEWSA-N 2 0 354.469 3.882 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCC2)c1 ZINC000647549214 941070889 /nfs/dbraw/zinc/07/08/89/941070889.db2.gz NYYGBKOBRKRHJK-RLFYNMQTSA-N 2 0 363.343 3.849 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCC2)c1 ZINC000647549213 941070891 /nfs/dbraw/zinc/07/08/91/941070891.db2.gz NYYGBKOBRKRHJK-IIDMSEBBSA-N 2 0 363.343 3.849 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423392445 941095612 /nfs/dbraw/zinc/09/56/12/941095612.db2.gz QEKAOGIIXAHYII-IKGGRYGDSA-N 2 0 355.320 3.776 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000423501048 941124005 /nfs/dbraw/zinc/12/40/05/941124005.db2.gz AVALMYVFUQUZAI-CZVCLPBNSA-N 2 0 361.496 3.550 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000163590043 941141516 /nfs/dbraw/zinc/14/15/16/941141516.db2.gz UWMQXQBICAATQH-OSPHWJPCSA-N 2 0 350.572 3.833 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc1)C(C)C ZINC000177798035 941150551 /nfs/dbraw/zinc/15/05/51/941150551.db2.gz WRKSOKKFHBWFRR-RTWAWAEBSA-N 2 0 357.542 3.616 20 0 FHADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000311319787 941229234 /nfs/dbraw/zinc/22/92/34/941229234.db2.gz JLCYHFNUPACRMI-RBUKOAKNSA-N 2 0 367.578 3.922 20 0 FHADRP FC(F)(F)CN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000178634607 941291460 /nfs/dbraw/zinc/29/14/60/941291460.db2.gz LRVWIYKLDOCRSV-UHFFFAOYSA-N 2 0 369.475 3.515 20 0 FHADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000311479449 941306015 /nfs/dbraw/zinc/30/60/15/941306015.db2.gz HHVPXWOZGGJFLS-LAUBAEHRSA-N 2 0 360.448 3.500 20 0 FHADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2o1 ZINC000179174000 941338716 /nfs/dbraw/zinc/33/87/16/941338716.db2.gz PCAANPBJNUZKBZ-VQIMIIECSA-N 2 0 368.477 3.668 20 0 FHADRP CC(C)C[C@@H]([NH3+])c1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000414611976 941398336 /nfs/dbraw/zinc/39/83/36/941398336.db2.gz CLURPRHGMIGOOU-DBXWQHBBSA-N 2 0 354.498 3.669 20 0 FHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000376901028 941459554 /nfs/dbraw/zinc/45/95/54/941459554.db2.gz CCYAVDFNQFGKOU-OALUTQOASA-N 2 0 370.459 3.907 20 0 FHADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC000376983342 941482830 /nfs/dbraw/zinc/48/28/30/941482830.db2.gz SHTCPHFJNXEFCO-QGZVFWFLSA-N 2 0 369.509 3.623 20 0 FHADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414857410 941487930 /nfs/dbraw/zinc/48/79/30/941487930.db2.gz PKOLQRPFEKVDJL-LPHOPBHVSA-N 2 0 372.484 3.891 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000415016926 941543198 /nfs/dbraw/zinc/54/31/98/941543198.db2.gz QTCZJIXLPOCTIF-SNVBAGLBSA-N 2 0 364.125 3.819 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415019760 941545120 /nfs/dbraw/zinc/54/51/20/941545120.db2.gz ISAJWZAVAKHBGS-LLVKDONJSA-N 2 0 354.317 3.790 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(I)cc1Cl ZINC000415022478 941545936 /nfs/dbraw/zinc/54/59/36/941545936.db2.gz ZREWXLOFANKOHB-SNVBAGLBSA-N 2 0 366.674 3.552 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000415024370 941547439 /nfs/dbraw/zinc/54/74/39/941547439.db2.gz OVZDOYUUJINKBH-LLVKDONJSA-N 2 0 354.317 3.790 20 0 FHADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OCc1cccnc1 ZINC000415024633 941548771 /nfs/dbraw/zinc/54/87/71/941548771.db2.gz NUOGVUNQOJGJON-IYARVYRRSA-N 2 0 369.509 3.524 20 0 FHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000415026639 941549863 /nfs/dbraw/zinc/54/98/63/941549863.db2.gz UEYISFTUYGSHCF-SHTZXODSSA-N 2 0 366.431 3.746 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000415032643 941556159 /nfs/dbraw/zinc/55/61/59/941556159.db2.gz IBJGXNQMPXGKDH-DENIHFKCSA-N 2 0 360.505 3.815 20 0 FHADRP CCOc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039687 941560138 /nfs/dbraw/zinc/56/01/38/941560138.db2.gz JMCBGBSTBZSULC-NVXWUHKLSA-N 2 0 352.906 3.711 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000415041002 941560395 /nfs/dbraw/zinc/56/03/95/941560395.db2.gz PIEFNBCNHWBRNE-ONGXEEELSA-N 2 0 367.209 3.565 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000468560218 941561878 /nfs/dbraw/zinc/56/18/78/941561878.db2.gz MQKZGPMFWDWQCU-RBUKOAKNSA-N 2 0 350.934 3.801 20 0 FHADRP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047567 941564967 /nfs/dbraw/zinc/56/49/67/941564967.db2.gz DXXWYCAVBKISHA-QIBIFGARSA-N 2 0 361.961 3.782 20 0 FHADRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1OC(F)F ZINC000415047654 941565054 /nfs/dbraw/zinc/56/50/54/941565054.db2.gz FIIVPZZOZIBSNR-INIZCTEOSA-N 2 0 350.409 3.866 20 0 FHADRP c1cncc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415052216 941567518 /nfs/dbraw/zinc/56/75/18/941567518.db2.gz MUPONOOSRBZBIS-IRLDBZIGSA-N 2 0 351.494 3.625 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415060224 941571750 /nfs/dbraw/zinc/57/17/50/941571750.db2.gz YMWIQZSWZFUEFK-SIKLNZKXSA-N 2 0 351.494 3.625 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH2+]C2CC2)o1 ZINC000415072945 941589217 /nfs/dbraw/zinc/58/92/17/941589217.db2.gz XOGUBNMGBMUYNP-UHFFFAOYSA-N 2 0 350.466 3.672 20 0 FHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000415074260 941589630 /nfs/dbraw/zinc/58/96/30/941589630.db2.gz CDMDJNRGGSWQAH-YLJYHZDGSA-N 2 0 361.493 3.555 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415085252 941590464 /nfs/dbraw/zinc/59/04/64/941590464.db2.gz PSJUPRIFEIRVSD-BZUAXINKSA-N 2 0 372.431 3.647 20 0 FHADRP C[C@H]1C[C@H](C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]1 ZINC000415082656 941593550 /nfs/dbraw/zinc/59/35/50/941593550.db2.gz DMQSJMDZHJWCBY-JKSUJKDBSA-N 2 0 370.459 3.731 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415097786 941602734 /nfs/dbraw/zinc/60/27/34/941602734.db2.gz DMCKGRLWXVOSLF-LPHOPBHVSA-N 2 0 365.512 3.830 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415106718 941609371 /nfs/dbraw/zinc/60/93/71/941609371.db2.gz JUCKNXQOJBWQMC-ICSRJNTNSA-N 2 0 359.901 3.607 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000415108856 941610224 /nfs/dbraw/zinc/61/02/24/941610224.db2.gz PHNBUYWMMDOGHW-HZPDHXFCSA-N 2 0 369.475 3.648 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415119576 941614669 /nfs/dbraw/zinc/61/46/69/941614669.db2.gz FRRMDMQTQOLWBM-QZTJIDSGSA-N 2 0 356.432 3.732 20 0 FHADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415126031 941615522 /nfs/dbraw/zinc/61/55/22/941615522.db2.gz LWMRNFRGCQOBKX-LAUBAEHRSA-N 2 0 369.557 3.550 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415127411 941616023 /nfs/dbraw/zinc/61/60/23/941616023.db2.gz MXRBMQOPPDENNR-IFMALSPDSA-N 2 0 354.494 3.567 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000415122368 941617700 /nfs/dbraw/zinc/61/77/00/941617700.db2.gz IFIFRKOHKXTEAF-IFMALSPDSA-N 2 0 358.526 3.726 20 0 FHADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415123952 941619635 /nfs/dbraw/zinc/61/96/35/941619635.db2.gz BONZEWJMRUGOKC-QFIPXVFZSA-N 2 0 351.538 3.591 20 0 FHADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000415123861 941619971 /nfs/dbraw/zinc/61/99/71/941619971.db2.gz JUZWNFVQGZGMGI-TZMCWYRMSA-N 2 0 352.404 3.512 20 0 FHADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415123856 941620034 /nfs/dbraw/zinc/62/00/34/941620034.db2.gz JUZWNFVQGZGMGI-JSGCOSHPSA-N 2 0 352.404 3.512 20 0 FHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137837 941626429 /nfs/dbraw/zinc/62/64/29/941626429.db2.gz UGGBXIYKAQWYBS-LJQANCHMSA-N 2 0 369.528 3.730 20 0 FHADRP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231109 941788404 /nfs/dbraw/zinc/78/84/04/941788404.db2.gz BTSXYFXVKUEYKU-PZJWPPBQSA-N 2 0 373.585 3.519 20 0 FHADRP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377650791 941866129 /nfs/dbraw/zinc/86/61/29/941866129.db2.gz NXWICUNLIZZNDM-JOCHJYFZSA-N 2 0 358.526 3.648 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462787842 941895212 /nfs/dbraw/zinc/89/52/12/941895212.db2.gz DTRQQKQVCNHCKU-UHFFFAOYSA-N 2 0 367.331 3.548 20 0 FHADRP Cn1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c(-c2ccccc2)n1 ZINC000377697847 941908413 /nfs/dbraw/zinc/90/84/13/941908413.db2.gz JLUITLSIPFXUMH-UHFFFAOYSA-N 2 0 361.493 3.583 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000513464925 941942189 /nfs/dbraw/zinc/94/21/89/941942189.db2.gz GPFMJGIFAWWQHR-IBGZPJMESA-N 2 0 367.537 3.779 20 0 FHADRP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377759604 941966494 /nfs/dbraw/zinc/96/64/94/941966494.db2.gz HLWOLCYACFTVAY-IFMALSPDSA-N 2 0 373.500 3.894 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([S@@](C)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513512674 941983743 /nfs/dbraw/zinc/98/37/43/941983743.db2.gz PHWXXSDHRPVNGO-KAWPREARSA-N 2 0 370.562 3.814 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513544195 942004625 /nfs/dbraw/zinc/00/46/25/942004625.db2.gz FFWJLPLTITZWNN-QUCCMNQESA-N 2 0 366.505 3.848 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2nc3ccccc3n2C)C[N@@H+]1Cc1ccccc1 ZINC000513543932 942004789 /nfs/dbraw/zinc/00/47/89/942004789.db2.gz BCIIBOSDGFFBEP-ICSRJNTNSA-N 2 0 362.521 3.964 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1)CC(C)C ZINC000462903471 942016757 /nfs/dbraw/zinc/01/67/57/942016757.db2.gz SHGGOFPAYUJCBW-UHFFFAOYSA-N 2 0 356.505 3.938 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C12CCC2 ZINC000925509147 942095448 /nfs/dbraw/zinc/09/54/48/942095448.db2.gz VGVCNAMESVYQKF-IAGOWNOFSA-N 2 0 368.443 3.613 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000415895854 942123223 /nfs/dbraw/zinc/12/32/23/942123223.db2.gz CBOYDTNNETYOAN-LJQANCHMSA-N 2 0 372.538 3.552 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000415913823 942136905 /nfs/dbraw/zinc/13/69/05/942136905.db2.gz RRYCNQPDGCZHNC-SFHVURJKSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000415916887 942141729 /nfs/dbraw/zinc/14/17/29/942141729.db2.gz IENYJQSOCKCRRP-QGZVFWFLSA-N 2 0 366.509 3.753 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415912479 942146299 /nfs/dbraw/zinc/14/62/99/942146299.db2.gz LLMQBWWZSKLUCC-XLIONFOSSA-N 2 0 366.509 3.581 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)C2(c3ccccc3)CCCC2)CC1 ZINC000501980467 942149558 /nfs/dbraw/zinc/14/95/58/942149558.db2.gz RXQWSMOMONPREA-OAQYLSRUSA-N 2 0 357.586 3.893 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000415924389 942152578 /nfs/dbraw/zinc/15/25/78/942152578.db2.gz WKLDZMMIIFDDRJ-JXFKEZNVSA-N 2 0 354.498 3.609 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000415923500 942153341 /nfs/dbraw/zinc/15/33/41/942153341.db2.gz VGTULYMVULCRFE-UZLBHIALSA-N 2 0 354.498 3.609 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000415925928 942154895 /nfs/dbraw/zinc/15/48/95/942154895.db2.gz BQMPHFLZONPZFA-UHFFFAOYSA-N 2 0 354.498 3.568 20 0 FHADRP C[C@@H]1C[C@H](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994300 942159143 /nfs/dbraw/zinc/15/91/43/942159143.db2.gz MPVXPSSHTRENKV-BAGYTPMASA-N 2 0 371.569 3.668 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415954035 942195564 /nfs/dbraw/zinc/19/55/64/942195564.db2.gz LVTBRJPUKJQTNX-PXNSSMCTSA-N 2 0 366.509 3.581 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000415968028 942212626 /nfs/dbraw/zinc/21/26/26/942212626.db2.gz BXJRRPZQFQYSMQ-QGZVFWFLSA-N 2 0 366.509 3.753 20 0 FHADRP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415975698 942219070 /nfs/dbraw/zinc/21/90/70/942219070.db2.gz MUFWVGHEGVIPLM-DYESRHJHSA-N 2 0 366.509 3.835 20 0 FHADRP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415975702 942219083 /nfs/dbraw/zinc/21/90/83/942219083.db2.gz MUFWVGHEGVIPLM-UWJYYQICSA-N 2 0 366.509 3.835 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415980247 942223205 /nfs/dbraw/zinc/22/32/05/942223205.db2.gz SEMDUJSYEHCONA-KRWDZBQOSA-N 2 0 366.509 3.699 20 0 FHADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040453 942270613 /nfs/dbraw/zinc/27/06/13/942270613.db2.gz ZYIGKXDYMWCMLH-GRGSLBFTSA-N 2 0 370.459 3.992 20 0 FHADRP C[N@H+](CCOc1cccc(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049863 942275487 /nfs/dbraw/zinc/27/54/87/942275487.db2.gz UYFMXOCXFLKTDR-UHFFFAOYSA-N 2 0 359.901 3.962 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000431856877 942285232 /nfs/dbraw/zinc/28/52/32/942285232.db2.gz KAWKBOOQJSMNJR-CTNGQTDRSA-N 2 0 363.590 3.754 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000420977101 942287851 /nfs/dbraw/zinc/28/78/51/942287851.db2.gz HSEVUIFTRSPCMT-UHFFFAOYSA-N 2 0 357.567 3.893 20 0 FHADRP CCOc1ccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000501100862 942307559 /nfs/dbraw/zinc/30/75/59/942307559.db2.gz KVXCKOYRFAHIBO-UHFFFAOYSA-N 2 0 361.574 3.712 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000584559529 942335361 /nfs/dbraw/zinc/33/53/61/942335361.db2.gz VCWDWAWRENFEFD-CWBXHPNXSA-N 2 0 355.570 3.751 20 0 FHADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000378159094 942336103 /nfs/dbraw/zinc/33/61/03/942336103.db2.gz CJLFSICLUZYJMT-LFDQFFAPSA-N 2 0 372.553 3.633 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H](c2ccccc2)C1 ZINC000419678096 942347129 /nfs/dbraw/zinc/34/71/29/942347129.db2.gz PALQKHUGFBAHHE-WNCSLHQUSA-N 2 0 356.554 3.926 20 0 FHADRP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)c2)c1 ZINC000502323219 942353707 /nfs/dbraw/zinc/35/37/07/942353707.db2.gz VCONZJXOXLYPLL-IBGZPJMESA-N 2 0 361.493 3.785 20 0 FHADRP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042654 942388937 /nfs/dbraw/zinc/38/89/37/942388937.db2.gz XDDCTPMELMMYIN-SIKLNZKXSA-N 2 0 356.485 3.751 20 0 FHADRP [NH3+]CCCCCCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378203386 942393236 /nfs/dbraw/zinc/39/32/36/942393236.db2.gz QDNGSWAFAISLPS-RTWAWAEBSA-N 2 0 357.542 3.551 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccnn2C)c1 ZINC000549401560 942415664 /nfs/dbraw/zinc/41/56/64/942415664.db2.gz MPQZDQNWTPNUPW-FQEVSTJZSA-N 2 0 352.526 3.846 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501358979 942432356 /nfs/dbraw/zinc/43/23/56/942432356.db2.gz BVYNVLISQTYFBS-FSSWDIPSSA-N 2 0 371.569 3.666 20 0 FHADRP CCCC[NH+](CCCC)CCNc1nc(C2CC[NH2+]CC2)cc2nc[nH]c21 ZINC001167731920 942436862 /nfs/dbraw/zinc/43/68/62/942436862.db2.gz DDKKUKNQFCJSCB-UHFFFAOYSA-N 2 0 372.561 3.739 20 0 FHADRP CCCC[NH+](CCCC)CCNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001167732102 942448397 /nfs/dbraw/zinc/44/83/97/942448397.db2.gz MRCHNKKMQJEKLE-UHFFFAOYSA-N 2 0 361.559 3.651 20 0 FHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000180920823 942451700 /nfs/dbraw/zinc/45/17/00/942451700.db2.gz HEDKNFUUWOLTQP-GJZGRUSLSA-N 2 0 358.498 3.980 20 0 FHADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513714030 942461465 /nfs/dbraw/zinc/46/14/65/942461465.db2.gz XBVDWLHZPIQLRU-XKCSPQBFSA-N 2 0 366.553 3.763 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000501419153 942466286 /nfs/dbraw/zinc/46/62/86/942466286.db2.gz GMEWDAVEGHJMDJ-FPOVZHCZSA-N 2 0 353.510 3.838 20 0 FHADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414831627 942499675 /nfs/dbraw/zinc/49/96/75/942499675.db2.gz DGEASDYJMKEZOZ-QGZVFWFLSA-N 2 0 354.494 3.850 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000502529826 942504094 /nfs/dbraw/zinc/50/40/94/942504094.db2.gz WIEGUZUDXLOHPM-NRFANRHFSA-N 2 0 373.585 3.962 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000421363605 942515388 /nfs/dbraw/zinc/51/53/88/942515388.db2.gz QGIFDCPHJHNBCU-DOTOQJQBSA-N 2 0 370.497 3.518 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4nc(C)ccc4c3)CC2)CC1 ZINC000421366678 942517307 /nfs/dbraw/zinc/51/73/07/942517307.db2.gz DCMFDEZNHZWLEU-UHFFFAOYSA-N 2 0 366.553 3.535 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000421379207 942529001 /nfs/dbraw/zinc/52/90/01/942529001.db2.gz WQTIENZAUTWUET-UHFFFAOYSA-N 2 0 368.312 3.537 20 0 FHADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414838853 942546543 /nfs/dbraw/zinc/54/65/43/942546543.db2.gz LRUWNNSIEXNCMS-INIZCTEOSA-N 2 0 360.523 3.815 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000420295397 942598431 /nfs/dbraw/zinc/59/84/31/942598431.db2.gz AGBJUESCZYVKPJ-FQEVSTJZSA-N 2 0 354.494 3.529 20 0 FHADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414522317 942604849 /nfs/dbraw/zinc/60/48/49/942604849.db2.gz GQKWLRTUIWZJJG-RBUKOAKNSA-N 2 0 362.583 3.523 20 0 FHADRP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299282 942609691 /nfs/dbraw/zinc/60/96/91/942609691.db2.gz IQDRXFVJICJMRT-CJNGLKHVSA-N 2 0 353.304 3.594 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302353 942610905 /nfs/dbraw/zinc/61/09/05/942610905.db2.gz JSNZCQMQGUPUPP-ICSRJNTNSA-N 2 0 370.493 3.592 20 0 FHADRP Cc1ccc(C)c(OCCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420312105 942616110 /nfs/dbraw/zinc/61/61/10/942616110.db2.gz OHVACESFOXZVGZ-NRFANRHFSA-N 2 0 353.510 3.722 20 0 FHADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000420311029 942616198 /nfs/dbraw/zinc/61/61/98/942616198.db2.gz VSIQOCDVIHLLMN-DOMZBBRYSA-N 2 0 355.345 3.917 20 0 FHADRP Cc1ccc(-c2noc(CCC[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1F ZINC000420346608 942626737 /nfs/dbraw/zinc/62/67/37/942626737.db2.gz YXLGMZMQIVPHIE-IBGZPJMESA-N 2 0 372.488 3.581 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000420384034 942648866 /nfs/dbraw/zinc/64/88/66/942648866.db2.gz RCQPNXHNYKFSON-GOTSBHOMSA-N 2 0 352.522 3.991 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000420388156 942651016 /nfs/dbraw/zinc/65/10/16/942651016.db2.gz WWZKNZSPRAFQCX-IRLDBZIGSA-N 2 0 358.526 3.533 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000420388157 942651280 /nfs/dbraw/zinc/65/12/80/942651280.db2.gz WWZKNZSPRAFQCX-RBBKRZOGSA-N 2 0 358.526 3.533 20 0 FHADRP CC(C)(C)c1ccc(OCCC[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420391116 942652102 /nfs/dbraw/zinc/65/21/02/942652102.db2.gz OBQQHSHLUIMSGW-UNMCSNQZSA-N 2 0 374.569 3.971 20 0 FHADRP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406027 942663379 /nfs/dbraw/zinc/66/33/79/942663379.db2.gz NIBKMQDWNKNVFW-MBOZVWFJSA-N 2 0 351.494 3.917 20 0 FHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cnn(C2CCCC2)c1 ZINC000502711807 942676558 /nfs/dbraw/zinc/67/65/58/942676558.db2.gz LUZDQMUPCPTOAO-SFHVURJKSA-N 2 0 370.541 3.832 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000501821564 942689100 /nfs/dbraw/zinc/68/91/00/942689100.db2.gz NILSZVUJKGIZBI-UHFFFAOYSA-N 2 0 354.485 3.578 20 0 FHADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414846632 942713328 /nfs/dbraw/zinc/71/33/28/942713328.db2.gz UQNITJOMBKIOMN-GOSISDBHSA-N 2 0 354.494 3.754 20 0 FHADRP CC(C)[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000502747022 942714573 /nfs/dbraw/zinc/71/45/73/942714573.db2.gz CBKRVDKVBZGWFU-UYAOXDASSA-N 2 0 374.573 3.535 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@@H+]1Cc1ccccc1 ZINC000893227561 942726381 /nfs/dbraw/zinc/72/63/81/942726381.db2.gz ZRPQBTSETKSHBC-NVXWUHKLSA-N 2 0 356.539 3.806 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@@H+]1Cc1ccccc1 ZINC000893227558 942726721 /nfs/dbraw/zinc/72/67/21/942726721.db2.gz ZRPQBTSETKSHBC-DOTOQJQBSA-N 2 0 356.539 3.806 20 0 FHADRP CN(CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)CC(F)(F)F ZINC000514086969 942737205 /nfs/dbraw/zinc/73/72/05/942737205.db2.gz DWULZQYRPGEROY-UHFFFAOYSA-N 2 0 371.491 3.903 20 0 FHADRP CC(C)CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccoc1 ZINC000514086368 942737624 /nfs/dbraw/zinc/73/76/24/942737624.db2.gz ACVOIAQRYLJSHQ-HXUWFJFHSA-N 2 0 356.514 3.694 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000514090000 942740789 /nfs/dbraw/zinc/74/07/89/942740789.db2.gz SGLQULBSAJBQEG-QHAWAJNXSA-N 2 0 351.494 3.623 20 0 FHADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000514104220 942748527 /nfs/dbraw/zinc/74/85/27/942748527.db2.gz HWEIZXAELLWZAV-SFHVURJKSA-N 2 0 373.463 3.652 20 0 FHADRP COc1ccc([C@H](C)C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000378457467 942790898 /nfs/dbraw/zinc/79/08/98/942790898.db2.gz VSYOQRNOMHZDCM-LJQANCHMSA-N 2 0 373.585 3.585 20 0 FHADRP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@@H]2CCCO2)cc1)C[C@@H]1CCCO1 ZINC000514198616 942808691 /nfs/dbraw/zinc/80/86/91/942808691.db2.gz DUIDPJBUFSXPHO-VXKWHMMOSA-N 2 0 360.542 3.688 20 0 FHADRP Cc1nccn1CCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868773 942814910 /nfs/dbraw/zinc/81/49/10/942814910.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 2 0 366.553 3.960 20 0 FHADRP COC1([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000421838200 942840138 /nfs/dbraw/zinc/84/01/38/942840138.db2.gz UWSBWTARXFTNNH-FQEVSTJZSA-N 2 0 374.569 3.995 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(I)cc1 ZINC000421883710 942864281 /nfs/dbraw/zinc/86/42/81/942864281.db2.gz TZFUSNRYLGRQSC-UWTIGNOOSA-N 2 0 372.294 3.815 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000421884109 942864378 /nfs/dbraw/zinc/86/43/78/942864378.db2.gz UAWIPUQSGXKJFO-GPVXHPMSSA-N 3 0 355.570 3.892 20 0 FHADRP COC1([C@@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421871212 942869556 /nfs/dbraw/zinc/86/95/56/942869556.db2.gz TVNJBTHQLHECTA-KMFTYDHNSA-N 2 0 360.542 3.603 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F)C1CC[NH+](C)CC1 ZINC000430092978 942906198 /nfs/dbraw/zinc/90/61/98/942906198.db2.gz DIXLVAMWFOSYPJ-UXHICEINSA-N 2 0 363.496 3.694 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000273245717 942916851 /nfs/dbraw/zinc/91/68/51/942916851.db2.gz ZMNMTWZDJDUJBY-QGZVFWFLSA-N 2 0 370.493 3.541 20 0 FHADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000503051169 942926838 /nfs/dbraw/zinc/92/68/38/942926838.db2.gz HMCWOUFNTKUNLK-LJQANCHMSA-N 2 0 361.533 3.858 20 0 FHADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115954 942928483 /nfs/dbraw/zinc/92/84/83/942928483.db2.gz HDKLWEYTKJVOAH-SJBKTWHCSA-N 2 0 357.586 3.807 20 0 FHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000378616450 942965749 /nfs/dbraw/zinc/96/57/49/942965749.db2.gz OTURMUWVIWYGFF-PXNSSMCTSA-N 2 0 366.509 3.603 20 0 FHADRP COc1cc(CN[C@@H](C[NH3+])C2CCCCC2)ccc1OCC(F)(F)F ZINC000414855251 942980499 /nfs/dbraw/zinc/98/04/99/942980499.db2.gz WKZYADFLASYQSZ-HNNXBMFYSA-N 2 0 360.420 3.634 20 0 FHADRP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505573435 943057889 /nfs/dbraw/zinc/05/78/89/943057889.db2.gz BTGHUHRLRLJTBV-VGOFRKELSA-N 2 0 374.488 3.668 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414859266 943061729 /nfs/dbraw/zinc/06/17/29/943061729.db2.gz TYJFAZMMOZXWOJ-SNVBAGLBSA-N 2 0 351.210 3.557 20 0 FHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000271861047 943061895 /nfs/dbraw/zinc/06/18/95/943061895.db2.gz KMQCDBFXDXUDCC-QFBILLFUSA-N 2 0 362.489 3.686 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272161663 943103272 /nfs/dbraw/zinc/10/32/72/943103272.db2.gz HUSUFSNTASSFCZ-GOSISDBHSA-N 2 0 359.558 3.721 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc2)c1 ZINC000414654716 943115897 /nfs/dbraw/zinc/11/58/97/943115897.db2.gz GMAOSIVRISXIRA-BTYIYWSLSA-N 2 0 356.466 3.665 20 0 FHADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656490 943117293 /nfs/dbraw/zinc/11/72/93/943117293.db2.gz FVTAZRCOBPBSJB-YJBOKZPZSA-N 2 0 358.457 3.582 20 0 FHADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272281174 943128655 /nfs/dbraw/zinc/12/86/55/943128655.db2.gz ADKXGSGLOZPSCO-JTJHWIPRSA-N 2 0 350.510 3.583 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000236844713 943139323 /nfs/dbraw/zinc/13/93/23/943139323.db2.gz ZHEBTDNTWICDMN-UHFFFAOYSA-N 2 0 362.521 3.595 20 0 FHADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414865685 943143356 /nfs/dbraw/zinc/14/33/56/943143356.db2.gz ZMTGZZJKWHTMOA-FXAWDEMLSA-N 2 0 354.494 3.752 20 0 FHADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414865688 943143390 /nfs/dbraw/zinc/14/33/90/943143390.db2.gz ZMTGZZJKWHTMOA-YLJYHZDGSA-N 2 0 354.494 3.752 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000414662890 943148421 /nfs/dbraw/zinc/14/84/21/943148421.db2.gz ZZZHSCSPRKCDBC-UHFFFAOYSA-N 2 0 350.466 3.611 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665888 943165306 /nfs/dbraw/zinc/16/53/06/943165306.db2.gz VSJUZYOBYBZQDI-AEFFLSMTSA-N 2 0 354.494 3.930 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665893 943165415 /nfs/dbraw/zinc/16/54/15/943165415.db2.gz VSJUZYOBYBZQDI-SJLPKXTDSA-N 2 0 354.494 3.930 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000511587902 943212049 /nfs/dbraw/zinc/21/20/49/943212049.db2.gz MHHGQQJVFSZPKE-UHFFFAOYSA-N 2 0 352.522 3.643 20 0 FHADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000422636171 943215907 /nfs/dbraw/zinc/21/59/07/943215907.db2.gz MOCKVJNSPDNZFR-HBFSDRIKSA-N 2 0 365.521 3.987 20 0 FHADRP c1[nH+]cn2ccc(-c3noc([C@H]4CCC[N@@H+](Cc5ccccc5)C4)n3)cc12 ZINC000514710296 943238699 /nfs/dbraw/zinc/23/86/99/943238699.db2.gz NPOABXVGMCCFPT-SFHVURJKSA-N 2 0 359.433 3.764 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cc(Br)ccc1F ZINC000422703576 943239492 /nfs/dbraw/zinc/23/94/92/943239492.db2.gz NJQKRYOWXGDKOX-NSHDSACASA-N 2 0 366.278 3.644 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC(F)(F)F)c2ccccc2)CC[NH2+]CC1 ZINC000422708532 943241913 /nfs/dbraw/zinc/24/19/13/943241913.db2.gz JBBZBPBVMNHQBE-GDBMZVCRSA-N 2 0 372.431 3.591 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(SCC)cc2)CC[NH2+]CC1 ZINC000422711828 943244155 /nfs/dbraw/zinc/24/41/55/943244155.db2.gz HLGZTZRLBAUEGQ-HZPDHXFCSA-N 2 0 364.555 3.771 20 0 FHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC(C(C)(C)C)CC2)CC1 ZINC000511591782 943248290 /nfs/dbraw/zinc/24/82/90/943248290.db2.gz KESKHYYNBMEMFO-UHFFFAOYSA-N 2 0 351.579 3.512 20 0 FHADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713380 943253857 /nfs/dbraw/zinc/25/38/57/943253857.db2.gz JOIXIEWTJPORLM-MYDTUXCISA-N 2 0 373.585 3.596 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])ccn2)cc1 ZINC000422718726 943256312 /nfs/dbraw/zinc/25/63/12/943256312.db2.gz XLBLTLUYBKDWNQ-FXAWDEMLSA-N 2 0 355.482 3.880 20 0 FHADRP COc1ccc([C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422720619 943258032 /nfs/dbraw/zinc/25/80/32/943258032.db2.gz ZUGWEISKDIAOEO-VSKRKVRLSA-N 2 0 371.500 3.520 20 0 FHADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422723516 943259274 /nfs/dbraw/zinc/25/92/74/943259274.db2.gz RQRSJOYTJFFIEU-DJIMGWMZSA-N 2 0 352.906 3.758 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000416969632 943263126 /nfs/dbraw/zinc/26/31/26/943263126.db2.gz CDYADCPZYHHTDB-RXVVDRJESA-N 2 0 374.573 3.576 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422758681 943263432 /nfs/dbraw/zinc/26/34/32/943263432.db2.gz JQXVURMFUNRNNK-PWRODBHTSA-N 2 0 360.517 3.774 20 0 FHADRP Cc1ccccc1OCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741536 943267121 /nfs/dbraw/zinc/26/71/21/943267121.db2.gz OSJMFKPMCOJNOO-SIKLNZKXSA-N 2 0 352.478 3.609 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000416982946 943267654 /nfs/dbraw/zinc/26/76/54/943267654.db2.gz WPFDQINWMFAVAV-WIYYLYMNSA-N 2 0 374.573 3.576 20 0 FHADRP C[C@H]([NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422744544 943269446 /nfs/dbraw/zinc/26/94/46/943269446.db2.gz TVUBJURPJUEFNR-AZKPJATDSA-N 2 0 355.345 3.820 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422744432 943269649 /nfs/dbraw/zinc/26/96/49/943269649.db2.gz SWKSAQVZRJRJAE-FFSVYQOJSA-N 2 0 355.345 3.964 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422747689 943270395 /nfs/dbraw/zinc/27/03/95/943270395.db2.gz ZJWPDQUNWOKKTF-GOSISDBHSA-N 3 0 366.553 3.931 20 0 FHADRP FC(F)(F)c1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC000422751897 943272372 /nfs/dbraw/zinc/27/23/72/943272372.db2.gz DFQYPEPQFVMLTM-JWTNVVGKSA-N 2 0 368.443 3.626 20 0 FHADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422752003 943272382 /nfs/dbraw/zinc/27/23/82/943272382.db2.gz CDYUZEQUNABKKL-LPHOPBHVSA-N 2 0 356.489 3.616 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422757125 943273710 /nfs/dbraw/zinc/27/37/10/943273710.db2.gz IDYDLCFGJSNIER-SPUZQDLCSA-N 2 0 355.448 3.558 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769311 943276948 /nfs/dbraw/zinc/27/69/48/943276948.db2.gz OPIYSFMMVDYKAN-YCRPNKLZSA-N 2 0 355.482 3.668 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776084 943278230 /nfs/dbraw/zinc/27/82/30/943278230.db2.gz CEKFSGAISUHETL-OLZOCXBDSA-N 2 0 373.324 3.965 20 0 FHADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778862 943280258 /nfs/dbraw/zinc/28/02/58/943280258.db2.gz HWZWTWAVSAFPIA-CWRNSKLLSA-N 2 0 357.329 3.701 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784305 943282470 /nfs/dbraw/zinc/28/24/70/943282470.db2.gz NYRHYXLYQXQBHQ-LXBDKUERSA-N 2 0 366.505 3.862 20 0 FHADRP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422787835 943283225 /nfs/dbraw/zinc/28/32/25/943283225.db2.gz AGQGOYHVSRESFV-BHDDXSALSA-N 2 0 370.468 3.865 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764327 943284748 /nfs/dbraw/zinc/28/47/48/943284748.db2.gz PWNHAOKXVUMNDT-KMCQBPLKSA-N 3 0 357.464 3.804 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797828 943287383 /nfs/dbraw/zinc/28/73/83/943287383.db2.gz OQVHCTPFNYLZKU-BNEJOLLZSA-N 2 0 367.331 3.727 20 0 FHADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802864 943289358 /nfs/dbraw/zinc/28/93/58/943289358.db2.gz FELUGOJTGHRKDR-VAMGGRTRSA-N 2 0 352.526 3.701 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422807662 943289891 /nfs/dbraw/zinc/28/98/91/943289891.db2.gz KAQZVNBXVPLHCV-JTQLQIEISA-N 2 0 355.816 3.954 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422811118 943291508 /nfs/dbraw/zinc/29/15/08/943291508.db2.gz OLGPLOQNNCCTFK-ZDUSSCGKSA-N 2 0 367.415 3.778 20 0 FHADRP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791456 943293844 /nfs/dbraw/zinc/29/38/44/943293844.db2.gz YNFRPRCTXIATGO-BPXKWBHBSA-N 2 0 352.478 3.992 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1cccc2cccnc21 ZINC000422819795 943295513 /nfs/dbraw/zinc/29/55/13/943295513.db2.gz OEJIHGDQECZMBP-REWPJTCUSA-N 2 0 359.473 3.623 20 0 FHADRP Fc1ccc2c(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422842298 943296373 /nfs/dbraw/zinc/29/63/73/943296373.db2.gz XZCMVJJORBAXJA-UNMCSNQZSA-N 2 0 365.452 3.695 20 0 FHADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828862 943298132 /nfs/dbraw/zinc/29/81/32/943298132.db2.gz BNJRPZQZGLDKLH-GFOJFJKKSA-N 2 0 361.599 3.861 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422841012 943301977 /nfs/dbraw/zinc/30/19/77/943301977.db2.gz VASMYBYUSFDOFK-FYYLOGMGSA-N 3 0 371.569 3.590 20 0 FHADRP FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422815422 943302611 /nfs/dbraw/zinc/30/26/11/943302611.db2.gz BOTUDWIQWVRZFE-FGTMMUONSA-N 2 0 361.496 3.551 20 0 FHADRP c1ccc(Oc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422857442 943307952 /nfs/dbraw/zinc/30/79/52/943307952.db2.gz HPWVCCIQWPPIIP-YPAWHYETSA-N 2 0 352.478 3.726 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422860917 943308670 /nfs/dbraw/zinc/30/86/70/943308670.db2.gz NEPPFXCDIUAOSO-CEXWTWQISA-N 2 0 360.542 3.882 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000422859709 943308806 /nfs/dbraw/zinc/30/88/06/943308806.db2.gz KELMWFWNNLLXNR-DNVJHFABSA-N 2 0 366.553 3.932 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422861548 943309630 /nfs/dbraw/zinc/30/96/30/943309630.db2.gz OJJQSAXGADFTOA-APWZRJJASA-N 2 0 356.510 3.530 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)n1 ZINC000422868300 943310605 /nfs/dbraw/zinc/31/06/05/943310605.db2.gz UVEPZBNEQQJBDS-AUSIDOKSSA-N 2 0 362.521 3.580 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1Br ZINC000422880357 943315065 /nfs/dbraw/zinc/31/50/65/943315065.db2.gz NZKZSYJPOCWJCU-HYVNUMGLSA-N 2 0 367.331 3.858 20 0 FHADRP CCC[C@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000422881902 943315543 /nfs/dbraw/zinc/31/55/43/943315543.db2.gz ZOBPMRYBDDCQND-KDOFPFPSSA-N 2 0 368.468 3.717 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000422882023 943315579 /nfs/dbraw/zinc/31/55/79/943315579.db2.gz OTTUCERXCLKLMQ-YQQAZPJKSA-N 2 0 350.503 3.674 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883290 943316155 /nfs/dbraw/zinc/31/61/55/943316155.db2.gz UPWVULBJPRCQOY-UTJXIGIESA-N 2 0 357.325 3.844 20 0 FHADRP CC[C@H](C)[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882496 943316185 /nfs/dbraw/zinc/31/61/85/943316185.db2.gz AUXCUNOVXGRTDG-OZIGNCPNSA-N 2 0 373.585 3.598 20 0 FHADRP CC[C@H](C)[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882501 943316321 /nfs/dbraw/zinc/31/63/21/943316321.db2.gz AUXCUNOVXGRTDG-WEMPKCCASA-N 2 0 373.585 3.598 20 0 FHADRP CC[C@H](C)[C@@H]([NH2+][C@H](C)CCC[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422883127 943316414 /nfs/dbraw/zinc/31/64/14/943316414.db2.gz BPZRDYCTVWZDTE-NNMXDRDESA-N 2 0 373.585 3.599 20 0 FHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422889274 943319108 /nfs/dbraw/zinc/31/91/08/943319108.db2.gz PFHGGXSPUONGBX-JTHBVZDNSA-N 2 0 361.489 3.946 20 0 FHADRP CCOCCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422889766 943319679 /nfs/dbraw/zinc/31/96/79/943319679.db2.gz QPIGWGZUASRABA-DENIHFKCSA-N 2 0 358.526 3.819 20 0 FHADRP Cc1cccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000422903296 943324988 /nfs/dbraw/zinc/32/49/88/943324988.db2.gz FJBVHACCRJIUMQ-DNVJHFABSA-N 2 0 350.506 3.909 20 0 FHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422902077 943325298 /nfs/dbraw/zinc/32/52/98/943325298.db2.gz CWCQMNHDOAFLDU-NQIIRXRSSA-N 2 0 357.542 3.500 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422903355 943325302 /nfs/dbraw/zinc/32/53/02/943325302.db2.gz OILUJPXUFSFJGH-DFQSSKMNSA-N 2 0 356.489 3.720 20 0 FHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422902079 943325351 /nfs/dbraw/zinc/32/53/51/943325351.db2.gz CWCQMNHDOAFLDU-WIYYLYMNSA-N 2 0 357.542 3.500 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422902990 943325829 /nfs/dbraw/zinc/32/58/29/943325829.db2.gz VMEAESPHIOPRGF-WOJBJXKFSA-N 2 0 374.569 3.952 20 0 FHADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422893310 943330468 /nfs/dbraw/zinc/33/04/68/943330468.db2.gz PZRBYFFTBREPPR-FGZHOGPDSA-N 2 0 353.510 3.642 20 0 FHADRP Cc1ccc(OCCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422894052 943330840 /nfs/dbraw/zinc/33/08/40/943330840.db2.gz BLSDOPHIQGKHHL-GGAORHGYSA-N 2 0 366.505 4.000 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCCCO2 ZINC000422924716 943333529 /nfs/dbraw/zinc/33/35/29/943333529.db2.gz BARIRBMAWFIAFV-BPQIPLTHSA-N 2 0 364.917 3.902 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1Br ZINC000422928805 943334395 /nfs/dbraw/zinc/33/43/95/943334395.db2.gz MSMBPVTZFLSSSX-CHWSQXEVSA-N 2 0 362.315 3.893 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927751 943334641 /nfs/dbraw/zinc/33/46/41/943334641.db2.gz GYWZNHYXWFZNKC-LBPRGKRZSA-N 2 0 353.388 3.641 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000660150662 943335210 /nfs/dbraw/zinc/33/52/10/943335210.db2.gz KPTYVYGCGKJXES-OAQYLSRUSA-N 2 0 355.570 3.597 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422934592 943337068 /nfs/dbraw/zinc/33/70/68/943337068.db2.gz CRAWKAALURAXNV-VPKVUBIPSA-N 2 0 368.477 3.610 20 0 FHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000422935630 943337511 /nfs/dbraw/zinc/33/75/11/943337511.db2.gz LFVXXWDMYCRPJK-XKQJLSEDSA-N 2 0 355.295 3.641 20 0 FHADRP C[C@H](CC[N@@H+]1CC[C@H](c2ccncc2)C1)[NH+]1CC[C@H](c2ccncc2)C1 ZINC000584662849 943339976 /nfs/dbraw/zinc/33/99/76/943339976.db2.gz MWSVKRRENFQTHX-COPCDDAFSA-N 2 0 350.510 3.534 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414705559 943340058 /nfs/dbraw/zinc/34/00/58/943340058.db2.gz FLRKXWROBXMZID-IRXDYDNUSA-N 2 0 358.530 3.652 20 0 FHADRP c1ccc(COc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422967510 943343833 /nfs/dbraw/zinc/34/38/33/943343833.db2.gz CCDYIPTUKVARJX-PWRODBHTSA-N 2 0 351.494 3.671 20 0 FHADRP c1ccc(COc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422967511 943344308 /nfs/dbraw/zinc/34/43/08/943344308.db2.gz CCDYIPTUKVARJX-QHAWAJNXSA-N 2 0 351.494 3.671 20 0 FHADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422945567 943345659 /nfs/dbraw/zinc/34/56/59/943345659.db2.gz UXSNUVWARJTJIK-NJDAHSKKSA-N 2 0 357.542 3.617 20 0 FHADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCCO2 ZINC000422950088 943346785 /nfs/dbraw/zinc/34/67/85/943346785.db2.gz VERJDRBEKPWNFT-WOIUINJBSA-N 2 0 368.452 3.885 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952427 943347697 /nfs/dbraw/zinc/34/76/97/943347697.db2.gz BEYISDIIAPDUOP-AWEZNQCLSA-N 2 0 367.522 3.651 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCCC1 ZINC000414706654 943348561 /nfs/dbraw/zinc/34/85/61/943348561.db2.gz GUJZMUOEVQBLPE-AZUAARDMSA-N 2 0 370.541 3.667 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000414706661 943348606 /nfs/dbraw/zinc/34/86/06/943348606.db2.gz GUJZMUOEVQBLPE-UYAOXDASSA-N 2 0 370.541 3.667 20 0 FHADRP Fc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422956315 943348850 /nfs/dbraw/zinc/34/88/50/943348850.db2.gz PGWZOTNOEFZQBV-AZUAARDMSA-N 2 0 360.860 3.867 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422955765 943349273 /nfs/dbraw/zinc/34/92/73/943349273.db2.gz NKEKSRQAZMECQV-LAUBAEHRSA-N 2 0 355.551 3.606 20 0 FHADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422957435 943349493 /nfs/dbraw/zinc/34/94/93/943349493.db2.gz UBSSXRXAUSMEBE-XUVXKRRUSA-N 2 0 353.510 3.904 20 0 FHADRP COc1cccc(C2([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422958113 943350044 /nfs/dbraw/zinc/35/00/44/943350044.db2.gz OPXIYNOQXMEKLA-TZIWHRDSSA-N 2 0 350.462 3.530 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957468 943350199 /nfs/dbraw/zinc/35/01/99/943350199.db2.gz UGXONKUFPCIYJR-APWZRJJASA-N 2 0 366.534 3.686 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422960154 943350848 /nfs/dbraw/zinc/35/08/48/943350848.db2.gz VLIYLOIAIADGHF-WMLDXEAASA-N 2 0 362.905 3.833 20 0 FHADRP C[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000414709481 943354765 /nfs/dbraw/zinc/35/47/65/943354765.db2.gz JZJAROZSANBOKK-PKOBYXMFSA-N 2 0 372.557 3.900 20 0 FHADRP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999476 943360506 /nfs/dbraw/zinc/36/05/06/943360506.db2.gz FGCVIDRBCZSFSD-NZQKXSOJSA-N 2 0 366.505 3.818 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423011178 943364138 /nfs/dbraw/zinc/36/41/38/943364138.db2.gz ANUWZLGZHNHHBK-JDFRZJQESA-N 2 0 357.325 3.757 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012481 943364362 /nfs/dbraw/zinc/36/43/62/943364362.db2.gz DEIBXOVLVUNLQB-GKCIPKSASA-N 2 0 360.498 3.819 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c(F)c1 ZINC000423013259 943364606 /nfs/dbraw/zinc/36/46/06/943364606.db2.gz MLHYKLHFTOQDKI-DENIHFKCSA-N 2 0 370.443 3.842 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423012193 943364888 /nfs/dbraw/zinc/36/48/88/943364888.db2.gz KGDHFGSVQSNYID-HYVJGQCMSA-N 2 0 366.505 3.719 20 0 FHADRP C[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000414711765 943365284 /nfs/dbraw/zinc/36/52/84/943365284.db2.gz MXZKTSIIFFTEIV-QFBILLFUSA-N 2 0 358.530 3.652 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023130 943365475 /nfs/dbraw/zinc/36/54/75/943365475.db2.gz JAXWRBHORLFNMP-NBQZKYEYSA-N 2 0 361.892 3.606 20 0 FHADRP C[NH2+]C[C@H]1CCCN(Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000435372758 943365504 /nfs/dbraw/zinc/36/55/04/943365504.db2.gz KTNIWCYKNBUGAI-QGZVFWFLSA-N 2 0 360.933 3.633 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000435377210 943365992 /nfs/dbraw/zinc/36/59/92/943365992.db2.gz ZEDFLMHFFMXZGV-NRFANRHFSA-N 2 0 351.494 3.721 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000435378121 943366928 /nfs/dbraw/zinc/36/69/28/943366928.db2.gz CCJIJXCSCRHHAG-JQHSSLGASA-N 2 0 358.507 3.505 20 0 FHADRP CN1CC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023362 943367519 /nfs/dbraw/zinc/36/75/19/943367519.db2.gz JRDQFDPKTDSUAH-PRPBGHMLSA-N 2 0 353.913 3.579 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435379130 943368760 /nfs/dbraw/zinc/36/87/60/943368760.db2.gz LBTCEFABCXZWSA-RHSMWYFYSA-N 2 0 360.933 3.761 20 0 FHADRP C[N@@H+]1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022948 943369350 /nfs/dbraw/zinc/36/93/50/943369350.db2.gz ISHIISYELWPADL-ZWQIFLOQSA-N 2 0 353.913 3.722 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381307 943369438 /nfs/dbraw/zinc/36/94/38/943369438.db2.gz WANPPBVHMPHMRU-SJLPKXTDSA-N 2 0 366.534 3.829 20 0 FHADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022898 943369616 /nfs/dbraw/zinc/36/96/16/943369616.db2.gz IMYLTRKAPRGFRW-KNEBKQPDSA-N 2 0 353.913 3.592 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CCCCC1 ZINC000423032749 943372669 /nfs/dbraw/zinc/37/26/69/943372669.db2.gz YOCZADHFVOBVCU-BXWFABGCSA-N 2 0 350.934 3.884 20 0 FHADRP Clc1cc2c(c(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c1)OCC2 ZINC000423039999 943374583 /nfs/dbraw/zinc/37/45/83/943374583.db2.gz SBZRFQLURKGVJS-NQIIRXRSSA-N 2 0 370.880 3.620 20 0 FHADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000423044403 943375591 /nfs/dbraw/zinc/37/55/91/943375591.db2.gz BDTFKKDPBQSFRS-CGTJXYLNSA-N 2 0 362.315 3.941 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(-c2ccccc2)cc1OC ZINC000435390975 943378329 /nfs/dbraw/zinc/37/83/29/943378329.db2.gz CVDYSAAVKALNKG-INIZCTEOSA-N 2 0 354.494 3.930 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cc3cccc(F)c3o2)CC[NH2+]CC1 ZINC000423068462 943380970 /nfs/dbraw/zinc/38/09/70/943380970.db2.gz JXEAWFGRSPQZNJ-KGLIPLIRSA-N 2 0 362.445 3.544 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423070336 943381641 /nfs/dbraw/zinc/38/16/41/943381641.db2.gz GADXYQKUQCICMX-GRDNDAEWSA-N 2 0 354.897 3.633 20 0 FHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423071842 943381979 /nfs/dbraw/zinc/38/19/79/943381979.db2.gz PBJJLEKOZIRMIP-XQBPLPMBSA-N 2 0 350.462 3.664 20 0 FHADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423071839 943382172 /nfs/dbraw/zinc/38/21/72/943382172.db2.gz PBJJLEKOZIRMIP-DXIQSLLYSA-N 2 0 350.462 3.664 20 0 FHADRP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050212 943383563 /nfs/dbraw/zinc/38/35/63/943383563.db2.gz YKEVNAYDGAMGFI-JQVVWYNYSA-N 2 0 368.452 3.885 20 0 FHADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049580 943383862 /nfs/dbraw/zinc/38/38/62/943383862.db2.gz KGUIJDUFKNLBGU-NCXUSEDFSA-N 2 0 369.475 3.818 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423055102 943385630 /nfs/dbraw/zinc/38/56/30/943385630.db2.gz VUAWDCLOJOMRNZ-KRWDZBQOSA-N 2 0 353.510 3.886 20 0 FHADRP CCCNc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078665 943386338 /nfs/dbraw/zinc/38/63/38/943386338.db2.gz WLPOTIWGZFAIEI-IRLDBZIGSA-N 2 0 351.494 3.854 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423081235 943386888 /nfs/dbraw/zinc/38/68/88/943386888.db2.gz USJSZEJTLLDGLZ-DFQSSKMNSA-N 2 0 358.526 3.624 20 0 FHADRP COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423084164 943388178 /nfs/dbraw/zinc/38/81/78/943388178.db2.gz HLZFBFGFJKJEQQ-ZJOUEHCJSA-N 2 0 372.896 3.873 20 0 FHADRP CCO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089110 943390593 /nfs/dbraw/zinc/39/05/93/943390593.db2.gz RRZRXVLEAXKDPJ-FCEUIQTBSA-N 2 0 352.478 3.610 20 0 FHADRP CCn1ccnc1C[N@H+](C[C@@H](C)Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433254 943396750 /nfs/dbraw/zinc/39/67/50/943396750.db2.gz MZONXZCELNCORC-PZJWPPBQSA-N 2 0 366.553 3.726 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119735 943396844 /nfs/dbraw/zinc/39/68/44/943396844.db2.gz DMUOYWOEMLQZBS-SWLSCSKDSA-N 2 0 350.304 3.580 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122572 943397655 /nfs/dbraw/zinc/39/76/55/943397655.db2.gz KAIPUXBCPBOAKT-YSFYHYPLSA-N 2 0 359.558 3.587 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCCC1 ZINC000423147538 943407196 /nfs/dbraw/zinc/40/71/96/943407196.db2.gz CTKQCFBKCRRQEO-KFKAGJAMSA-N 2 0 350.934 3.884 20 0 FHADRP CSc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423146192 943407263 /nfs/dbraw/zinc/40/72/63/943407263.db2.gz OLHLCGOPZZZIBA-DQLDELGASA-N 2 0 357.567 3.559 20 0 FHADRP CCn1ccnc1CN(Cc1cc(C)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440498 943417994 /nfs/dbraw/zinc/41/79/94/943417994.db2.gz XCPHJUQXUJSFQC-HXUWFJFHSA-N 2 0 352.526 3.664 20 0 FHADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143286 943418592 /nfs/dbraw/zinc/41/85/92/943418592.db2.gz WWLSGAMHMSSSEL-GCJKJVERSA-N 2 0 351.494 3.513 20 0 FHADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143893 943419067 /nfs/dbraw/zinc/41/90/67/943419067.db2.gz FJZQEBIXXUZZLP-BQJUDKOJSA-N 2 0 361.599 3.912 20 0 FHADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167903 943424451 /nfs/dbraw/zinc/42/44/51/943424451.db2.gz GAFDDWCCKWPHMG-SIKLNZKXSA-N 2 0 351.494 3.725 20 0 FHADRP FC(F)Oc1ccc(C[NH2+]CCCNCc2cccnc2)cc1Cl ZINC000414869715 943444286 /nfs/dbraw/zinc/44/42/86/943444286.db2.gz BRJGHHLMFJTACH-UHFFFAOYSA-N 2 0 355.816 3.606 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000423214597 943445155 /nfs/dbraw/zinc/44/51/55/943445155.db2.gz LKAQPHNWNGQQHC-NBMJBFSESA-N 2 0 364.505 3.812 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215905 943446370 /nfs/dbraw/zinc/44/63/70/943446370.db2.gz PDADYADARLAQSS-XWFWWPBSSA-N 3 0 353.554 3.550 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCS2 ZINC000423257362 943461383 /nfs/dbraw/zinc/46/13/83/943461383.db2.gz IZZFVVFBNXDTGA-IUODEOHRSA-N 2 0 355.345 3.965 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423260502 943462810 /nfs/dbraw/zinc/46/28/10/943462810.db2.gz QFQCJAICUZJMRV-CJNGLKHVSA-N 2 0 353.304 3.642 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423285163 943463774 /nfs/dbraw/zinc/46/37/74/943463774.db2.gz XSRCWWDMZCJMLP-TXJVSEOTSA-N 2 0 364.505 3.942 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc1 ZINC000423291600 943465391 /nfs/dbraw/zinc/46/53/91/943465391.db2.gz IXUVSMJGNSIWDS-KBPBESRZSA-N 2 0 355.873 3.791 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1 ZINC000423291904 943465903 /nfs/dbraw/zinc/46/59/03/943465903.db2.gz KLQXFOQFYKAIBX-IRXDYDNUSA-N 2 0 364.493 3.870 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292962 943467302 /nfs/dbraw/zinc/46/73/02/943467302.db2.gz PDMIYOXVKQLGQP-CVEARBPZSA-N 2 0 358.482 3.591 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423328335 943481336 /nfs/dbraw/zinc/48/13/36/943481336.db2.gz MAGDBGMPFWDZDG-DHIUTWEWSA-N 2 0 368.521 3.967 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000584718724 943482073 /nfs/dbraw/zinc/48/20/73/943482073.db2.gz ZNFGLYICBBXVFM-NPPFBWRTSA-N 2 0 365.521 3.831 20 0 FHADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000423354652 943488318 /nfs/dbraw/zinc/48/83/18/943488318.db2.gz NTCYVMPDJSGPKD-UWJYYQICSA-N 2 0 359.558 3.687 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000423354984 943489318 /nfs/dbraw/zinc/48/93/18/943489318.db2.gz DLVIFAKXBPQIQV-WBVHZDCISA-N 2 0 357.523 3.928 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423368637 943493700 /nfs/dbraw/zinc/49/37/00/943493700.db2.gz BGCOUPMJYHCLMN-UWJYYQICSA-N 2 0 357.542 3.626 20 0 FHADRP Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC000423391075 943500023 /nfs/dbraw/zinc/50/00/23/943500023.db2.gz PEANDVBPCSSWBE-LJQANCHMSA-N 2 0 357.295 3.699 20 0 FHADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423395358 943500537 /nfs/dbraw/zinc/50/05/37/943500537.db2.gz SPMDHLPJJNKEIG-LMMKCTJWSA-N 2 0 364.493 3.704 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423376713 943504039 /nfs/dbraw/zinc/50/40/39/943504039.db2.gz YMHMAEYUZPXYTD-JQHSSLGASA-N 2 0 350.478 3.566 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC000423402504 943507603 /nfs/dbraw/zinc/50/76/03/943507603.db2.gz XUIUIQHZACXVFS-COXVUDFISA-N 2 0 355.320 3.647 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CC[NH2+]CC1 ZINC000423408560 943509190 /nfs/dbraw/zinc/50/91/90/943509190.db2.gz OWRHGAQFNFHHTL-OAHLLOKOSA-N 2 0 354.922 3.794 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)CC[NH2+]CC1 ZINC000423413151 943510901 /nfs/dbraw/zinc/51/09/01/943510901.db2.gz YLEAFKGRHPNFIX-AWEZNQCLSA-N 2 0 363.502 3.616 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)CC[NH2+]CC1 ZINC000423413152 943510966 /nfs/dbraw/zinc/51/09/66/943510966.db2.gz YLEAFKGRHPNFIX-CQSZACIVSA-N 2 0 363.502 3.616 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000423426951 943515290 /nfs/dbraw/zinc/51/52/90/943515290.db2.gz PYPMJMVQMNXKKB-FNHZYXHNSA-N 2 0 357.523 3.581 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000423426953 943515447 /nfs/dbraw/zinc/51/54/47/943515447.db2.gz PYPMJMVQMNXKKB-UCLAIMLFSA-N 2 0 357.523 3.581 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000513809420 943519867 /nfs/dbraw/zinc/51/98/67/943519867.db2.gz KHLIBKGIIXSQAH-HXUWFJFHSA-N 2 0 359.558 3.626 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423462889 943522651 /nfs/dbraw/zinc/52/26/51/943522651.db2.gz PQWUCSITVOZETA-MCHQKVLOSA-N 2 0 353.279 3.681 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423464296 943523170 /nfs/dbraw/zinc/52/31/70/943523170.db2.gz QRLJBXCRTPXAFK-MDDYHTHFSA-N 3 0 353.554 3.535 20 0 FHADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473732 943525656 /nfs/dbraw/zinc/52/56/56/943525656.db2.gz NVUUIEVAKKKXGF-RBDMOPTHSA-N 2 0 355.501 3.915 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423453149 943528274 /nfs/dbraw/zinc/52/82/74/943528274.db2.gz AECXWCOVWTXEET-LZLYRXPVSA-N 2 0 364.555 3.571 20 0 FHADRP COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C(C)C)c(Br)c1 ZINC000423499200 943529658 /nfs/dbraw/zinc/52/96/58/943529658.db2.gz HOLWKJGJFKCDAX-IIYDPXPESA-N 2 0 355.320 3.872 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345506 943532667 /nfs/dbraw/zinc/53/26/67/943532667.db2.gz SBNONAKCIFKJFB-MVJPYGJCSA-N 2 0 356.535 3.597 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1N(C)C ZINC000423483239 943533101 /nfs/dbraw/zinc/53/31/01/943533101.db2.gz YRCRDPBKZMYDSB-PLMTUMEDSA-N 2 0 355.501 3.936 20 0 FHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423483812 943533112 /nfs/dbraw/zinc/53/31/12/943533112.db2.gz ZSQGZYVPNXSZJP-YRISNDGFSA-N 2 0 372.459 3.944 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423492479 943536206 /nfs/dbraw/zinc/53/62/06/943536206.db2.gz NFSRNFDRCQHTGD-BURFUSLBSA-N 2 0 350.478 3.552 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423495255 943537790 /nfs/dbraw/zinc/53/77/90/943537790.db2.gz UFPSGSPBPHJTRJ-COXVUDFISA-N 2 0 355.320 3.634 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417364830 943545936 /nfs/dbraw/zinc/54/59/36/943545936.db2.gz MHYONJPXIZCCNO-OAQYLSRUSA-N 2 0 374.573 3.577 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(C)c1OC ZINC000423526511 943547447 /nfs/dbraw/zinc/54/74/47/943547447.db2.gz LLJLOBHPMIFIMJ-ADJVZMAZSA-N 2 0 372.553 3.686 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@H]3C2)cc1 ZINC000423540992 943551634 /nfs/dbraw/zinc/55/16/34/943551634.db2.gz KIPNJGPAXQTHOE-IPJQNIFZSA-N 3 0 367.581 3.655 20 0 FHADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000423545464 943553127 /nfs/dbraw/zinc/55/31/27/943553127.db2.gz CQELHZGKYGOLDT-NRFANRHFSA-N 2 0 355.501 3.860 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423548271 943554091 /nfs/dbraw/zinc/55/40/91/943554091.db2.gz MKBNGCFRIOCOBO-QHSOUUPTSA-N 2 0 353.279 3.553 20 0 FHADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC000423570027 943559321 /nfs/dbraw/zinc/55/93/21/943559321.db2.gz MWDQWRPNOUKKTK-QFIPXVFZSA-N 2 0 367.537 3.729 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000423577755 943561286 /nfs/dbraw/zinc/56/12/86/943561286.db2.gz STJVEJGISLESFC-KRWDZBQOSA-N 2 0 365.512 3.784 20 0 FHADRP [NH3+]C1(CN[C@@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000423578172 943562288 /nfs/dbraw/zinc/56/22/88/943562288.db2.gz UASKEFGGQPEWHM-HXUWFJFHSA-N 2 0 371.475 3.535 20 0 FHADRP NC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423578757 943562351 /nfs/dbraw/zinc/56/23/51/943562351.db2.gz VAAAJHMFHNALCV-QFIPXVFZSA-N 2 0 364.537 3.506 20 0 FHADRP COc1cc(C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751693 943562911 /nfs/dbraw/zinc/56/29/11/943562911.db2.gz SXLIIHVCAGFMNC-UKRRQHHQSA-N 2 0 354.441 3.649 20 0 FHADRP COc1cc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000515204644 943565698 /nfs/dbraw/zinc/56/56/98/943565698.db2.gz JQYPWIVTCHVDCU-KURKYZTESA-N 2 0 353.510 3.897 20 0 FHADRP COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414756049 943594222 /nfs/dbraw/zinc/59/42/22/943594222.db2.gz QBIINMPUWBKEQH-AZUAARDMSA-N 2 0 353.510 3.523 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000414765717 943640451 /nfs/dbraw/zinc/64/04/51/943640451.db2.gz CBMHKRNECQSDAL-MSOLQXFVSA-N 2 0 357.325 3.754 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000423904805 943643860 /nfs/dbraw/zinc/64/38/60/943643860.db2.gz ORBRQWSYDIFYSP-BJLQDIEVSA-N 2 0 365.521 3.737 20 0 FHADRP C[NH+](C)CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000390213239 943697280 /nfs/dbraw/zinc/69/72/80/943697280.db2.gz FLDSDXTUDWILIX-UHFFFAOYSA-N 2 0 353.226 3.899 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000424111154 943736015 /nfs/dbraw/zinc/73/60/15/943736015.db2.gz FVNCHMAPUXLHMW-XLIONFOSSA-N 2 0 357.542 3.550 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000414775454 943736880 /nfs/dbraw/zinc/73/68/80/943736880.db2.gz CRZNGPXPMFSFGN-QCBQRGATSA-N 2 0 354.538 3.959 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC12CCOCC2 ZINC000414777380 943784318 /nfs/dbraw/zinc/78/43/18/943784318.db2.gz IFDWMJJFLBGSDC-FQEVSTJZSA-N 2 0 354.469 3.680 20 0 FHADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777384 943784440 /nfs/dbraw/zinc/78/44/40/943784440.db2.gz IGDBOFPNVOTSDB-CVEARBPZSA-N 2 0 358.917 3.562 20 0 FHADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373800 943819090 /nfs/dbraw/zinc/81/90/90/943819090.db2.gz VLBNIBDNNGFESP-QUCCMNQESA-N 2 0 371.550 3.837 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1csc(COc3ccccc3)n1)CC[NH2+]CC2 ZINC000424287575 943819603 /nfs/dbraw/zinc/81/96/03/943819603.db2.gz JAGXYBDABQKRAX-INIZCTEOSA-N 2 0 357.523 3.686 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424286581 943819819 /nfs/dbraw/zinc/81/98/19/943819819.db2.gz HGXINFUDXHQYQN-ZDUSSCGKSA-N 2 0 370.324 3.786 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cn3cc(Cl)cc(Cl)c3n1)CC[NH2+]CC2 ZINC000424290403 943821507 /nfs/dbraw/zinc/82/15/07/943821507.db2.gz MMMVHFDMMITPDZ-GFCCVEGCSA-N 2 0 353.297 3.605 20 0 FHADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000414905340 943822652 /nfs/dbraw/zinc/82/26/52/943822652.db2.gz ONDIULGIDPEUDV-NRFANRHFSA-N 2 0 371.529 3.940 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000515367003 943830730 /nfs/dbraw/zinc/83/07/30/943830730.db2.gz DMYCSQIHUXHRQA-CYBMUJFWSA-N 2 0 355.320 3.840 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000424278317 943833222 /nfs/dbraw/zinc/83/32/22/943833222.db2.gz IGSCIHBITATUJB-CRAIPNDOSA-N 2 0 374.912 3.766 20 0 FHADRP Cc1ccncc1CCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000516962708 943867962 /nfs/dbraw/zinc/86/79/62/943867962.db2.gz DWENKFTYTTYGJV-WOJBJXKFSA-N 2 0 359.558 3.534 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785578 943880409 /nfs/dbraw/zinc/88/04/09/943880409.db2.gz SVGGZFPHGMAOOV-VQTJNVASSA-N 2 0 351.494 3.579 20 0 FHADRP CC(C)(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H]([NH3+])c1ccccc1 ZINC000417824857 943890666 /nfs/dbraw/zinc/89/06/66/943890666.db2.gz MFUJEYRMORAIBX-MRXNPFEDSA-N 2 0 365.399 3.829 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000417834559 943901213 /nfs/dbraw/zinc/90/12/13/943901213.db2.gz KFJPILABUUASIO-GMAHTHKFSA-N 2 0 350.506 3.537 20 0 FHADRP Cc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+]2CCCC2)cc1 ZINC000424438200 943914476 /nfs/dbraw/zinc/91/44/76/943914476.db2.gz PKFPBYHHEGUNIU-NRFANRHFSA-N 2 0 366.509 3.721 20 0 FHADRP CC[C@@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@@H+]1Cc1ccccc1 ZINC000424428768 943922981 /nfs/dbraw/zinc/92/29/81/943922981.db2.gz UUJKBBYNEOWIHX-OAQYLSRUSA-N 2 0 366.509 3.582 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000424436780 943928745 /nfs/dbraw/zinc/92/87/45/943928745.db2.gz NEGTZUFZIWZLIX-UHFFFAOYSA-N 2 0 374.916 3.703 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789236 943931078 /nfs/dbraw/zinc/93/10/78/943931078.db2.gz YDRJZFNWJKDFDE-RTBURBONSA-N 2 0 352.526 3.817 20 0 FHADRP CC[C@@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000511642257 943964586 /nfs/dbraw/zinc/96/45/86/943964586.db2.gz WNOQFZMMPXMRBC-IBGZPJMESA-N 2 0 373.585 3.596 20 0 FHADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000515520644 943975254 /nfs/dbraw/zinc/97/52/54/943975254.db2.gz HGCZTKCGRQJPLQ-VJANTYMQSA-N 2 0 359.558 3.557 20 0 FHADRP CCCCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000437648716 943998630 /nfs/dbraw/zinc/99/86/30/943998630.db2.gz HDPCLAAALUBVSB-NRFANRHFSA-N 2 0 374.573 3.909 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414800059 944013216 /nfs/dbraw/zinc/01/32/16/944013216.db2.gz KNVTYBALBBQDSB-SJLPKXTDSA-N 2 0 366.431 3.557 20 0 FHADRP c1ccc(OCCCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000437719792 944053135 /nfs/dbraw/zinc/05/31/35/944053135.db2.gz QXUOZWQGKQPERO-UHFFFAOYSA-N 2 0 360.542 3.670 20 0 FHADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000505136577 944065914 /nfs/dbraw/zinc/06/59/14/944065914.db2.gz SKQZMFZIXGIEEI-SFTDATJTSA-N 2 0 359.558 3.524 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000414809088 944077337 /nfs/dbraw/zinc/07/73/37/944077337.db2.gz TXQJSRUPXFDJJX-WIYYLYMNSA-N 2 0 367.493 3.555 20 0 FHADRP CCOc1cccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1OC(F)F ZINC000414814333 944117450 /nfs/dbraw/zinc/11/74/50/944117450.db2.gz VGYWZYGQGLMJEQ-CYBMUJFWSA-N 2 0 350.409 3.996 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814963 944122127 /nfs/dbraw/zinc/12/21/27/944122127.db2.gz ZQAKBCGYHJFVNK-FUHWJXTLSA-N 2 0 360.523 3.943 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000425912122 944151612 /nfs/dbraw/zinc/15/16/12/944151612.db2.gz CNHVVXYMNOHOQX-BXRCABCMSA-N 2 0 372.553 3.986 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H](C)C1 ZINC000436289625 944175754 /nfs/dbraw/zinc/17/57/54/944175754.db2.gz YCEHGOHNMOGLIR-JKMAKKBCSA-N 2 0 366.496 3.937 20 0 FHADRP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515756405 944184693 /nfs/dbraw/zinc/18/46/93/944184693.db2.gz BTIVLBJNHGLOOT-QZTJIDSGSA-N 2 0 359.558 3.844 20 0 FHADRP C[NH2+]Cc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414973923 944236905 /nfs/dbraw/zinc/23/69/05/944236905.db2.gz JLCHXZIKDFCFMR-UHFFFAOYSA-N 2 0 352.526 3.549 20 0 FHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+](C)C ZINC000418188417 944247199 /nfs/dbraw/zinc/24/71/99/944247199.db2.gz UHCKBLZHYWBSDO-WWMYMODYSA-N 2 0 368.525 3.505 20 0 FHADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969586 944259051 /nfs/dbraw/zinc/25/90/51/944259051.db2.gz JEVDLPMUTBTYCC-LADGPHEKSA-N 2 0 369.597 3.846 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000550161450 944305819 /nfs/dbraw/zinc/30/58/19/944305819.db2.gz LTBIMNMEVQKJRQ-RTBURBONSA-N 2 0 357.542 3.593 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000473736581 944313295 /nfs/dbraw/zinc/31/32/95/944313295.db2.gz BEZSNWOCRXWPNS-WIYYLYMNSA-N 2 0 374.573 3.591 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000439091100 944329799 /nfs/dbraw/zinc/32/97/99/944329799.db2.gz YOBUMRLODZCNPE-DLBZAZTESA-N 2 0 361.530 3.959 20 0 FHADRP Clc1ccc(OCc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414982108 944338898 /nfs/dbraw/zinc/33/88/98/944338898.db2.gz YJEFMNHMCKJFPB-HNNXBMFYSA-N 2 0 365.930 3.997 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000438100844 944341378 /nfs/dbraw/zinc/34/13/78/944341378.db2.gz QUVDBLMLMHXQOO-UHFFFAOYSA-N 2 0 355.526 3.866 20 0 FHADRP C[C@@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438124129 944354610 /nfs/dbraw/zinc/35/46/10/944354610.db2.gz FKYXOESUFTYAES-FQEVSTJZSA-N 2 0 369.528 3.679 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426285651 944356627 /nfs/dbraw/zinc/35/66/27/944356627.db2.gz CIFCJCAMKWEUSV-CEWLAPEOSA-N 2 0 367.512 3.905 20 0 FHADRP CC1(C)C[N@H+](CCCn2ccnc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835869 944378788 /nfs/dbraw/zinc/37/87/88/944378788.db2.gz MLYGZOYPMFIMKY-JOCHJYFZSA-N 2 0 366.553 3.896 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438174549 944386003 /nfs/dbraw/zinc/38/60/03/944386003.db2.gz HKGQBUJSWPJAIS-UHFFFAOYSA-N 2 0 368.521 3.592 20 0 FHADRP Cc1cccc(F)c1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000759818719 944401573 /nfs/dbraw/zinc/40/15/73/944401573.db2.gz AWMXXZAMHXPBTC-UHFFFAOYSA-N 2 0 355.501 3.954 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000426303196 944417228 /nfs/dbraw/zinc/41/72/28/944417228.db2.gz WSYWYZJQTOPYDX-MJGOQNOKSA-N 2 0 371.500 3.696 20 0 FHADRP [NH3+]C1(Cc2cccc(F)c2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167977914 944433338 /nfs/dbraw/zinc/43/33/38/944433338.db2.gz JCNGJSBXQPKNEU-CBQGHPETSA-N 2 0 371.544 3.567 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118023 944501626 /nfs/dbraw/zinc/50/16/26/944501626.db2.gz QSBJXNOJTQTLAH-CVEARBPZSA-N 2 0 351.922 3.685 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000047039240 944525975 /nfs/dbraw/zinc/52/59/75/944525975.db2.gz ZQFDRJADVULXQX-QZTJIDSGSA-N 2 0 363.546 3.609 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414997498 944584037 /nfs/dbraw/zinc/58/40/37/944584037.db2.gz HKCIWKLMOOORFJ-DZGCQCFKSA-N 2 0 360.420 3.634 20 0 FHADRP C[C@H]1C[NH+](CCC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@H](C)O1 ZINC000426392488 944639627 /nfs/dbraw/zinc/63/96/27/944639627.db2.gz AOCVHPHJABYPKI-ROUUACIJSA-N 2 0 353.510 3.951 20 0 FHADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]C[C@@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270242 944649368 /nfs/dbraw/zinc/64/93/68/944649368.db2.gz KJWSUSWKMLNTPU-IRLDBZIGSA-N 2 0 354.538 3.861 20 0 FHADRP CC[C@H]1C[NH+](Cc2ccccc2C[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470758 944649849 /nfs/dbraw/zinc/64/98/49/944649849.db2.gz DQYKDPDRTLISGP-VXKWHMMOSA-N 2 0 360.542 3.688 20 0 FHADRP FC(F)(F)CCC[NH+]1CC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001279109692 944676415 /nfs/dbraw/zinc/67/64/15/944676415.db2.gz HGGGLGYRJUUSNN-UHFFFAOYSA-N 2 0 366.431 3.803 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414999941 944705692 /nfs/dbraw/zinc/70/56/92/944705692.db2.gz JPFMSBNBBOESFH-WMZOPIPTSA-N 2 0 360.933 3.809 20 0 FHADRP Brc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961401 944753054 /nfs/dbraw/zinc/75/30/54/944753054.db2.gz JTNBLQXBVWLNRY-AYHJJNSGSA-N 2 0 363.343 3.987 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564177 944766019 /nfs/dbraw/zinc/76/60/19/944766019.db2.gz YTQFQMMRDHYURV-QFIPXVFZSA-N 2 0 371.569 3.612 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000438560684 944770115 /nfs/dbraw/zinc/77/01/15/944770115.db2.gz HJHKHARPUBNFMU-FXAWDEMLSA-N 2 0 357.542 3.639 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000517899184 944791698 /nfs/dbraw/zinc/79/16/98/944791698.db2.gz NTAZHEXHCBQUQX-IBGZPJMESA-N 2 0 358.530 3.667 20 0 FHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000426775171 944792041 /nfs/dbraw/zinc/79/20/41/944792041.db2.gz RPIPBHHVGZZOPB-BGYRXZFFSA-N 2 0 360.542 3.667 20 0 FHADRP COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093593048 944795175 /nfs/dbraw/zinc/79/51/75/944795175.db2.gz FEPMZOFNAKVSEX-IBGZPJMESA-N 2 0 354.494 3.625 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445029 944824801 /nfs/dbraw/zinc/82/48/01/944824801.db2.gz KUGRDMFTRVIQLO-VQTJNVASSA-N 2 0 363.590 3.612 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1)C1CC1 ZINC000511677894 944903901 /nfs/dbraw/zinc/90/39/01/944903901.db2.gz RQMMELLFFKUOID-MBSDFSHPSA-N 2 0 371.569 3.911 20 0 FHADRP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000236702659 944920368 /nfs/dbraw/zinc/92/03/68/944920368.db2.gz XRKHAVIDBGBXCN-ZXFUBFMLSA-N 2 0 365.562 3.816 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000505937926 944944070 /nfs/dbraw/zinc/94/40/70/944944070.db2.gz ZWCTXEGBCULVGT-URVUXULASA-N 2 0 371.569 3.792 20 0 FHADRP CC(C)OCCC[NH+]1CCCC2(CCC[N@@H+](CCCOC(C)C)C2)C1 ZINC000518951879 944962185 /nfs/dbraw/zinc/96/21/85/944962185.db2.gz DXBUUTXGFZNKRH-UHFFFAOYSA-N 2 0 354.579 3.795 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414950699 945014112 /nfs/dbraw/zinc/01/41/12/945014112.db2.gz GILUWCPIHMSXIW-NOZJJQNGSA-N 2 0 351.210 3.556 20 0 FHADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000516569756 945020271 /nfs/dbraw/zinc/02/02/71/945020271.db2.gz FZBFCVLPWMJNKP-INIZCTEOSA-N 2 0 357.885 3.763 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000437106077 945027683 /nfs/dbraw/zinc/02/76/83/945027683.db2.gz FYSDLBPTDYHICM-RTBURBONSA-N 2 0 367.537 3.586 20 0 FHADRP CN(Cc1nccs1)[C@H]1CC12CC[NH+](C/C=C/c1ccncc1)CC2 ZINC000426167036 945057836 /nfs/dbraw/zinc/05/78/36/945057836.db2.gz INLBLHJNTJSXJN-DCKQQPRJSA-N 2 0 354.523 3.538 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC[C@@]3(CCCC(=O)N3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168048176 945393336 /nfs/dbraw/zinc/39/33/36/945393336.db2.gz UXBHMMIOEPABDM-QRICJDHISA-N 2 0 369.553 3.563 20 0 FHADRP CCO[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@H]1C ZINC000660719261 945420493 /nfs/dbraw/zinc/42/04/93/945420493.db2.gz BCVKYVDWXMHYRV-NCYKPQTJSA-N 2 0 366.590 3.651 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820412621 945445340 /nfs/dbraw/zinc/44/53/40/945445340.db2.gz MFUHNWWBXXHJPJ-INIZCTEOSA-N 2 0 368.529 3.562 20 0 FHADRP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000280900878 945455755 /nfs/dbraw/zinc/45/57/55/945455755.db2.gz OIOFPSJWJBSDNX-UHFFFAOYSA-N 2 0 352.482 3.979 20 0 FHADRP CSc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012394 945476980 /nfs/dbraw/zinc/47/69/80/945476980.db2.gz SMZLXSAKUISTSW-LSDHHAIUSA-N 2 0 355.345 3.649 20 0 FHADRP CC(=O)N(c1nc(C[NH2+][C@H](C)CCCC[NH3+])cs1)c1ccc(C)cc1 ZINC000415021276 945504003 /nfs/dbraw/zinc/50/40/03/945504003.db2.gz YDZNIUREKNMMSS-OAHLLOKOSA-N 2 0 360.527 3.743 20 0 FHADRP Fc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1-c1cccs1 ZINC000415048911 945513570 /nfs/dbraw/zinc/51/35/70/945513570.db2.gz GOPABDWGAAYDMO-UHFFFAOYSA-N 2 0 373.541 3.860 20 0 FHADRP CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000187693853 945561583 /nfs/dbraw/zinc/56/15/83/945561583.db2.gz BSNBGFWXVWQDKJ-LJQANCHMSA-N 2 0 359.539 3.671 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000281260882 945583227 /nfs/dbraw/zinc/58/32/27/945583227.db2.gz GYCAOYZATHEJGP-UHFFFAOYSA-N 2 0 358.530 3.783 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000044292350 945585880 /nfs/dbraw/zinc/58/58/80/945585880.db2.gz YOLGCFAWGLENNG-LJQANCHMSA-N 2 0 370.497 3.690 20 0 FHADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000187783869 945609890 /nfs/dbraw/zinc/60/98/90/945609890.db2.gz UBEFJFZBJVQQBU-PWHSHALESA-N 2 0 374.569 3.696 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443978283 945618393 /nfs/dbraw/zinc/61/83/93/945618393.db2.gz LGAIQSUQKJJERH-SFHVURJKSA-N 2 0 371.500 3.734 20 0 FHADRP Cc1noc2ncc(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894422993 945621540 /nfs/dbraw/zinc/62/15/40/945621540.db2.gz NOHASCAZABYDRR-KXBFYZLASA-N 2 0 350.466 3.531 20 0 FHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000281455909 945641337 /nfs/dbraw/zinc/64/13/37/945641337.db2.gz DNNFIIBBNOGQQV-ZMYBRWDISA-N 2 0 370.459 3.604 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000514095304 945662109 /nfs/dbraw/zinc/66/21/09/945662109.db2.gz QPLDGEJZTUVFOJ-HWHRFOGPSA-N 3 0 355.570 3.881 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443987275 945691823 /nfs/dbraw/zinc/69/18/23/945691823.db2.gz XFZNRSIKJOTFLW-FQEVSTJZSA-N 2 0 372.484 3.945 20 0 FHADRP COc1ccc([C@H](C)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000507728121 945767218 /nfs/dbraw/zinc/76/72/18/945767218.db2.gz YDYIILUJQIOTPX-LJQANCHMSA-N 2 0 360.542 3.623 20 0 FHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651733531 945801933 /nfs/dbraw/zinc/80/19/33/945801933.db2.gz KURIHCZJODWZTM-OKZBNKHCSA-N 2 0 366.908 3.824 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700504 945922583 /nfs/dbraw/zinc/92/25/83/945922583.db2.gz FLBHWXAFKCYAEN-APWZRJJASA-N 2 0 369.509 3.953 20 0 FHADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167973101 945923791 /nfs/dbraw/zinc/92/37/91/945923791.db2.gz GPFFFEMMNCFNNE-IPQPSQTFSA-N 2 0 365.562 3.531 20 0 FHADRP C[C@@H]1C[C@@H](N2CC[NH+](C3CCCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051016 945968940 /nfs/dbraw/zinc/96/89/40/945968940.db2.gz FGQFLCOOOPBXQL-JHDGKUDLSA-N 2 0 355.570 3.988 20 0 FHADRP CCc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2ccccc2[nH+]1 ZINC000302063617 946103621 /nfs/dbraw/zinc/10/36/21/946103621.db2.gz UZGLTRWTTNEDCZ-HXUWFJFHSA-N 2 0 361.489 3.976 20 0 FHADRP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]c4ccc(C)cc34)cn2)CC1 ZINC000302157268 946150263 /nfs/dbraw/zinc/15/02/63/946150263.db2.gz NHARAYSJGDAWTC-UHFFFAOYSA-N 2 0 361.493 3.692 20 0 FHADRP Cc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1F ZINC000520206742 946268900 /nfs/dbraw/zinc/26/89/00/946268900.db2.gz HLTIYLLAUWGOMC-QFIPXVFZSA-N 2 0 355.501 3.603 20 0 FHADRP CN(C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000441145717 946272129 /nfs/dbraw/zinc/27/21/29/946272129.db2.gz IDTZTSXWROPWMX-FQEVSTJZSA-N 2 0 357.542 3.628 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000441317418 946429527 /nfs/dbraw/zinc/42/95/27/946429527.db2.gz XNMYJZAPMQXBFL-UHFFFAOYSA-N 2 0 372.557 3.916 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128980 946434820 /nfs/dbraw/zinc/43/48/20/946434820.db2.gz ICYGABYOTLUUKJ-GMAHTHKFSA-N 2 0 365.521 3.537 20 0 FHADRP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359556 946485301 /nfs/dbraw/zinc/48/53/01/946485301.db2.gz RRGXITAVODVJKX-FCHUYYIVSA-N 2 0 371.569 3.552 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000520363536 946499757 /nfs/dbraw/zinc/49/97/57/946499757.db2.gz MMFQAECVUTXMMS-OALUTQOASA-N 2 0 371.569 3.769 20 0 FHADRP C[C@@H]1CC(N(c2ccccn2)[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168057702 946588398 /nfs/dbraw/zinc/58/83/98/946588398.db2.gz NMMOCEIHVZQRQX-SFHLNBCPSA-N 2 0 364.537 3.692 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192683279 946608698 /nfs/dbraw/zinc/60/86/98/946608698.db2.gz IUKJBBBEAIIMAW-OAQYLSRUSA-N 2 0 353.510 3.584 20 0 FHADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000661775656 946617632 /nfs/dbraw/zinc/61/76/32/946617632.db2.gz UYKPUVICTKLAPA-PKTZIBPZSA-N 2 0 366.553 3.907 20 0 FHADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000661775654 946618125 /nfs/dbraw/zinc/61/81/25/946618125.db2.gz UYKPUVICTKLAPA-DHIUTWEWSA-N 2 0 366.553 3.907 20 0 FHADRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000112545895 946656218 /nfs/dbraw/zinc/65/62/18/946656218.db2.gz OBNMWGTVDLGRPQ-VXKWHMMOSA-N 2 0 365.521 3.625 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000536266525 946661154 /nfs/dbraw/zinc/66/11/54/946661154.db2.gz FEQFLCQUADHVFC-FSSWDIPSSA-N 2 0 365.521 3.631 20 0 FHADRP Clc1cc(CNC2CC([NH+]3CCCCC3)C2)cc2c1OCCCO2 ZINC000475566539 946679263 /nfs/dbraw/zinc/67/92/63/946679263.db2.gz ORQLHKISLMDVAN-UHFFFAOYSA-N 2 0 350.890 3.608 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C[C@H](C)O1 ZINC000544379668 946710911 /nfs/dbraw/zinc/71/09/11/946710911.db2.gz SNTKNIUSDSPDBU-SVMVAKDDSA-N 2 0 371.500 3.789 20 0 FHADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475283850 946822363 /nfs/dbraw/zinc/82/23/63/946822363.db2.gz WXKFBWAXKNEGIH-VRKFHHGPSA-N 2 0 358.526 3.610 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348724 946887917 /nfs/dbraw/zinc/88/79/17/946887917.db2.gz OURZYOLRTFVGCG-YQVWRLOYSA-N 2 0 363.571 3.909 20 0 FHADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995002 946892372 /nfs/dbraw/zinc/89/23/72/946892372.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 2 0 367.581 3.846 20 0 FHADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350358 946894898 /nfs/dbraw/zinc/89/48/98/946894898.db2.gz UMPZDEBXEFFIRW-ZWOKBUDYSA-N 2 0 366.933 3.846 20 0 FHADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)o2)cc1 ZINC000647978258 946939147 /nfs/dbraw/zinc/93/91/47/946939147.db2.gz OZLVKOLFLKDKDA-ROUUACIJSA-N 2 0 355.482 3.562 20 0 FHADRP C[C@@H]1CC(n2ccnc2[C@H]2CCC[NH2+]C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062687 946984040 /nfs/dbraw/zinc/98/40/40/946984040.db2.gz LQVQSFNSGRUDEE-GGPKGHCWSA-N 2 0 352.526 3.964 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192918530 947105838 /nfs/dbraw/zinc/10/58/38/947105838.db2.gz IICMEETVRSXQCO-UYAOXDASSA-N 2 0 351.494 3.515 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192935047 947116994 /nfs/dbraw/zinc/11/69/94/947116994.db2.gz CLAUGCXYCWCWNN-PXNSSMCTSA-N 2 0 351.494 3.818 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](C(C)(C)C)CC2)cc1)C1CC1 ZINC000523452075 947256782 /nfs/dbraw/zinc/25/67/82/947256782.db2.gz MZGDNIQCJNTAOH-UHFFFAOYSA-N 2 0 357.542 3.617 20 0 FHADRP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]c4cc(F)ccc34)cn2)CC1 ZINC000301288892 947268897 /nfs/dbraw/zinc/26/88/97/947268897.db2.gz SIZIXCHEECQHFM-UHFFFAOYSA-N 2 0 365.456 3.523 20 0 FHADRP Clc1ccc2nccc(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000301447200 947345742 /nfs/dbraw/zinc/34/57/42/947345742.db2.gz YSTJDWQCRJPATN-UHFFFAOYSA-N 2 0 359.901 3.969 20 0 FHADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000523853910 947655830 /nfs/dbraw/zinc/65/58/30/947655830.db2.gz ZSGGFGURPPMNHG-IBGZPJMESA-N 2 0 369.484 3.738 20 0 FHADRP CN(C(=O)CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000663283908 947658610 /nfs/dbraw/zinc/65/86/10/947658610.db2.gz OHCXTMOPHBPRJK-UHFFFAOYSA-N 2 0 365.521 3.815 20 0 FHADRP [NH3+]CCCOC1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000662247300 947671369 /nfs/dbraw/zinc/67/13/69/947671369.db2.gz FAAXFFYRPJVAOB-UHFFFAOYSA-N 2 0 367.287 3.525 20 0 FHADRP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662249292 947671504 /nfs/dbraw/zinc/67/15/04/947671504.db2.gz SNJOFGKDZPRLRM-NRFANRHFSA-N 2 0 352.478 3.687 20 0 FHADRP Fc1ccc(OC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c(F)c1 ZINC000662251604 947674270 /nfs/dbraw/zinc/67/42/70/947674270.db2.gz GHPOQIRPJLKNCJ-UHFFFAOYSA-N 2 0 358.432 3.654 20 0 FHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264584 947684480 /nfs/dbraw/zinc/68/44/80/947684480.db2.gz RIJUZZLELLXYAY-NVXWUHKLSA-N 2 0 357.523 3.632 20 0 FHADRP Cc1ncsc1CN(CCc1nsc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000662268403 947690426 /nfs/dbraw/zinc/69/04/26/947690426.db2.gz XVBNATOKYRIGHU-OAHLLOKOSA-N 2 0 372.563 3.715 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCSc2cccc(Cl)c2)C1 ZINC000662285147 947704092 /nfs/dbraw/zinc/70/40/92/947704092.db2.gz YBIOIWUZGBOZSB-KBAYOESNSA-N 2 0 354.947 3.793 20 0 FHADRP c1cnc2nc(C3CC[NH+](Cc4cccc5c4CC[NH2+]C5)CC3)ccc2c1 ZINC000662282494 947706264 /nfs/dbraw/zinc/70/62/64/947706264.db2.gz ANMUUWGWFJRJMJ-UHFFFAOYSA-N 2 0 358.489 3.655 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290231 947712211 /nfs/dbraw/zinc/71/22/11/947712211.db2.gz BKJFFRAGZWMLIZ-RDJZCZTQSA-N 2 0 363.933 3.687 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294026 947716316 /nfs/dbraw/zinc/71/63/16/947716316.db2.gz AEVSJKUWFJASEU-MJGOQNOKSA-N 2 0 357.542 3.849 20 0 FHADRP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295219 947716562 /nfs/dbraw/zinc/71/65/62/947716562.db2.gz GCMOZBQEYRORSF-AEFFLSMTSA-N 2 0 354.498 3.818 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1F ZINC000662297863 947719787 /nfs/dbraw/zinc/71/97/87/947719787.db2.gz SNIODUCQZDKQJJ-OAHLLOKOSA-N 2 0 367.896 3.519 20 0 FHADRP Cc1sc2nc([C@@H](C)N3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662298419 947721016 /nfs/dbraw/zinc/72/10/16/947721016.db2.gz WCANKADRPKGCQT-CJNGLKHVSA-N 2 0 374.554 3.786 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)n1 ZINC000662296102 947721282 /nfs/dbraw/zinc/72/12/82/947721282.db2.gz XUQIVZPOQCMQMT-NRFANRHFSA-N 2 0 352.526 3.701 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296012 947722460 /nfs/dbraw/zinc/72/24/60/947722460.db2.gz JVRNCTUSSNTEMS-YJBOKZPZSA-N 2 0 372.488 3.957 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297273 947724088 /nfs/dbraw/zinc/72/40/88/947724088.db2.gz OXZVURNODCHIOC-UTKZUKDTSA-N 2 0 371.569 3.850 20 0 FHADRP CC[C@@H](CC(F)F)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326828 947758550 /nfs/dbraw/zinc/75/85/50/947758550.db2.gz DBAMCZXAZIDHIU-AWEZNQCLSA-N 2 0 354.489 3.738 20 0 FHADRP Cc1cccc(C)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327697 947758658 /nfs/dbraw/zinc/75/86/58/947758658.db2.gz UDIXSBPKPZJRMR-UHFFFAOYSA-N 2 0 352.526 3.873 20 0 FHADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328550 947760198 /nfs/dbraw/zinc/76/01/98/947760198.db2.gz SMNAQRHBJWQQBA-JTSKRJEESA-N 2 0 374.573 3.651 20 0 FHADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327327 947760266 /nfs/dbraw/zinc/76/02/66/947760266.db2.gz NIZOOSIRJYYSCT-HNNXBMFYSA-N 2 0 356.489 3.956 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000662412008 947784185 /nfs/dbraw/zinc/78/41/85/947784185.db2.gz ZPTGDZJBPXCEKQ-IRLDBZIGSA-N 2 0 365.521 3.618 20 0 FHADRP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663343800 947806653 /nfs/dbraw/zinc/80/66/53/947806653.db2.gz FMBQFFMRZDJUNS-NRFANRHFSA-N 2 0 373.560 3.544 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345583 947813521 /nfs/dbraw/zinc/81/35/21/947813521.db2.gz LIAHKABJEWJZCL-HNNXBMFYSA-N 2 0 360.452 3.567 20 0 FHADRP CC(C)C[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)[NH2+][C@@H](C)c1ccccc1 ZINC000662454100 947824188 /nfs/dbraw/zinc/82/41/88/947824188.db2.gz IYISPTPLAHTPBO-FXAWDEMLSA-N 2 0 365.521 3.785 20 0 FHADRP CC(C)C[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)[NH2+][C@@H](C)c1ccccc1 ZINC000662454102 947824920 /nfs/dbraw/zinc/82/49/20/947824920.db2.gz IYISPTPLAHTPBO-PXNSSMCTSA-N 2 0 365.521 3.785 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000662467808 947832507 /nfs/dbraw/zinc/83/25/07/947832507.db2.gz GTTAFJLOLKQITI-JBACZVJFSA-N 2 0 359.558 3.509 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662463718 947835373 /nfs/dbraw/zinc/83/53/73/947835373.db2.gz GFQMIAPDVIALIC-NRFANRHFSA-N 2 0 371.569 3.649 20 0 FHADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000500442137 947878984 /nfs/dbraw/zinc/87/89/84/947878984.db2.gz SLARCJKRLXXKQQ-JOCHJYFZSA-N 2 0 368.521 3.504 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662598340 947923940 /nfs/dbraw/zinc/92/39/40/947923940.db2.gz UKTBATZZMKYMSC-QFIPXVFZSA-N 2 0 371.569 3.770 20 0 FHADRP C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467975 948054231 /nfs/dbraw/zinc/05/42/31/948054231.db2.gz JMTRFEYBLAGIEU-AJSBUHFISA-N 2 0 355.570 3.609 20 0 FHADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467347 948055610 /nfs/dbraw/zinc/05/56/10/948055610.db2.gz DYMNARWPHQKAQB-UZLBHIALSA-N 2 0 357.498 3.942 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000663466600 948058451 /nfs/dbraw/zinc/05/84/51/948058451.db2.gz VYPKOXUQDUSAOY-APWZRJJASA-N 2 0 360.542 3.655 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000663466603 948058677 /nfs/dbraw/zinc/05/86/77/948058677.db2.gz VYPKOXUQDUSAOY-VQIMIIECSA-N 2 0 360.542 3.655 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466783 948058830 /nfs/dbraw/zinc/05/88/30/948058830.db2.gz ACFHXXORCUQQTB-QUCCMNQESA-N 2 0 357.542 3.732 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467954 948060380 /nfs/dbraw/zinc/06/03/80/948060380.db2.gz IYGDNDIRDAHZJI-RDJZCZTQSA-N 2 0 355.526 3.689 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823893 948103070 /nfs/dbraw/zinc/10/30/70/948103070.db2.gz FTNMITVREVSBLO-OFNKIYASSA-N 2 0 371.569 3.934 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000663505285 948121414 /nfs/dbraw/zinc/12/14/14/948121414.db2.gz GVGLOIPORLETPT-MSOLQXFVSA-N 2 0 351.579 3.562 20 0 FHADRP CCOC[C@H]1COCCC12CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825386 948121744 /nfs/dbraw/zinc/12/17/44/948121744.db2.gz JZLSROPKMFJKJP-UXHICEINSA-N 2 0 354.579 3.652 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167825743 948126831 /nfs/dbraw/zinc/12/68/31/948126831.db2.gz SVLGUTNBHAQLGO-SESVDKBCSA-N 2 0 352.563 3.547 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001167826525 948131456 /nfs/dbraw/zinc/13/14/56/948131456.db2.gz PPYVPANOPWQJPO-GOSISDBHSA-N 2 0 358.526 3.997 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001167827684 948156458 /nfs/dbraw/zinc/15/64/58/948156458.db2.gz UTBBEEOTWWJOAV-PZJWPPBQSA-N 2 0 371.569 3.635 20 0 FHADRP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144075 948213687 /nfs/dbraw/zinc/21/36/87/948213687.db2.gz AXELSSGYJDIYMK-OALUTQOASA-N 2 0 362.477 3.567 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512024388 948214343 /nfs/dbraw/zinc/21/43/43/948214343.db2.gz MUSIKPULJUWVKU-ARJAWSKDSA-N 2 0 372.459 3.725 20 0 FHADRP CN(C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001168002129 948219760 /nfs/dbraw/zinc/21/97/60/948219760.db2.gz NAKFSBZXISZXJH-VDNRPAQBSA-N 2 0 367.581 3.988 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833705 948231897 /nfs/dbraw/zinc/23/18/97/948231897.db2.gz DKSZSKFDQABXPD-ROUUACIJSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001167834136 948248036 /nfs/dbraw/zinc/24/80/36/948248036.db2.gz HZTFYEUVXYJDDQ-QZTJIDSGSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001167835695 948297884 /nfs/dbraw/zinc/29/78/84/948297884.db2.gz SXEVVAGPZNTFSM-FPOVZHCZSA-N 2 0 360.542 3.952 20 0 FHADRP C[C@H]([NH2+]C1(CNc2[nH+]ccc3[nH]ccc32)CCOCC1)c1ccccc1 ZINC000663607229 948300781 /nfs/dbraw/zinc/30/07/81/948300781.db2.gz GFFKFHBTYHEZHF-INIZCTEOSA-N 2 0 350.466 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC[C@@H](COC(C)=O)C2)CC1 ZINC001167839850 948322880 /nfs/dbraw/zinc/32/28/80/948322880.db2.gz CJOLTKVRVSSQKU-AZUAARDMSA-N 2 0 352.563 3.942 20 0 FHADRP CCOC(=O)c1coc(C2CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC2)n1 ZINC001167840998 948346773 /nfs/dbraw/zinc/34/67/73/948346773.db2.gz JEJBBBZTZZRLNO-INIZCTEOSA-N 2 0 365.518 3.541 20 0 FHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422494 948382987 /nfs/dbraw/zinc/38/29/87/948382987.db2.gz FLMBBENYGSEZRO-KGLIPLIRSA-N 2 0 373.310 3.740 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422496 948383536 /nfs/dbraw/zinc/38/35/36/948383536.db2.gz FLMBBENYGSEZRO-UONOGXRCSA-N 2 0 373.310 3.740 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2c(Br)ccc(N)c2C1 ZINC001167842857 948396260 /nfs/dbraw/zinc/39/62/60/948396260.db2.gz ZHLXYYRSHBNPGS-CQSZACIVSA-N 2 0 368.363 3.900 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842956 948398652 /nfs/dbraw/zinc/39/86/52/948398652.db2.gz ZYLMYIQSVYXGNB-ZWKOTPCHSA-N 2 0 355.567 3.686 20 0 FHADRP C[C@H]1CC([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005700 948520366 /nfs/dbraw/zinc/52/03/66/948520366.db2.gz KDAOHRDZJJKSKL-PKNNTABCSA-N 2 0 368.565 3.957 20 0 FHADRP CC(C)(C)CCNC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536485985 948732526 /nfs/dbraw/zinc/73/25/26/948732526.db2.gz OLUZCCYTTCXORI-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019028 567901531 /nfs/dbraw/zinc/90/15/31/567901531.db2.gz DNPKYRFGSWBTBJ-FGZHOGPDSA-N 2 0 364.489 3.604 20 0 FHADRP CSC1(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667610 568014209 /nfs/dbraw/zinc/01/42/09/568014209.db2.gz QTFZORFPQHEUCS-CTNGQTDRSA-N 2 0 373.610 3.772 20 0 FHADRP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1)C1CCCCC1 ZINC000521428628 568020378 /nfs/dbraw/zinc/02/03/78/568020378.db2.gz LNEHUDUSZWPNHH-GOSISDBHSA-N 2 0 351.579 3.610 20 0 FHADRP Cc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C2CCC2)cc1 ZINC000187014888 568050666 /nfs/dbraw/zinc/05/06/66/568050666.db2.gz GSAISLRDHKVMEA-QHCPKHFHSA-N 2 0 364.537 3.773 20 0 FHADRP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000603694952 568136771 /nfs/dbraw/zinc/13/67/71/568136771.db2.gz OWVCNFOWLPFSBJ-FQEVSTJZSA-N 2 0 365.521 3.907 20 0 FHADRP COc1ccc(COCCN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000603711640 568137894 /nfs/dbraw/zinc/13/78/94/568137894.db2.gz DNZUUIOWOULHJD-FPOVZHCZSA-N 2 0 360.542 3.798 20 0 FHADRP Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Oc1ccncc1 ZINC000604220011 568230416 /nfs/dbraw/zinc/23/04/16/568230416.db2.gz GHGUATNJMFPSKQ-OALUTQOASA-N 2 0 351.450 3.539 20 0 FHADRP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Oc1ccncc1 ZINC000604220010 568230425 /nfs/dbraw/zinc/23/04/25/568230425.db2.gz GHGUATNJMFPSKQ-MOPGFXCFSA-N 2 0 351.450 3.539 20 0 FHADRP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000563135874 568274532 /nfs/dbraw/zinc/27/45/32/568274532.db2.gz VLNCUCRQCLVIJF-IAGOWNOFSA-N 2 0 357.523 3.640 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000563136352 568275619 /nfs/dbraw/zinc/27/56/19/568275619.db2.gz YRNUBTKYEQJSCW-QUCCMNQESA-N 2 0 360.885 3.928 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000604412792 568277636 /nfs/dbraw/zinc/27/76/36/568277636.db2.gz JELOFTIRXMREKH-JOCHJYFZSA-N 2 0 365.521 3.814 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821197040 599362868 /nfs/dbraw/zinc/36/28/68/599362868.db2.gz FDJQYCSYMXWCRG-MRXNPFEDSA-N 2 0 364.497 3.559 20 0 FHADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2[nH+]ccc4[nH]ccc42)C3)c1 ZINC001164995486 722193180 /nfs/dbraw/zinc/19/31/80/722193180.db2.gz VFFWJPZCVYGLKA-NRFANRHFSA-N 2 0 350.441 3.947 20 0 FHADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc4[nH]ccc4c[nH+]2)C3)c1 ZINC001164992876 722193901 /nfs/dbraw/zinc/19/39/01/722193901.db2.gz BRCXUGYLDPFGSV-OAQYLSRUSA-N 2 0 350.441 3.947 20 0 FHADRP [NH3+][C@H](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000237858598 936313612 /nfs/dbraw/zinc/31/36/12/936313612.db2.gz STWBCABIGOOZJL-UXHICEINSA-N 2 0 371.912 3.683 20 0 FHADRP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000414956339 945063132 /nfs/dbraw/zinc/06/31/32/945063132.db2.gz ABVZZSKKSHGACY-GOSISDBHSA-N 2 0 366.431 3.572 20 0 FHADRP CCc1nc(C)c([C@H](C)[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)s1 ZINC000162226024 936364081 /nfs/dbraw/zinc/36/40/81/936364081.db2.gz PYXWXTJEBDZANN-ZDUSSCGKSA-N 2 0 359.543 3.740 20 0 FHADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772246 945069378 /nfs/dbraw/zinc/06/93/78/945069378.db2.gz UJZOIQUFTMNKBF-TZIWHRDSSA-N 2 0 371.569 3.668 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131514 937153281 /nfs/dbraw/zinc/15/32/81/937153281.db2.gz PVQOVNJIXDWLOG-PKOBYXMFSA-N 2 0 357.523 3.528 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C5(CCC5)C4)[C@H]3C2)cc1 ZINC000643547355 927460162 /nfs/dbraw/zinc/46/01/62/927460162.db2.gz DIDOTDPGGIPIGE-LRSLUSHPSA-N 2 0 353.554 3.551 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(Cl)cn1 ZINC000274745162 927796077 /nfs/dbraw/zinc/79/60/77/927796077.db2.gz AUBVOACEIYYSTA-HNNXBMFYSA-N 2 0 359.901 3.543 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510078210 927823655 /nfs/dbraw/zinc/82/36/55/927823655.db2.gz YIHRZOJGNAFPDL-PMACEKPBSA-N 2 0 359.558 3.570 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083448 927937119 /nfs/dbraw/zinc/93/71/19/927937119.db2.gz UKZBLGIBRWEUTC-NHCUHLMSSA-N 2 0 371.569 3.668 20 0 FHADRP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261820502 937224569 /nfs/dbraw/zinc/22/45/69/937224569.db2.gz WQKHNBVHPGDRKC-PBWFPOADSA-N 2 0 356.297 3.537 20 0 FHADRP CCC1CCC([N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2CC2)CC1 ZINC001167070147 928197447 /nfs/dbraw/zinc/19/74/47/928197447.db2.gz DDNPLOBSIGTXNE-ZOGYUUGASA-N 2 0 371.569 3.839 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170473 928457785 /nfs/dbraw/zinc/45/77/85/928457785.db2.gz FGJBNJGFXOAVHK-XJKSGUPXSA-N 2 0 370.324 3.786 20 0 FHADRP COc1ccc(Br)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000583290409 937322892 /nfs/dbraw/zinc/32/28/92/937322892.db2.gz VDZBRDVRPLAOCN-HNNXBMFYSA-N 2 0 367.331 3.621 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180130881 929385879 /nfs/dbraw/zinc/38/58/79/929385879.db2.gz FOERNXIGPXJDOR-UWJYYQICSA-N 2 0 358.505 3.893 20 0 FHADRP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209159477 929386877 /nfs/dbraw/zinc/38/68/77/929386877.db2.gz UICJOEWHNSBFLQ-SFTDATJTSA-N 2 0 358.526 3.562 20 0 FHADRP COc1ccc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1O ZINC000092405315 937326823 /nfs/dbraw/zinc/32/68/23/937326823.db2.gz RBRQKBOYLAONPC-UHFFFAOYSA-N 2 0 370.493 3.507 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000537949741 929395761 /nfs/dbraw/zinc/39/57/61/929395761.db2.gz SVYLUAMGFFBGJZ-WBMJQRKESA-N 2 0 359.739 3.965 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180440974 929512266 /nfs/dbraw/zinc/51/22/66/929512266.db2.gz AJPAYVDKMOVQEG-FPOVZHCZSA-N 2 0 363.615 3.667 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)c1 ZINC000584048046 929666769 /nfs/dbraw/zinc/66/67/69/929666769.db2.gz APEDVRNUGJYDPC-UHFFFAOYSA-N 2 0 357.473 3.704 20 0 FHADRP Cc1cccn2cc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc12 ZINC000683690845 929807029 /nfs/dbraw/zinc/80/70/29/929807029.db2.gz QQEJZHUZOOYCDV-NUNAXRQHSA-N 2 0 374.532 3.970 20 0 FHADRP O[C@H](CCc1ccccc1)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691395 929808044 /nfs/dbraw/zinc/80/80/44/929808044.db2.gz CCGXLKLCEAIWMP-UEQSERJNSA-N 2 0 364.533 3.765 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000162924151 937375992 /nfs/dbraw/zinc/37/59/92/937375992.db2.gz HJRFRNJPFWMBPK-SSOJOUAXSA-N 2 0 356.535 3.871 20 0 FHADRP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000150933417 937379825 /nfs/dbraw/zinc/37/98/25/937379825.db2.gz ICLYGZZFORPMKH-QUCCMNQESA-N 2 0 361.599 3.981 20 0 FHADRP CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000150933473 937379862 /nfs/dbraw/zinc/37/98/62/937379862.db2.gz ICLYGZZFORPMKH-ICSRJNTNSA-N 2 0 361.599 3.981 20 0 FHADRP COc1ccc([C@@H](CC(C)C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000647288389 937389255 /nfs/dbraw/zinc/38/92/55/937389255.db2.gz BKRXTSLSEXWMRS-DENIHFKCSA-N 2 0 359.558 3.541 20 0 FHADRP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152351004 930263466 /nfs/dbraw/zinc/26/34/66/930263466.db2.gz YPKIGDSJJYXWIX-LJQANCHMSA-N 2 0 365.521 3.956 20 0 FHADRP C[C@H]([NH2+][C@H]1CSc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000683824208 930308529 /nfs/dbraw/zinc/30/85/29/930308529.db2.gz HBRTYHWVJLEPLH-NHYWBVRUSA-N 2 0 355.345 3.916 20 0 FHADRP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000580311251 930472678 /nfs/dbraw/zinc/47/26/78/930472678.db2.gz CMLWIZQHPMMLMU-QGZVFWFLSA-N 2 0 357.523 3.640 20 0 FHADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548084213 930568139 /nfs/dbraw/zinc/56/81/39/930568139.db2.gz UTHJFPONGJMTEN-SFHVURJKSA-N 2 0 357.542 3.523 20 0 FHADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)c1 ZINC000119041975 930575687 /nfs/dbraw/zinc/57/56/87/930575687.db2.gz HBWFKDJVBIFNQS-SFHVURJKSA-N 2 0 374.916 3.883 20 0 FHADRP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001167393473 930627517 /nfs/dbraw/zinc/62/75/17/930627517.db2.gz TXJHSXZUHCXIEK-VQIMIIECSA-N 2 0 356.514 3.626 20 0 FHADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1csc(Cl)c1Cl ZINC000580636287 930954018 /nfs/dbraw/zinc/95/40/18/930954018.db2.gz JNXYBZCVXXGPTC-UHFFFAOYSA-N 2 0 352.375 3.760 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000047978543 930967725 /nfs/dbraw/zinc/96/77/25/930967725.db2.gz YAKXOUUFIANWLZ-UHFFFAOYSA-N 2 0 357.498 3.904 20 0 FHADRP COc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)[NH+]2CCCCC2)cc1 ZINC000580768066 931129829 /nfs/dbraw/zinc/12/98/29/931129829.db2.gz LKRRPLCWTILADQ-VJBWXMMDSA-N 2 0 365.521 3.957 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000580836773 931249789 /nfs/dbraw/zinc/24/97/89/931249789.db2.gz KETKJVATPBMOKQ-QZTJIDSGSA-N 2 0 357.542 3.823 20 0 FHADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000261710874 931259471 /nfs/dbraw/zinc/25/94/71/931259471.db2.gz LAVQCMNILZIYDO-UHFFFAOYSA-N 2 0 358.313 3.644 20 0 FHADRP c1ccc(C[C@@H]2CC[N@H+]2C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326246 /nfs/dbraw/zinc/32/62/46/931326246.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 0 350.506 3.595 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000684112989 931354183 /nfs/dbraw/zinc/35/41/83/931354183.db2.gz LJARGFUKOOOTOK-BHDDXSALSA-N 2 0 366.553 3.948 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC2CCOCC2)cc1 ZINC000656405105 931593131 /nfs/dbraw/zinc/59/31/31/931593131.db2.gz HVLYXXDRNISQBD-AFXVXQJMSA-N 2 0 354.538 3.646 20 0 FHADRP c1ncc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)s1 ZINC000656407196 931603196 /nfs/dbraw/zinc/60/31/96/931603196.db2.gz RASLDCXDNNYIKD-WJMWBRGCSA-N 2 0 353.535 3.528 20 0 FHADRP CC(C)(C)OC(=O)CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000581280376 931778860 /nfs/dbraw/zinc/77/88/60/931778860.db2.gz AJZOGRZJZHVFLW-LEWJYISDSA-N 2 0 372.553 3.952 20 0 FHADRP CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167454296 931830848 /nfs/dbraw/zinc/83/08/48/931830848.db2.gz SDGVYXKBPFJLAC-QFIPXVFZSA-N 2 0 371.569 3.684 20 0 FHADRP CC[NH2+]CC1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000430560609 931846533 /nfs/dbraw/zinc/84/65/33/931846533.db2.gz WRTQHABPAYQRCQ-UHFFFAOYSA-N 2 0 368.403 3.577 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560405 931847015 /nfs/dbraw/zinc/84/70/15/931847015.db2.gz WATUCEBMGVBNLB-FFZOFVMBSA-N 2 0 362.477 3.885 20 0 FHADRP [NH3+]CCCOC1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430560345 931853452 /nfs/dbraw/zinc/85/34/52/931853452.db2.gz ZJEIRIVWKBKJNL-UHFFFAOYSA-N 2 0 370.493 3.688 20 0 FHADRP CCOc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCO2 ZINC000656550856 932059501 /nfs/dbraw/zinc/05/95/01/932059501.db2.gz LLOQPOJCNQFEEL-FQEVSTJZSA-N 2 0 353.466 3.563 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000581489262 932161607 /nfs/dbraw/zinc/16/16/07/932161607.db2.gz SKYRWIXFOFLSSX-HDICACEKSA-N 2 0 372.944 3.633 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000656784478 932419175 /nfs/dbraw/zinc/41/91/75/932419175.db2.gz DMTIUNFKQSXMMR-INIZCTEOSA-N 2 0 354.441 3.508 20 0 FHADRP CCOc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1OC(F)F ZINC000656783894 932419906 /nfs/dbraw/zinc/41/99/06/932419906.db2.gz BAWFJBDKNJNREX-INIZCTEOSA-N 2 0 368.468 3.898 20 0 FHADRP COc1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785544 932420811 /nfs/dbraw/zinc/42/08/11/932420811.db2.gz LTVDOSWBLAQXAC-HNNXBMFYSA-N 2 0 354.441 3.508 20 0 FHADRP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C4CCC4)CC3)CC23CC3)cc1 ZINC000647176314 932589887 /nfs/dbraw/zinc/58/98/87/932589887.db2.gz BNXXDWQHCDXJEU-NRFANRHFSA-N 2 0 353.554 3.790 20 0 FHADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cc1 ZINC000581825464 932688515 /nfs/dbraw/zinc/68/85/15/932688515.db2.gz ZQWSNXAZHGYUTF-QFIPXVFZSA-N 2 0 365.521 3.908 20 0 FHADRP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CN1C(=O)OC(C)(C)C ZINC000399117613 933010884 /nfs/dbraw/zinc/01/08/84/933010884.db2.gz GLIOOYSTDOJXMS-KZNAEPCWSA-N 2 0 353.551 3.629 20 0 FHADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000430721003 933170617 /nfs/dbraw/zinc/17/06/17/933170617.db2.gz APADZUOTYUNFIB-YJMBLLCNSA-N 2 0 371.569 3.796 20 0 FHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000510554180 933220776 /nfs/dbraw/zinc/22/07/76/933220776.db2.gz XLEUQTKIPNUTQO-WMQCIHAUSA-N 2 0 357.542 3.509 20 0 FHADRP CC1=C(c2ccco2)C[N@H+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000510619982 933302301 /nfs/dbraw/zinc/30/23/01/933302301.db2.gz PRDVMZBKIHXZOL-UHFFFAOYSA-N 2 0 365.521 3.971 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000430931470 933427056 /nfs/dbraw/zinc/42/70/56/933427056.db2.gz DIFOMKPRZYBQGU-LBPRGKRZSA-N 2 0 368.403 3.748 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430956421 933485037 /nfs/dbraw/zinc/48/50/37/933485037.db2.gz OKOKJAVLEHIOFQ-SJORKVTESA-N 2 0 367.493 3.865 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430967560 933527440 /nfs/dbraw/zinc/52/74/40/933527440.db2.gz TWZMHSFAYDJIJO-QGZVFWFLSA-N 2 0 367.493 3.867 20 0 FHADRP CCOc1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000431011370 933647166 /nfs/dbraw/zinc/64/71/66/933647166.db2.gz ACEUEPHCKMZZTE-UHFFFAOYSA-N 2 0 357.523 3.784 20 0 FHADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431029040 933702843 /nfs/dbraw/zinc/70/28/43/933702843.db2.gz XECBYZUIXDZRQL-SFHVURJKSA-N 2 0 363.505 3.756 20 0 FHADRP CCN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431034025 933717793 /nfs/dbraw/zinc/71/77/93/933717793.db2.gz MAFAUXFOIGPJEO-PSBKLILYSA-N 2 0 371.569 3.696 20 0 FHADRP CCC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000548442397 933792271 /nfs/dbraw/zinc/79/22/71/933792271.db2.gz YOTOVSLIDIBFLU-RTWAWAEBSA-N 2 0 353.510 3.537 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823460 933815211 /nfs/dbraw/zinc/81/52/11/933815211.db2.gz BNHCLXUOVNWRQD-RTBURBONSA-N 2 0 359.558 3.910 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000510837400 933833837 /nfs/dbraw/zinc/83/38/37/933833837.db2.gz LCBDVLCPYICHAP-QZTJIDSGSA-N 2 0 357.542 3.664 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000548449487 933895510 /nfs/dbraw/zinc/89/55/10/933895510.db2.gz JMENDGFONIYMKI-ZWKOTPCHSA-N 2 0 359.558 3.844 20 0 FHADRP C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000684558540 933899784 /nfs/dbraw/zinc/89/97/84/933899784.db2.gz JTKQWWHJOCIHJJ-BZNIZROVSA-N 2 0 364.839 3.712 20 0 FHADRP CCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1OC(F)F ZINC000092380982 934031803 /nfs/dbraw/zinc/03/18/03/934031803.db2.gz RZIJRMOAZKEENR-UHFFFAOYSA-N 2 0 356.457 3.850 20 0 FHADRP CC(C)Cc1ncc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000092587605 934099984 /nfs/dbraw/zinc/09/99/84/934099984.db2.gz LTECFIRILHFQSF-CALCHBBNSA-N 2 0 365.587 3.663 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247548698 934158472 /nfs/dbraw/zinc/15/84/72/934158472.db2.gz SAWLTONGZPUEAP-HCXYKTFWSA-N 2 0 357.542 3.590 20 0 FHADRP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1OCC[NH+](C)C ZINC000458193486 934365310 /nfs/dbraw/zinc/36/53/10/934365310.db2.gz IVMSKPTYPVAFSE-GOSISDBHSA-N 2 0 373.541 3.529 20 0 FHADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000277124747 934537951 /nfs/dbraw/zinc/53/79/51/934537951.db2.gz IBJKITICPQOZHT-CQSZACIVSA-N 2 0 358.313 3.738 20 0 FHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1Oc1ccccc1 ZINC000182967715 934656894 /nfs/dbraw/zinc/65/68/94/934656894.db2.gz YYGVEXVDBRIWKE-UHFFFAOYSA-N 2 0 353.510 3.548 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000236728128 934768732 /nfs/dbraw/zinc/76/87/32/934768732.db2.gz GIPWWGIFQBBLGQ-FRIKZZABSA-N 2 0 371.569 3.846 20 0 FHADRP C[C@H]([NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000154006889 934832164 /nfs/dbraw/zinc/83/21/64/934832164.db2.gz JXOVXXAXQIAWTE-HTAPYJJXSA-N 2 0 362.521 3.983 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000472042427 934879218 /nfs/dbraw/zinc/87/92/18/934879218.db2.gz DHXRFZAAZPTCHP-UHFFFAOYSA-N 2 0 363.440 3.539 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590732 934879750 /nfs/dbraw/zinc/87/97/50/934879750.db2.gz MAZRFBUVRHIZKX-HUUCEWRRSA-N 2 0 351.332 3.943 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000531062915 934987276 /nfs/dbraw/zinc/98/72/76/934987276.db2.gz QTIZHJGASOSDCU-YOEHRIQHSA-N 2 0 373.463 3.545 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cc1 ZINC000537969298 934993049 /nfs/dbraw/zinc/99/30/49/934993049.db2.gz SVJWVGSTOOAZCM-OAGGEKHMSA-N 2 0 369.347 3.989 20 0 FHADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657299023 935008624 /nfs/dbraw/zinc/00/86/24/935008624.db2.gz ZDQJXPHZPPPKIP-HSZRJFAPSA-N 2 0 366.505 3.740 20 0 FHADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC000439909352 945071791 /nfs/dbraw/zinc/07/17/91/945071791.db2.gz FNOPMGMFXJZGLK-PZJWPPBQSA-N 2 0 372.557 3.703 20 0 FHADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472109959 935053372 /nfs/dbraw/zinc/05/33/72/935053372.db2.gz FXADVXDDOAXTDH-TZIWHRDSSA-N 2 0 374.573 3.585 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000071954570 935079164 /nfs/dbraw/zinc/07/91/64/935079164.db2.gz JLYKKNHIDSHJQC-LJQANCHMSA-N 2 0 373.585 3.870 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000657310732 935092008 /nfs/dbraw/zinc/09/20/08/935092008.db2.gz RUEQFSAYVXHJMA-GOSISDBHSA-N 2 0 352.526 3.957 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657314227 935128738 /nfs/dbraw/zinc/12/87/38/935128738.db2.gz YMLOBJKSZTVTIU-WOIUINJBSA-N 2 0 360.542 3.702 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1 ZINC000657315069 935144882 /nfs/dbraw/zinc/14/48/82/935144882.db2.gz HKXMXNGLNWHBNR-UHFFFAOYSA-N 2 0 358.457 3.597 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657315338 935154287 /nfs/dbraw/zinc/15/42/87/935154287.db2.gz QTKIVFBCCBOOGG-HSZRJFAPSA-N 2 0 368.521 3.986 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000582050972 935177360 /nfs/dbraw/zinc/17/73/60/935177360.db2.gz SOCCRGYWWJMISX-QFBILLFUSA-N 2 0 372.538 3.672 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(N2CCOC2=O)c1 ZINC000157851336 935211669 /nfs/dbraw/zinc/21/16/69/935211669.db2.gz HPVGKFOVAHSSJZ-ROUUACIJSA-N 2 0 359.514 3.948 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000582092360 935242755 /nfs/dbraw/zinc/24/27/55/935242755.db2.gz NOHDQMZYPSFJBX-KRWDZBQOSA-N 2 0 373.491 3.920 20 0 FHADRP COCc1csc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000657338601 935272505 /nfs/dbraw/zinc/27/25/05/935272505.db2.gz QKFIVQKXEUCNTC-UHFFFAOYSA-N 2 0 350.553 3.958 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947601 935309198 /nfs/dbraw/zinc/30/91/98/935309198.db2.gz FDVKYYJFNGQWFK-HCXYKTFWSA-N 2 0 365.562 3.629 20 0 FHADRP CC[C@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000563276492 935378740 /nfs/dbraw/zinc/37/87/40/935378740.db2.gz ZCQJNPOUUZNLGO-KRWDZBQOSA-N 2 0 360.420 3.737 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657414895 935630404 /nfs/dbraw/zinc/63/04/04/935630404.db2.gz FWIDCIAHAZYKBW-WIYYLYMNSA-N 2 0 352.526 3.683 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000582414397 935670877 /nfs/dbraw/zinc/67/08/77/935670877.db2.gz GQMIQXUEYMJIOS-YCRPNKLZSA-N 2 0 372.944 3.990 20 0 FHADRP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C)c1 ZINC000657428788 935703368 /nfs/dbraw/zinc/70/33/68/935703368.db2.gz BCUIHHISVKWRFP-QFIPXVFZSA-N 2 0 368.521 3.640 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000657431336 935715515 /nfs/dbraw/zinc/71/55/15/935715515.db2.gz ZWKMHSZZRSROPC-CMKODMSKSA-N 2 0 360.542 3.843 20 0 FHADRP CCOc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000582514072 935786215 /nfs/dbraw/zinc/78/62/15/935786215.db2.gz JFIYBQKTPLQNGR-MRXNPFEDSA-N 2 0 368.468 3.850 20 0 FHADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000159305926 935832265 /nfs/dbraw/zinc/83/22/65/935832265.db2.gz WCJWZQYPZOWRNK-LJQANCHMSA-N 2 0 353.510 3.804 20 0 FHADRP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000657495980 935874416 /nfs/dbraw/zinc/87/44/16/935874416.db2.gz LETBDBCYNJBBPL-PGRDOPGGSA-N 2 0 371.569 3.832 20 0 FHADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000051793731 935881821 /nfs/dbraw/zinc/88/18/21/935881821.db2.gz KOUGANHDSPQBHH-HXUWFJFHSA-N 2 0 352.469 3.586 20 0 FHADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000158650081 935884888 /nfs/dbraw/zinc/88/48/88/935884888.db2.gz QJCLUKTTZGZWFJ-KURKYZTESA-N 2 0 359.514 3.662 20 0 FHADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC000657505244 935887401 /nfs/dbraw/zinc/88/74/01/935887401.db2.gz WNVFISQWERRLHU-GLRZTSSQSA-N 2 0 360.448 3.974 20 0 FHADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684955799 935901523 /nfs/dbraw/zinc/90/15/23/935901523.db2.gz SYBQTHIARGPTDI-NRFANRHFSA-N 2 0 351.494 3.723 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)CCC2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000237400965 935972101 /nfs/dbraw/zinc/97/21/01/935972101.db2.gz FOKVSIKDHHYXNR-GOSISDBHSA-N 2 0 357.542 3.546 20 0 FHADRP C[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000657535594 935975719 /nfs/dbraw/zinc/97/57/19/935975719.db2.gz PORUPDIYGCPGIV-MRXNPFEDSA-N 2 0 350.934 3.924 20 0 FHADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000657537234 935975920 /nfs/dbraw/zinc/97/59/20/935975920.db2.gz DSAOFZXGJSOLBG-UHFFFAOYSA-N 2 0 360.542 3.764 20 0 FHADRP Clc1cccc(Cl)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536908 935976494 /nfs/dbraw/zinc/97/64/94/935976494.db2.gz TZFUNTOIHODQSU-UHFFFAOYSA-N 2 0 357.325 3.974 20 0 FHADRP FC(F)(F)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537556 935977171 /nfs/dbraw/zinc/97/71/71/935977171.db2.gz OUWJHAYOHRVHAD-UHFFFAOYSA-N 2 0 362.461 3.748 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C)nc3ccccc23)CC1 ZINC000075007699 936002900 /nfs/dbraw/zinc/00/29/00/936002900.db2.gz RCIPUTJUKDQPPP-UHFFFAOYSA-N 2 0 355.526 3.866 20 0 FHADRP CCSc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657597021 936072863 /nfs/dbraw/zinc/07/28/63/936072863.db2.gz QRWDLYWYVFHWKV-HXUWFJFHSA-N 2 0 356.535 3.655 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237475581 936074975 /nfs/dbraw/zinc/07/49/75/936074975.db2.gz URIJDAVWTNCGSG-WOIUINJBSA-N 2 0 371.569 3.561 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)oc4ccccc43)cc2)C1 ZINC000657594880 936075942 /nfs/dbraw/zinc/07/59/42/936075942.db2.gz FDXUOBVLJYGTSF-KRWDZBQOSA-N 2 0 370.880 3.943 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000657594914 936075962 /nfs/dbraw/zinc/07/59/62/936075962.db2.gz KZXFAPILIUMUBV-GOSISDBHSA-N 2 0 365.304 3.850 20 0 FHADRP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000657612957 936093775 /nfs/dbraw/zinc/09/37/75/936093775.db2.gz GTYPLDILUWLOGH-UPHRSURJSA-N 2 0 357.448 3.875 20 0 FHADRP c1c2ccncc2sc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613195 936093810 /nfs/dbraw/zinc/09/38/10/936093810.db2.gz HZTAGFHXFOTFJL-UHFFFAOYSA-N 2 0 352.507 3.693 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237667571 936195651 /nfs/dbraw/zinc/19/56/51/936195651.db2.gz VJHYCRNUXPKLAH-WOJBJXKFSA-N 2 0 371.569 3.705 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000090853073 936270700 /nfs/dbraw/zinc/27/07/00/936270700.db2.gz TUKVALARKUKQAL-FASAQXTFSA-N 2 0 353.913 3.544 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899175 936271127 /nfs/dbraw/zinc/27/11/27/936271127.db2.gz AJTLXIFXQSAXNO-LYZACZEUSA-N 2 0 366.505 3.519 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000519601242 945159725 /nfs/dbraw/zinc/15/97/25/945159725.db2.gz FVNAEFVEKODEFA-LJQANCHMSA-N 2 0 371.569 3.613 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)C(C)C)cn2)CC1 ZINC000427621381 938250197 /nfs/dbraw/zinc/25/01/97/938250197.db2.gz NGEUDQIAMXWYDK-QFIPXVFZSA-N 2 0 366.553 3.580 20 0 FHADRP Fc1cccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]2CCCO2)c1 ZINC000583446057 938256289 /nfs/dbraw/zinc/25/62/89/938256289.db2.gz MGPGVUIQTMOSRP-QFIPXVFZSA-N 2 0 354.469 3.653 20 0 FHADRP COc1ccc2cc([C@H](C)[NH2+]C3CCN(CC[NH+](C)C)CC3)ccc2c1 ZINC000150998089 938259523 /nfs/dbraw/zinc/25/95/23/938259523.db2.gz QIECVYVWINBDSY-KRWDZBQOSA-N 2 0 355.526 3.525 20 0 FHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150996079 938261404 /nfs/dbraw/zinc/26/14/04/938261404.db2.gz IQCXLHPYXTVKNU-QGZVFWFLSA-N 2 0 370.006 3.826 20 0 FHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000150996259 938261642 /nfs/dbraw/zinc/26/16/42/938261642.db2.gz XGPDAKGVXZPJLC-FCHUYYIVSA-N 2 0 371.569 3.654 20 0 FHADRP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706353 938285833 /nfs/dbraw/zinc/28/58/33/938285833.db2.gz JCBXYCGDSLZROL-NUTKFTJISA-N 2 0 373.324 3.720 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706770 938286748 /nfs/dbraw/zinc/28/67/48/938286748.db2.gz RWMISOSQFSGIGH-NSHGMRRFSA-N 2 0 371.550 3.837 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000650708349 938288278 /nfs/dbraw/zinc/28/82/78/938288278.db2.gz YFQAZXPSSSVRAP-CPUCHLNUSA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707178 938289132 /nfs/dbraw/zinc/28/91/32/938289132.db2.gz ZZQWVGHWNVABSF-VBQJREDUSA-N 2 0 374.859 3.660 20 0 FHADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC(F)F ZINC000650718750 938306482 /nfs/dbraw/zinc/30/64/82/938306482.db2.gz VXLPRHIHMIAYOZ-UHFFFAOYSA-N 2 0 354.372 3.574 20 0 FHADRP Cn1cnc2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCC4)ccc21 ZINC000657771811 938309743 /nfs/dbraw/zinc/30/97/43/938309743.db2.gz GNFAJBVCSJNEBS-OAQYLSRUSA-N 2 0 374.532 3.965 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722798 938309921 /nfs/dbraw/zinc/30/99/21/938309921.db2.gz BKYCVQXTPCKKFL-NEWSRXKRSA-N 2 0 357.523 3.671 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000650723136 938310245 /nfs/dbraw/zinc/31/02/45/938310245.db2.gz HVSVSHARNSLRLK-KBAYOESNSA-N 2 0 367.331 3.618 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723396 938310695 /nfs/dbraw/zinc/31/06/95/938310695.db2.gz NHVMIVMVIIALSK-NZSAHSFTSA-N 2 0 357.523 3.671 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCc2c(F)cccc2Cl)C1 ZINC000650723521 938310797 /nfs/dbraw/zinc/31/07/97/938310797.db2.gz PNRBQSFRBBXMOG-NIKGAXFTSA-N 2 0 354.897 3.773 20 0 FHADRP c1ccc(C[NH+]2C[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C3(CCC3)C2)cc1 ZINC000657774170 938317314 /nfs/dbraw/zinc/31/73/14/938317314.db2.gz XLPDKZXOVZQQTJ-FDFHNCONSA-N 2 0 353.554 3.505 20 0 FHADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151089092 938341432 /nfs/dbraw/zinc/34/14/32/938341432.db2.gz ADWYRKPTZYJAIG-OFNKIYASSA-N 2 0 373.585 3.758 20 0 FHADRP CSc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCC2 ZINC000647304187 938359977 /nfs/dbraw/zinc/35/99/77/938359977.db2.gz ZSCQRZVNSJCYNI-HXUWFJFHSA-N 2 0 371.550 3.911 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000583761688 938395117 /nfs/dbraw/zinc/39/51/17/938395117.db2.gz ZHSQJXSRJNYFLZ-IBGZPJMESA-N 2 0 365.949 3.523 20 0 FHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1 ZINC000583775925 938401651 /nfs/dbraw/zinc/40/16/51/938401651.db2.gz JTHAWBQKPYYYEP-QGZVFWFLSA-N 2 0 357.498 3.660 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278423785 938410283 /nfs/dbraw/zinc/41/02/83/938410283.db2.gz IUDWTBDHQVJHCZ-INIZCTEOSA-N 2 0 358.530 3.742 20 0 FHADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000151141463 938411172 /nfs/dbraw/zinc/41/11/72/938411172.db2.gz RBYWUWSMQCVKDU-INIZCTEOSA-N 2 0 367.940 3.765 20 0 FHADRP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCN(CC3CCCC3)C1)CC2 ZINC000151165735 938438392 /nfs/dbraw/zinc/43/83/92/938438392.db2.gz KIUGNOIXLLMIFZ-FVRICEFQSA-N 2 0 367.537 3.673 20 0 FHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583865959 938459106 /nfs/dbraw/zinc/45/91/06/938459106.db2.gz YYSISCBMQXYMTE-VQPPSCEASA-N 2 0 368.525 3.853 20 0 FHADRP FC(F)(F)COc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657811494 938504004 /nfs/dbraw/zinc/50/40/04/938504004.db2.gz DTIMYWRXHXUJBJ-UHFFFAOYSA-N 2 0 356.432 3.839 20 0 FHADRP Fc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1OCC(F)(F)F ZINC000657812839 938524648 /nfs/dbraw/zinc/52/46/48/938524648.db2.gz GZLCSSAQWJXOIO-UHFFFAOYSA-N 2 0 374.422 3.978 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151392927 938538846 /nfs/dbraw/zinc/53/88/46/938538846.db2.gz FYAHCVKGJVWFDI-CTNGQTDRSA-N 2 0 362.583 3.789 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000132972097 938552026 /nfs/dbraw/zinc/55/20/26/938552026.db2.gz VFLLELHICZDUDZ-ZACQAIPSSA-N 2 0 373.566 3.879 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133039698 938556229 /nfs/dbraw/zinc/55/62/29/938556229.db2.gz KPWPEIMXWYNVCD-CABCVRRESA-N 2 0 356.432 3.857 20 0 FHADRP Cc1csc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279657732 938640413 /nfs/dbraw/zinc/64/04/13/938640413.db2.gz LIHKZYAIUVNXIP-GOSISDBHSA-N 2 0 355.979 3.559 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000657837163 938669544 /nfs/dbraw/zinc/66/95/44/938669544.db2.gz QXZVYBMTZHIBHC-CVDCTZTESA-N 2 0 374.569 3.982 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)ccn1 ZINC000090937165 938879412 /nfs/dbraw/zinc/87/94/12/938879412.db2.gz IIDPRGATZVAPIH-IBGZPJMESA-N 2 0 359.901 3.843 20 0 FHADRP C[NH+](C)CC1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000090706982 938881827 /nfs/dbraw/zinc/88/18/27/938881827.db2.gz WKFUBYTULFVILM-UHFFFAOYSA-N 2 0 355.526 3.529 20 0 FHADRP COc1ccccc1[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000091285097 938899133 /nfs/dbraw/zinc/89/91/33/938899133.db2.gz JFTYZFREVOWTRN-JOCHJYFZSA-N 2 0 359.558 3.544 20 0 FHADRP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000091308799 938899843 /nfs/dbraw/zinc/89/98/43/938899843.db2.gz UPNMGNJUBHHMPW-QHCPKHFHSA-N 2 0 366.553 3.971 20 0 FHADRP CC(C)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091333423 938900269 /nfs/dbraw/zinc/90/02/69/938900269.db2.gz IVGWPHGNKRMPKX-CRAIPNDOSA-N 2 0 357.464 3.628 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000708545988 938913508 /nfs/dbraw/zinc/91/35/08/938913508.db2.gz WFVKGCKFHPQVAU-PXNSSMCTSA-N 2 0 354.494 3.562 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCSCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657872568 938953316 /nfs/dbraw/zinc/95/33/16/938953316.db2.gz OCCSADQBKQWDDX-DOTOQJQBSA-N 2 0 351.535 3.514 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000657872075 938955144 /nfs/dbraw/zinc/95/51/44/938955144.db2.gz XZUYKIFOUVRMAJ-YLJYHZDGSA-N 2 0 351.966 3.524 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000431565474 938973945 /nfs/dbraw/zinc/97/39/45/938973945.db2.gz PSUXCAJSNARABH-FGZHOGPDSA-N 2 0 365.521 3.633 20 0 FHADRP C[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000685424674 938985675 /nfs/dbraw/zinc/98/56/75/938985675.db2.gz FCYPFQQNJBQMGC-MAUKXSAKSA-N 2 0 369.475 3.567 20 0 FHADRP C[N@H+](Cc1cccc(OC2CCCC2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457332 938987893 /nfs/dbraw/zinc/98/78/93/938987893.db2.gz APUIZYRJNFCAHM-OAQYLSRUSA-N 2 0 371.569 3.608 20 0 FHADRP Cc1ccc(-c2ccc(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000685457788 938987988 /nfs/dbraw/zinc/98/79/88/938987988.db2.gz NRZACBWGGHSHGP-OAQYLSRUSA-N 2 0 367.537 3.855 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000657890874 938988078 /nfs/dbraw/zinc/98/80/78/938988078.db2.gz SPDZWTILLROXRN-FQEVSTJZSA-N 2 0 350.466 3.733 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000657905480 938995563 /nfs/dbraw/zinc/99/55/63/938995563.db2.gz LBNQMNPOCUBOFW-GOSISDBHSA-N 2 0 372.475 3.851 20 0 FHADRP Cc1cccc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1Cl ZINC001279670817 938997804 /nfs/dbraw/zinc/99/78/04/938997804.db2.gz FCSFKLBAYVVEBH-UHFFFAOYSA-N 2 0 363.977 3.888 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925460 939007762 /nfs/dbraw/zinc/00/77/62/939007762.db2.gz NVGIBTCUKGELEX-BMGDILEWSA-N 2 0 359.539 3.715 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000650862320 939007783 /nfs/dbraw/zinc/00/77/83/939007783.db2.gz XGSHKYFZQMDJQO-QFIPXVFZSA-N 2 0 369.509 3.516 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657930186 939008948 /nfs/dbraw/zinc/00/89/48/939008948.db2.gz BJXKRMULAPBJQI-VJBMBRPKSA-N 2 0 374.569 3.708 20 0 FHADRP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1cncn1C ZINC000657982042 939016062 /nfs/dbraw/zinc/01/60/62/939016062.db2.gz LHNKYZFRDSJAEB-KRWDZBQOSA-N 2 0 350.304 3.582 20 0 FHADRP C[C@@H](Cn1cncn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658004092 939018461 /nfs/dbraw/zinc/01/84/61/939018461.db2.gz BKHOLUIZYCSXNG-PXWCZTGZSA-N 2 0 373.932 3.524 20 0 FHADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658028324 939018647 /nfs/dbraw/zinc/01/86/47/939018647.db2.gz CEDMBYVEPYFSRD-CSNJMZFVSA-N 2 0 351.332 3.985 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658019638 939018921 /nfs/dbraw/zinc/01/89/21/939018921.db2.gz UAADBRZXUIOVBU-GOTSBHOMSA-N 2 0 374.569 3.710 20 0 FHADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658069534 939021847 /nfs/dbraw/zinc/02/18/47/939021847.db2.gz GUBBWJRYMXFSHD-QGZVFWFLSA-N 2 0 368.443 3.572 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134705 939030117 /nfs/dbraw/zinc/03/01/17/939030117.db2.gz BGCWJKQOFRIQNA-GEALJGNFSA-N 2 0 356.535 3.597 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000658134707 939030247 /nfs/dbraw/zinc/03/02/47/939030247.db2.gz BGCWJKQOFRIQNA-JOCLIGHLSA-N 2 0 356.535 3.597 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142145 939035387 /nfs/dbraw/zinc/03/53/87/939035387.db2.gz VBRKOFRAQOQURA-XMSQKQJNSA-N 2 0 352.522 3.709 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141274 939035421 /nfs/dbraw/zinc/03/54/21/939035421.db2.gz SKTBIFSBCSDIKZ-KDOFPFPSSA-N 2 0 362.876 3.897 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137169 939040471 /nfs/dbraw/zinc/04/04/71/939040471.db2.gz JHVYIPCEPPNIIN-YADHBBJMSA-N 2 0 354.469 3.633 20 0 FHADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140276 939044142 /nfs/dbraw/zinc/04/41/42/939044142.db2.gz PKHCIWWVGCGPOB-GCJKJVERSA-N 2 0 368.521 3.893 20 0 FHADRP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)CCCC[NH3+])cc3)nc12 ZINC000415008697 945222993 /nfs/dbraw/zinc/22/29/93/945222993.db2.gz DKEOFRWZBKUINH-GOSISDBHSA-N 2 0 366.509 3.829 20 0 FHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163942 939052127 /nfs/dbraw/zinc/05/21/27/939052127.db2.gz CAXBUYUSLJOIHZ-FQEVSTJZSA-N 2 0 369.484 3.718 20 0 FHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000658163755 939052362 /nfs/dbraw/zinc/05/23/62/939052362.db2.gz ASRQBQLXJQVNLR-JOCHJYFZSA-N 2 0 351.494 3.579 20 0 FHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000658164758 939052597 /nfs/dbraw/zinc/05/25/97/939052597.db2.gz FHQCIFNQKPDVLB-HSZRJFAPSA-N 2 0 365.521 3.969 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cnn1C(C)(C)C ZINC000658165756 939053086 /nfs/dbraw/zinc/05/30/86/939053086.db2.gz LJMFOZJMSAKRNL-QGZVFWFLSA-N 2 0 369.557 3.904 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1N(C)C ZINC000658166690 939053652 /nfs/dbraw/zinc/05/36/52/939053652.db2.gz OAGSFWYSOGUUDC-QGZVFWFLSA-N 2 0 370.516 3.850 20 0 FHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)ccc1F ZINC000658166281 939054189 /nfs/dbraw/zinc/05/41/89/939054189.db2.gz NNNDIDJGPNWMEE-MRXNPFEDSA-N 2 0 357.473 3.792 20 0 FHADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000658167218 939054936 /nfs/dbraw/zinc/05/49/36/939054936.db2.gz QSVWNZNDLITMOX-NRFANRHFSA-N 2 0 373.928 3.924 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)C1 ZINC000658237705 939079119 /nfs/dbraw/zinc/07/91/19/939079119.db2.gz YXSOHXRLQMDMMK-IVOMFYJKSA-N 2 0 358.574 3.764 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nsc3ccccc23)[C@@H](C)C1 ZINC000658318861 939110489 /nfs/dbraw/zinc/11/04/89/939110489.db2.gz TURNBKNTDTUTIY-FUHWJXTLSA-N 2 0 361.555 3.565 20 0 FHADRP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320430 939111163 /nfs/dbraw/zinc/11/11/63/939111163.db2.gz XUNGJNDJXBQMFS-CTNGQTDRSA-N 2 0 352.526 3.554 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cncc(Br)c1 ZINC000658352359 939123873 /nfs/dbraw/zinc/12/38/73/939123873.db2.gz FLIYNGJIOWULBL-CYBMUJFWSA-N 2 0 352.320 3.617 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000658356713 939125260 /nfs/dbraw/zinc/12/52/60/939125260.db2.gz OUWCGQJVXGERJO-MRXNPFEDSA-N 2 0 370.541 3.743 20 0 FHADRP COc1cc(F)c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658358071 939125458 /nfs/dbraw/zinc/12/54/58/939125458.db2.gz YFFFONHJSPEHIC-AWEZNQCLSA-N 2 0 350.478 3.616 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000519228274 945233456 /nfs/dbraw/zinc/23/34/56/945233456.db2.gz CZSGVNBAXCGGJV-LJQANCHMSA-N 2 0 371.569 3.798 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000427276400 945245911 /nfs/dbraw/zinc/24/59/11/945245911.db2.gz WNYYBYZAIGAILQ-LJQANCHMSA-N 2 0 359.558 3.705 20 0 FHADRP CCCCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C)n1 ZINC000507497020 945268687 /nfs/dbraw/zinc/26/86/87/945268687.db2.gz QKJYPFNPMHYXGN-MDNUFGMLSA-N 2 0 366.553 3.992 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)Cc2ccccc2)CC1 ZINC000685745669 939890622 /nfs/dbraw/zinc/89/06/22/939890622.db2.gz LKTLKBSHYQUMKN-JOCHJYFZSA-N 2 0 373.585 3.868 20 0 FHADRP Fc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000506042000 945281333 /nfs/dbraw/zinc/28/13/33/945281333.db2.gz NAMIQKGRHVJTPA-UHFFFAOYSA-N 2 0 371.500 3.698 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628277852 940148029 /nfs/dbraw/zinc/14/80/29/940148029.db2.gz MMXXKCKDUSODSQ-FQEVSTJZSA-N 2 0 373.585 3.659 20 0 FHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991809 945311459 /nfs/dbraw/zinc/31/14/59/945311459.db2.gz XTDCFNMHQCUAFU-FGZHOGPDSA-N 2 0 372.553 3.607 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000544301938 945312557 /nfs/dbraw/zinc/31/25/57/945312557.db2.gz LDPKMEBMQGRBCO-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC[C@H]1[NH3+] ZINC000647497710 940376484 /nfs/dbraw/zinc/37/64/84/940376484.db2.gz SGGHXWZCHOPZAH-YLJYHZDGSA-N 2 0 360.933 3.761 20 0 FHADRP CC[C@H]1C[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC[C@@H]1[NH3+] ZINC000647497728 940376825 /nfs/dbraw/zinc/37/68/25/940376825.db2.gz SVIQGNVNKBFOPM-FPOVZHCZSA-N 2 0 353.510 3.837 20 0 FHADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(-c2ccnn2C)c1 ZINC000548980922 940415167 /nfs/dbraw/zinc/41/51/67/940415167.db2.gz WCSGONMLIDFJFP-UHFFFAOYSA-N 2 0 366.484 3.886 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000685840032 940430490 /nfs/dbraw/zinc/43/04/90/940430490.db2.gz CETRSYGZXAKAPT-UHFFFAOYSA-N 2 0 350.865 3.752 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)C1 ZINC000685840047 940430607 /nfs/dbraw/zinc/43/06/07/940430607.db2.gz IQKNDFRFJUYNTI-CALCHBBNSA-N 2 0 363.509 3.677 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414053379 940457872 /nfs/dbraw/zinc/45/78/72/940457872.db2.gz ATOSSDMLNMURMR-NRSPTQNISA-N 2 0 363.977 3.838 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414065586 940473879 /nfs/dbraw/zinc/47/38/79/940473879.db2.gz GBCDDFKNCSVIAW-MSOLQXFVSA-N 2 0 372.582 3.734 20 0 FHADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1(C)C ZINC000414069977 940476431 /nfs/dbraw/zinc/47/64/31/940476431.db2.gz AIGRLZNXZQSDJE-SFTDATJTSA-N 2 0 374.569 3.715 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070060 940476504 /nfs/dbraw/zinc/47/65/04/940476504.db2.gz RZHBXJSWDRDZED-FPOVZHCZSA-N 2 0 363.977 3.983 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCOc2ccc3ccccc3c2)cc1 ZINC000613259832 940494903 /nfs/dbraw/zinc/49/49/03/940494903.db2.gz JROBSHQXQYKIEM-UHFFFAOYSA-N 2 0 364.489 3.949 20 0 FHADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000613273901 940499249 /nfs/dbraw/zinc/49/92/49/940499249.db2.gz XCVPFXXHCWDUIM-KNQAVFIVSA-N 2 0 360.542 3.846 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000652139046 945331530 /nfs/dbraw/zinc/33/15/30/945331530.db2.gz ZRQMMUUXKXCJQB-VXKWHMMOSA-N 2 0 358.574 3.565 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]CCc2cn(C)cn2)c2ccc(F)cc2)CC1 ZINC000414129428 940635543 /nfs/dbraw/zinc/63/55/43/940635543.db2.gz UZSWEBJGAQFTLJ-QFIPXVFZSA-N 2 0 372.532 3.945 20 0 FHADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1(C)C ZINC000414132682 940641221 /nfs/dbraw/zinc/64/12/21/940641221.db2.gz ZNDRYNHWHAIBHQ-RTWAWAEBSA-N 2 0 374.569 3.715 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414130792 940643849 /nfs/dbraw/zinc/64/38/49/940643849.db2.gz WWHXHZHRKCPOGR-RLLQIKCJSA-N 2 0 350.934 3.803 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000414172450 940708680 /nfs/dbraw/zinc/70/86/80/940708680.db2.gz FERHPQIPOJCDBH-KGLIPLIRSA-N 2 0 355.320 3.840 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000414172449 940708712 /nfs/dbraw/zinc/70/87/12/940708712.db2.gz FERHPQIPOJCDBH-KBPBESRZSA-N 2 0 355.320 3.840 20 0 FHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000414173068 940709258 /nfs/dbraw/zinc/70/92/58/940709258.db2.gz FKCXKVNKZWLMMS-NSISKUIASA-N 2 0 350.934 3.752 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414174679 940711859 /nfs/dbraw/zinc/71/18/59/940711859.db2.gz GSHVLWKSKZULMU-UGKGYDQZSA-N 2 0 353.510 3.696 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189911 940737426 /nfs/dbraw/zinc/73/74/26/940737426.db2.gz RNEVGFAUCDKVKM-ZBFHGGJFSA-N 2 0 361.921 3.612 20 0 FHADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000170756394 940810029 /nfs/dbraw/zinc/81/00/29/940810029.db2.gz UBWZDHHNSNRULT-OAQYLSRUSA-N 2 0 374.573 3.585 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000414240709 940821292 /nfs/dbraw/zinc/82/12/92/940821292.db2.gz FBRCUJGMXIQUMG-GMQQQROESA-N 2 0 374.573 3.613 20 0 FHADRP CCc1nc(C)c([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414308483 940936820 /nfs/dbraw/zinc/93/68/20/940936820.db2.gz QKXJMRDOVIRKBW-INIZCTEOSA-N 2 0 373.566 3.692 20 0 FHADRP Cc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1C(F)(F)F ZINC000414315870 940953930 /nfs/dbraw/zinc/95/39/30/940953930.db2.gz GXZLKHIVPGCAAS-UHFFFAOYSA-N 2 0 369.475 3.662 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC1([NH3+])CCCC1)C1CCCCC1 ZINC000658981388 940968331 /nfs/dbraw/zinc/96/83/31/940968331.db2.gz CDPFPEJNHQNACP-UHFFFAOYSA-N 2 0 358.530 3.844 20 0 FHADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414326421 940980712 /nfs/dbraw/zinc/98/07/12/940980712.db2.gz ANOFECPCAJNLSC-MHMIHQHRSA-N 2 0 356.554 3.818 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCNc4ccccc43)cc2)CC1 ZINC000186406730 940997144 /nfs/dbraw/zinc/99/71/44/940997144.db2.gz UVPAZTBUGHXYGQ-QHCPKHFHSA-N 2 0 365.521 3.680 20 0 FHADRP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc(OC(F)(F)F)c1 ZINC001143471174 941002136 /nfs/dbraw/zinc/00/21/36/941002136.db2.gz HDXAKAIXVZWRLE-UHFFFAOYSA-N 2 0 365.399 3.919 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000511507707 941029093 /nfs/dbraw/zinc/02/90/93/941029093.db2.gz RGMNCHQFTFYDSL-UHFFFAOYSA-N 2 0 352.526 3.974 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000134392583 941064726 /nfs/dbraw/zinc/06/47/26/941064726.db2.gz BZHJDPXUTOWEHK-NVXWUHKLSA-N 2 0 357.325 3.807 20 0 FHADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000685928196 941085497 /nfs/dbraw/zinc/08/54/97/941085497.db2.gz ARBXWNCNMDLVCH-MOPGFXCFSA-N 2 0 374.573 3.589 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000511509670 941090314 /nfs/dbraw/zinc/09/03/14/941090314.db2.gz YDPHYMUQKNUGMK-UHFFFAOYSA-N 2 0 359.558 3.958 20 0 FHADRP CSc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000647582135 941094819 /nfs/dbraw/zinc/09/48/19/941094819.db2.gz IZQWYRRTBWTTEX-HXUWFJFHSA-N 2 0 371.550 3.503 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163789536 941098298 /nfs/dbraw/zinc/09/82/98/941098298.db2.gz CSJHCRIOAHBBRQ-GOSISDBHSA-N 2 0 363.509 3.960 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000163579439 941130132 /nfs/dbraw/zinc/13/01/32/941130132.db2.gz IWGRTJAFSQYOAU-GOSISDBHSA-N 2 0 363.509 3.960 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000163589913 941139569 /nfs/dbraw/zinc/13/95/69/941139569.db2.gz UWMQXQBICAATQH-XDHUDOTRSA-N 2 0 350.572 3.833 20 0 FHADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000311200884 941139801 /nfs/dbraw/zinc/13/98/01/941139801.db2.gz HUGIXKCOFRRVGM-INIZCTEOSA-N 2 0 355.567 3.922 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000659286949 941147550 /nfs/dbraw/zinc/14/75/50/941147550.db2.gz UBHILLCREKCJID-VGOFRKELSA-N 2 0 363.505 3.563 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425044966 941269926 /nfs/dbraw/zinc/26/99/26/941269926.db2.gz SHROIUVBDNWDHU-CQSZACIVSA-N 2 0 364.559 3.503 20 0 FHADRP COc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180141459 941352941 /nfs/dbraw/zinc/35/29/41/941352941.db2.gz YGSGSXBTDGDBOV-VYTWWXLVSA-N 2 0 366.505 3.514 20 0 FHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000376831970 941443543 /nfs/dbraw/zinc/44/35/43/941443543.db2.gz TZKRUWQUAXXDPV-MOPGFXCFSA-N 2 0 370.459 3.641 20 0 FHADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000376841157 941447874 /nfs/dbraw/zinc/44/78/74/941447874.db2.gz GKCHFCJXHMKGIE-GIYDNNGJSA-N 2 0 371.525 3.914 20 0 FHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000376901029 941459305 /nfs/dbraw/zinc/45/93/05/941459305.db2.gz CCYAVDFNQFGKOU-RBUKOAKNSA-N 2 0 370.459 3.907 20 0 FHADRP OC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076717 941513022 /nfs/dbraw/zinc/51/30/22/941513022.db2.gz HRPYJKHMLLADMF-GUJLLPCUSA-N 2 0 362.517 3.993 20 0 FHADRP OC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000377076716 941513194 /nfs/dbraw/zinc/51/31/94/941513194.db2.gz HRPYJKHMLLADMF-DCIKREJASA-N 2 0 362.517 3.993 20 0 FHADRP CC(C)(C)OC(=O)NCC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000377156469 941533302 /nfs/dbraw/zinc/53/33/02/941533302.db2.gz CBMGRPRPARRNQX-UHFFFAOYSA-N 2 0 365.562 3.676 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000415015996 941542759 /nfs/dbraw/zinc/54/27/59/941542759.db2.gz OSFOSFYQUQPWSW-HNNXBMFYSA-N 2 0 368.363 3.521 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000415033775 941557530 /nfs/dbraw/zinc/55/75/30/941557530.db2.gz JIPCLFAKZXRZRS-NVXWUHKLSA-N 2 0 352.507 3.818 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415037850 941558656 /nfs/dbraw/zinc/55/86/56/941558656.db2.gz MQLDQQBEUGMQSW-UYAOXDASSA-N 2 0 354.494 3.881 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000415040756 941561087 /nfs/dbraw/zinc/56/10/87/941561087.db2.gz PIEFNBCNHWBRNE-KOLCDFICSA-N 2 0 367.209 3.565 20 0 FHADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047571 941565037 /nfs/dbraw/zinc/56/50/37/941565037.db2.gz DXXWYCAVBKISHA-VMVNJLDWSA-N 2 0 361.961 3.782 20 0 FHADRP CC(C)(C)[C@H](C[NH3+])NCc1ccc(OC(F)F)c(Br)c1 ZINC000415052939 941568194 /nfs/dbraw/zinc/56/81/94/941568194.db2.gz JDGVUAVGLVHISV-LBPRGKRZSA-N 2 0 351.235 3.514 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057105 941576555 /nfs/dbraw/zinc/57/65/55/941576555.db2.gz TYUCSSMVVXVHJU-NQIIRXRSSA-N 2 0 352.526 3.960 20 0 FHADRP COc1cccc(C([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c2cccc(OC)c2)c1 ZINC000415074692 941586407 /nfs/dbraw/zinc/58/64/07/941586407.db2.gz ABFRAYKCOIFEGT-IAGOWNOFSA-N 2 0 354.494 3.771 20 0 FHADRP COc1cccc([C@H]([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086390 941595317 /nfs/dbraw/zinc/59/53/17/941595317.db2.gz RNXITXQPZCRKML-WCJKSRRJSA-N 2 0 372.484 3.910 20 0 FHADRP C[C@@]1(C[NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)CC[NH2+]C1 ZINC000415093252 941602043 /nfs/dbraw/zinc/60/20/43/941602043.db2.gz UWPGBAMCOXOFSF-QGZVFWFLSA-N 2 0 357.325 3.631 20 0 FHADRP C[C@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000415108858 941610179 /nfs/dbraw/zinc/61/01/79/941610179.db2.gz PHNBUYWMMDOGHW-JKSUJKDBSA-N 2 0 369.475 3.648 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C(F)(F)F ZINC000415119540 941615137 /nfs/dbraw/zinc/61/51/37/941615137.db2.gz FPVVOEKOGAMRHU-SJLPKXTDSA-N 2 0 356.432 3.732 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120394 941616414 /nfs/dbraw/zinc/61/64/14/941616414.db2.gz FWNJRNGLKSXXTP-TZIWHRDSSA-N 2 0 358.457 3.804 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000415120074 941616927 /nfs/dbraw/zinc/61/69/27/941616927.db2.gz FWNJRNGLKSXXTP-FPOVZHCZSA-N 2 0 358.457 3.804 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000415119939 941617229 /nfs/dbraw/zinc/61/72/29/941617229.db2.gz FNUKTJDPAFZCHC-DOTOQJQBSA-N 2 0 374.859 3.660 20 0 FHADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415123171 941618572 /nfs/dbraw/zinc/61/85/72/941618572.db2.gz AFEAOKQOORXSKD-PMACEKPBSA-N 2 0 351.538 3.762 20 0 FHADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415125334 941619979 /nfs/dbraw/zinc/61/99/79/941619979.db2.gz DHAHMVJEKWLSET-INIZCTEOSA-N 2 0 357.464 3.691 20 0 FHADRP NC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415125373 941620042 /nfs/dbraw/zinc/62/00/42/941620042.db2.gz DQEXMXJCAWCPOM-UHFFFAOYSA-N 2 0 361.892 3.562 20 0 FHADRP C[C@H]1C[C@H](C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000415124759 941620573 /nfs/dbraw/zinc/62/05/73/941620573.db2.gz RMBDXWSCTUGOJG-LSDHHAIUSA-N 2 0 370.368 3.936 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134857 941621830 /nfs/dbraw/zinc/62/18/30/941621830.db2.gz WHBPJZWFZRAFEH-LPHOPBHVSA-N 2 0 372.484 3.830 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127763 941622622 /nfs/dbraw/zinc/62/26/22/941622622.db2.gz RETYMQSTSPJLGY-BEFAXECRSA-N 2 0 354.897 3.630 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)C1 ZINC000415128621 941622738 /nfs/dbraw/zinc/62/27/38/941622738.db2.gz SOOBBAMDHJEXPS-WMLDXEAASA-N 2 0 374.859 3.660 20 0 FHADRP NC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415131913 941624503 /nfs/dbraw/zinc/62/45/03/941624503.db2.gz KEYMHOQYZWLLJF-XZOQPEGZSA-N 2 0 363.549 3.906 20 0 FHADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137327 941625812 /nfs/dbraw/zinc/62/58/12/941625812.db2.gz SXVMWGZVIFGWLT-LJQANCHMSA-N 2 0 369.528 3.730 20 0 FHADRP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CCCC[NH+]1C ZINC000472736293 941655225 /nfs/dbraw/zinc/65/52/25/941655225.db2.gz IKZQGQVJEHKPQW-HXUWFJFHSA-N 2 0 358.505 3.955 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000549230417 941682393 /nfs/dbraw/zinc/68/23/93/941682393.db2.gz CQBSHIAQKCRHNA-OAQYLSRUSA-N 2 0 357.542 3.523 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc21 ZINC000549236903 941689664 /nfs/dbraw/zinc/68/96/64/941689664.db2.gz HRIDIFJBUIYJCV-UXHICEINSA-N 2 0 358.526 3.880 20 0 FHADRP CCCC[NH+]1CCC([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000695273807 941811140 /nfs/dbraw/zinc/81/11/40/941811140.db2.gz OQLRPAZJSNSJDE-UHFFFAOYSA-N 2 0 367.578 3.878 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1Cl ZINC000513336905 941859748 /nfs/dbraw/zinc/85/97/48/941859748.db2.gz XUWLDBUFBWWMDS-HZPDHXFCSA-N 2 0 366.933 3.670 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000647803195 941866798 /nfs/dbraw/zinc/86/67/98/941866798.db2.gz MBNKFOHVGDJNQH-INIZCTEOSA-N 2 0 372.534 3.712 20 0 FHADRP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c(C)n1 ZINC000893019508 941894513 /nfs/dbraw/zinc/89/45/13/941894513.db2.gz UETMZRILJLWUNM-UHFFFAOYSA-N 2 0 352.482 3.726 20 0 FHADRP c1cn(-c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)cn1 ZINC000513425709 941914610 /nfs/dbraw/zinc/91/46/10/941914610.db2.gz ZNGPJDYWONNZHO-OAQYLSRUSA-N 2 0 352.526 3.960 20 0 FHADRP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)cn1 ZINC000513425706 941914695 /nfs/dbraw/zinc/91/46/95/941914695.db2.gz ZNGPJDYWONNZHO-NRFANRHFSA-N 2 0 352.526 3.960 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659862943 941954314 /nfs/dbraw/zinc/95/43/14/941954314.db2.gz GDSMTEWHIOGCNR-VWPQPMDRSA-N 2 0 355.570 3.597 20 0 FHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000377807178 942004908 /nfs/dbraw/zinc/00/49/08/942004908.db2.gz OCSKFBTUFGLTNC-LJQANCHMSA-N 2 0 366.553 3.836 20 0 FHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000893114142 942063050 /nfs/dbraw/zinc/06/30/50/942063050.db2.gz RXVMNHCBVYRMRB-LCUANKKMSA-N 2 0 364.480 3.568 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000415907073 942135251 /nfs/dbraw/zinc/13/52/51/942135251.db2.gz ZORYZZHLDYNDAY-UHFFFAOYSA-N 2 0 358.530 3.574 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000415914221 942136554 /nfs/dbraw/zinc/13/65/54/942136554.db2.gz VJDQVEWZRXJFSQ-GOSISDBHSA-N 2 0 358.530 3.526 20 0 FHADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000513691106 942140938 /nfs/dbraw/zinc/14/09/38/942140938.db2.gz QZBDVTVZGFHHPJ-QRVBRYPASA-N 2 0 353.510 3.850 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415916584 942142351 /nfs/dbraw/zinc/14/23/51/942142351.db2.gz HOGKEFBBWPXGMQ-PKOBYXMFSA-N 2 0 358.530 3.524 20 0 FHADRP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1)C1CCCCC1 ZINC000651219637 942153374 /nfs/dbraw/zinc/15/33/74/942153374.db2.gz CNJZRIVMSAVQAQ-QUCCMNQESA-N 2 0 366.594 3.545 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000415934314 942160183 /nfs/dbraw/zinc/16/01/83/942160183.db2.gz PMZGQFZGOUAADJ-QZTJIDSGSA-N 2 0 360.546 3.676 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000415931350 942166523 /nfs/dbraw/zinc/16/65/23/942166523.db2.gz KVNQUWWCJASRAF-OAQYLSRUSA-N 2 0 366.509 3.755 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000501991171 942167745 /nfs/dbraw/zinc/16/77/45/942167745.db2.gz VPNAINMLNNVJSW-NRSPTQNISA-N 2 0 359.558 3.570 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000415955500 942196825 /nfs/dbraw/zinc/19/68/25/942196825.db2.gz NBWSOCOPFLOIOB-UYAOXDASSA-N 2 0 360.546 3.818 20 0 FHADRP CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[NH+](C)C)cc1 ZINC000415963063 942202042 /nfs/dbraw/zinc/20/20/42/942202042.db2.gz UTWUSIXVGPBNPK-OAQYLSRUSA-N 2 0 368.525 3.768 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000415970485 942216174 /nfs/dbraw/zinc/21/61/74/942216174.db2.gz IFFXQOCSTVRLMU-OAQYLSRUSA-N 2 0 366.509 3.673 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415982314 942225641 /nfs/dbraw/zinc/22/56/41/942225641.db2.gz KUGIOCGRCYFUFT-ZWKOTPCHSA-N 2 0 366.509 3.533 20 0 FHADRP [NH3+]Cc1cc(NC(=O)NCCC[NH+]2CCCCCC2)cc(C(F)(F)F)c1 ZINC000415974705 942226916 /nfs/dbraw/zinc/22/69/16/942226916.db2.gz RUBUFQJEHUXAQW-UHFFFAOYSA-N 2 0 372.435 3.552 20 0 FHADRP [NH3+]Cc1cc(NC(=O)NCCC[NH2+]C2CCCCC2)cc(C(F)(F)F)c1 ZINC000415976402 942227707 /nfs/dbraw/zinc/22/77/07/942227707.db2.gz VOTHVXWYQJTBBU-UHFFFAOYSA-N 2 0 372.435 3.598 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000415987047 942228901 /nfs/dbraw/zinc/22/89/01/942228901.db2.gz WGTWPVXWVQVCBF-SFHVURJKSA-N 2 0 372.557 3.914 20 0 FHADRP Oc1ccc(C2=CC[N@H+](Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000420906805 942248189 /nfs/dbraw/zinc/24/81/89/942248189.db2.gz TXSOLZYPJGCPNE-UHFFFAOYSA-N 2 0 364.489 3.514 20 0 FHADRP C[N@@H+](Cc1ccn(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501070561 942289045 /nfs/dbraw/zinc/28/90/45/942289045.db2.gz SFSYRRMJGJFVOX-UHFFFAOYSA-N 2 0 361.493 3.616 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)C[C@@H](C)O1 ZINC000502270109 942322028 /nfs/dbraw/zinc/32/20/28/942322028.db2.gz QLFONQXJQZYZSH-WOIUINJBSA-N 2 0 372.553 3.735 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1)C1CCOCC1 ZINC000502272460 942324527 /nfs/dbraw/zinc/32/45/27/942324527.db2.gz HQGBDGONKABYAQ-WWPVKYPJSA-N 2 0 372.553 3.845 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](CCSC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000501154890 942328458 /nfs/dbraw/zinc/32/84/58/942328458.db2.gz QYKZJJOPJMXIRQ-QZTJIDSGSA-N 2 0 354.604 3.874 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000502293280 942336188 /nfs/dbraw/zinc/33/61/88/942336188.db2.gz ZWDAAUYRAGSERC-OXQOHEQNSA-N 2 0 350.547 3.899 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1)C1CC1 ZINC000416095451 942337218 /nfs/dbraw/zinc/33/72/18/942337218.db2.gz BYCMUHVOMVFMGS-UHFFFAOYSA-N 2 0 357.542 3.617 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000378183672 942370071 /nfs/dbraw/zinc/37/00/71/942370071.db2.gz JKJCOJMRSZMWMZ-KCUHQSDYSA-N 2 0 366.933 3.507 20 0 FHADRP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713562 942430608 /nfs/dbraw/zinc/43/06/08/942430608.db2.gz QCTMBTTYFQVFMG-JKLQHZFJSA-N 2 0 371.569 3.572 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000502416171 942432421 /nfs/dbraw/zinc/43/24/21/942432421.db2.gz ORPGQNPPBJLBQQ-RTBURBONSA-N 2 0 362.558 3.901 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)(N2CCCCC2)CC1 ZINC000501447831 942483160 /nfs/dbraw/zinc/48/31/60/942483160.db2.gz ACIYSQCHSHYHAV-IRLDBZIGSA-N 2 0 370.585 3.648 20 0 FHADRP CCCN1C[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000421355780 942505472 /nfs/dbraw/zinc/50/54/72/942505472.db2.gz VCKRWFFXZPDZLO-KRWDZBQOSA-N 2 0 351.579 3.514 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(-c2ccncc2)cc1 ZINC000647909551 942508611 /nfs/dbraw/zinc/50/86/11/942508611.db2.gz WRJLSESKDCKJCB-KRWDZBQOSA-N 2 0 353.510 3.635 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(C)nc(C)c2)CC1 ZINC000421370811 942520793 /nfs/dbraw/zinc/52/07/93/942520793.db2.gz DBWWRQCDBKDPRL-UHFFFAOYSA-N 2 0 352.526 3.520 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1Cl ZINC000421379177 942528589 /nfs/dbraw/zinc/52/85/89/942528589.db2.gz WKQAUCAANRCUNU-UQPPLGOBSA-N 2 0 351.922 3.828 20 0 FHADRP CC(C)[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000502564096 942544821 /nfs/dbraw/zinc/54/48/21/942544821.db2.gz TYJZMAPSQXLNML-IFMALSPDSA-N 2 0 371.500 3.532 20 0 FHADRP FC(F)Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843518 942574741 /nfs/dbraw/zinc/57/47/41/942574741.db2.gz QCEOPPXSTHBLMB-NSHDSACASA-N 2 0 363.246 3.530 20 0 FHADRP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420300084 942611373 /nfs/dbraw/zinc/61/13/73/942611373.db2.gz HBBFRHQSQKXZOW-UZUQRXQVSA-N 2 0 366.505 3.651 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000420307098 942612735 /nfs/dbraw/zinc/61/27/35/942612735.db2.gz QYYKXZVKKYMSCM-ZWJSTQBLSA-N 2 0 363.590 3.560 20 0 FHADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420307582 942613065 /nfs/dbraw/zinc/61/30/65/942613065.db2.gz RLRQBWOXDTYIQN-CQSZACIVSA-N 2 0 367.896 3.519 20 0 FHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311743 942615376 /nfs/dbraw/zinc/61/53/76/942615376.db2.gz RJWWBFKMRNGWBU-SNRMKQJTSA-N 2 0 356.901 3.665 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000420318655 942618836 /nfs/dbraw/zinc/61/88/36/942618836.db2.gz OHZXMJXSRXTEOZ-IBGZPJMESA-N 2 0 353.510 3.622 20 0 FHADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345664 942626992 /nfs/dbraw/zinc/62/69/92/942626992.db2.gz WHPYORIRGWLVTF-VQTJNVASSA-N 2 0 363.505 3.614 20 0 FHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326204 942629595 /nfs/dbraw/zinc/62/95/95/942629595.db2.gz XIDNCCTYZPQDMN-QWHCGFSZSA-N 2 0 360.914 3.885 20 0 FHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420326210 942629627 /nfs/dbraw/zinc/62/96/27/942629627.db2.gz XIDNCCTYZPQDMN-STQMWFEESA-N 2 0 360.914 3.885 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333564 942631242 /nfs/dbraw/zinc/63/12/42/942631242.db2.gz FIZHYHPRDRTATJ-ONTIZHBOSA-N 2 0 363.505 3.688 20 0 FHADRP CCc1cccc(F)c1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414528256 942631963 /nfs/dbraw/zinc/63/19/63/942631963.db2.gz SXCOEHYRHSHZBE-UHFFFAOYSA-N 2 0 356.485 3.505 20 0 FHADRP c1ccc(COc2cncc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c2)cc1 ZINC000420334066 942632413 /nfs/dbraw/zinc/63/24/13/942632413.db2.gz IGQXBMBRRMZVJS-QFIPXVFZSA-N 2 0 351.494 3.625 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333579 942632423 /nfs/dbraw/zinc/63/24/23/942632423.db2.gz FIZHYHPRDRTATJ-VWPQPMDRSA-N 2 0 363.505 3.688 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000420373362 942644341 /nfs/dbraw/zinc/64/43/41/942644341.db2.gz GIVUVJMRWNYIEX-WMZOPIPTSA-N 2 0 373.324 3.591 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000420377979 942646296 /nfs/dbraw/zinc/64/62/96/942646296.db2.gz AUYQRAZDUVQXGK-CZUORRHYSA-N 2 0 370.324 3.786 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1F ZINC000420379983 942647332 /nfs/dbraw/zinc/64/73/32/942647332.db2.gz BXYSNNKTUUADKT-IEBWSBKVSA-N 2 0 372.488 3.581 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393681 942653766 /nfs/dbraw/zinc/65/37/66/942653766.db2.gz QPCOOJMIRPVKMX-QBIMZIAESA-N 2 0 354.441 3.567 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000420397277 942655322 /nfs/dbraw/zinc/65/53/22/942655322.db2.gz XAKGVRVPUYYEDR-XLIONFOSSA-N 2 0 366.933 3.846 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420413873 942656956 /nfs/dbraw/zinc/65/69/56/942656956.db2.gz TYHSXQQGSVWBKE-RYGJVYDSSA-N 2 0 367.940 3.982 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403439 942661834 /nfs/dbraw/zinc/66/18/34/942661834.db2.gz RMWSMUPKZWQHLH-GHTZIAJQSA-N 2 0 351.494 3.632 20 0 FHADRP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420403504 942662653 /nfs/dbraw/zinc/66/26/53/942662653.db2.gz LAGJBEOQAJNBDW-IEBWSBKVSA-N 2 0 351.494 3.599 20 0 FHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000514005812 942680542 /nfs/dbraw/zinc/68/05/42/942680542.db2.gz SHHCICOBXWMTBH-UZLBHIALSA-N 2 0 368.949 3.583 20 0 FHADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000502742525 942695053 /nfs/dbraw/zinc/69/50/53/942695053.db2.gz VZHFHXOQDMKRQT-ZCNNSNEGSA-N 2 0 351.579 3.752 20 0 FHADRP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)cc1 ZINC000420478997 942708372 /nfs/dbraw/zinc/70/83/72/942708372.db2.gz RIWVSBRCOIRKOD-WMZOPIPTSA-N 2 0 372.513 3.655 20 0 FHADRP CCC[N@H+](CCC[NH+](CC)CC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000514074892 942719235 /nfs/dbraw/zinc/71/92/35/942719235.db2.gz WLJBOZPCUYKHRI-UHFFFAOYSA-N 3 0 361.578 3.506 20 0 FHADRP CC[C@@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)[NH+](C)C ZINC000514077193 942729697 /nfs/dbraw/zinc/72/96/97/942729697.db2.gz MZDNSWAQRGJOGJ-DLBZAZTESA-N 2 0 373.463 3.545 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2Oc2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000514082721 942734199 /nfs/dbraw/zinc/73/41/99/942734199.db2.gz IDXDXDLNQDXRFM-AABGKKOBSA-N 2 0 355.457 3.975 20 0 FHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106164 942750371 /nfs/dbraw/zinc/75/03/71/942750371.db2.gz WIZMEBBCTYBACL-SSGKUCQKSA-N 3 0 355.570 3.609 20 0 FHADRP Cc1ccc2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114778 942754681 /nfs/dbraw/zinc/75/46/81/942754681.db2.gz KEADSDNCAOXCFQ-PXNSSMCTSA-N 2 0 351.494 3.698 20 0 FHADRP CCOC(=O)c1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000514096185 942757281 /nfs/dbraw/zinc/75/72/81/942757281.db2.gz UWNDHSVOJZWMLF-UHFFFAOYSA-N 2 0 370.493 3.800 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000514099077 942758392 /nfs/dbraw/zinc/75/83/92/942758392.db2.gz LQVLBANNAOBFLP-JTKSJCOOSA-N 2 0 367.581 3.894 20 0 FHADRP COc1ccc([C@@H](C)C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000378457464 942790942 /nfs/dbraw/zinc/79/09/42/942790942.db2.gz VSYOQRNOMHZDCM-IBGZPJMESA-N 2 0 373.585 3.585 20 0 FHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]CCCC3CCCCC3)cc2)CC1 ZINC000414553179 942818565 /nfs/dbraw/zinc/81/85/65/942818565.db2.gz IFTPCIURHQUZJK-UHFFFAOYSA-N 2 0 371.569 3.834 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000514210214 942820345 /nfs/dbraw/zinc/82/03/45/942820345.db2.gz BQCKYKKJFZXERU-OAQYLSRUSA-N 2 0 374.573 3.552 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000514211161 942820562 /nfs/dbraw/zinc/82/05/62/942820562.db2.gz OHJJVEMCHZZVKQ-UXPWSPDFSA-N 2 0 368.949 3.754 20 0 FHADRP COc1ccc([C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000421851553 942847313 /nfs/dbraw/zinc/84/73/13/942847313.db2.gz GLOPIZJRDLQKHX-GOSISDBHSA-N 2 0 354.535 3.948 20 0 FHADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414849792 942848884 /nfs/dbraw/zinc/84/88/84/942848884.db2.gz YPICYRRDOFCLQY-QGZVFWFLSA-N 2 0 353.514 3.540 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000502919065 942855724 /nfs/dbraw/zinc/85/57/24/942855724.db2.gz OIGFUWGELDSIEI-GUDVDZBRSA-N 2 0 374.573 3.535 20 0 FHADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000514241873 942856647 /nfs/dbraw/zinc/85/66/47/942856647.db2.gz KCMFCZJKFGHCOV-QNCNLXEUSA-N 2 0 350.506 3.836 20 0 FHADRP C[N@H+](CCCNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1)C1CCCCC1 ZINC000425147845 942874147 /nfs/dbraw/zinc/87/41/47/942874147.db2.gz RTLXZROYYWFPLX-HXUWFJFHSA-N 2 0 368.525 3.703 20 0 FHADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000582050938 942915844 /nfs/dbraw/zinc/91/58/44/942915844.db2.gz QVDJKTDFGIIZSF-HNAYVOBHSA-N 2 0 370.522 3.556 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)c1 ZINC000273245711 942916622 /nfs/dbraw/zinc/91/66/22/942916622.db2.gz ZMNMTWZDJDUJBY-KRWDZBQOSA-N 2 0 370.493 3.541 20 0 FHADRP Cc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C)c1OCc1ccccn1 ZINC000430113725 942927027 /nfs/dbraw/zinc/92/70/27/942927027.db2.gz NNWWEKKREYJUMS-HSZRJFAPSA-N 2 0 365.521 3.805 20 0 FHADRP COC[C@@H]([NH2+]CCCCCC[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000273532029 942979205 /nfs/dbraw/zinc/97/92/05/942979205.db2.gz TUWMJNRIWZALFP-HDICACEKSA-N 2 0 364.486 3.687 20 0 FHADRP C[NH2+][C@@H](C)Cc1noc(-c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1 ZINC000414652381 943103992 /nfs/dbraw/zinc/10/39/92/943103992.db2.gz WLJYCXBHBCETFX-INIZCTEOSA-N 2 0 350.466 3.519 20 0 FHADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000414659101 943127049 /nfs/dbraw/zinc/12/70/49/943127049.db2.gz RTPHSVDYXZCRJA-LBPRGKRZSA-N 2 0 351.313 3.958 20 0 FHADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272281180 943128782 /nfs/dbraw/zinc/12/87/82/943128782.db2.gz ADKXGSGLOZPSCO-RCLSDMTESA-N 2 0 350.510 3.583 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000414665895 943165206 /nfs/dbraw/zinc/16/52/06/943165206.db2.gz VSJUZYOBYBZQDI-WMZOPIPTSA-N 2 0 354.494 3.930 20 0 FHADRP O=C(Nc1cccc(CN2CCC3(CC[NH2+]3)CC2)c1)c1ccccc1Cl ZINC000422565563 943183995 /nfs/dbraw/zinc/18/39/95/943183995.db2.gz ZHLGJKSYICJZSF-UHFFFAOYSA-N 2 0 369.896 3.920 20 0 FHADRP CC(C)CC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272648848 943192873 /nfs/dbraw/zinc/19/28/73/943192873.db2.gz JTUFACAGJOHEBD-TZIWHRDSSA-N 2 0 371.569 3.524 20 0 FHADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000422631202 943214106 /nfs/dbraw/zinc/21/41/06/943214106.db2.gz FGBTUEVJRHHYCI-HLIPFELVSA-N 2 0 351.494 3.744 20 0 FHADRP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422687689 943227080 /nfs/dbraw/zinc/22/70/80/943227080.db2.gz BVWRKPMTHMLMLI-JXFKEZNVSA-N 2 0 355.482 3.880 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc(Br)ccc1F ZINC000422700437 943237796 /nfs/dbraw/zinc/23/77/96/943237796.db2.gz HCCWEJOJBMGLOU-ACJLOTCBSA-N 2 0 365.290 3.679 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CC(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422709184 943242190 /nfs/dbraw/zinc/24/21/90/943242190.db2.gz CZFPJQJIAIJWPU-ROUUACIJSA-N 2 0 360.542 3.654 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)ccn2)cc1 ZINC000422716000 943254943 /nfs/dbraw/zinc/25/49/43/943254943.db2.gz TZEHDUNPOMGTMG-JXFKEZNVSA-N 2 0 355.482 3.750 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000422720519 943257439 /nfs/dbraw/zinc/25/74/39/943257439.db2.gz SPGJQFPUMJLTON-APWZRJJASA-N 2 0 355.482 3.932 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727137 943261696 /nfs/dbraw/zinc/26/16/96/943261696.db2.gz GVYZEPOUMMMRCE-RCCFBDPRSA-N 2 0 355.448 3.529 20 0 FHADRP Fc1ccccc1CSCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758445 943262946 /nfs/dbraw/zinc/26/29/46/943262946.db2.gz DUTSZYGBUPFKBR-FPOVZHCZSA-N 2 0 372.509 3.904 20 0 FHADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758747 943263371 /nfs/dbraw/zinc/26/33/71/943263371.db2.gz JWLPBTLYMHWJDZ-YMTYPPQLSA-N 2 0 374.431 3.578 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000422739047 943265470 /nfs/dbraw/zinc/26/54/70/943265470.db2.gz ZUSHXFKQCOBBIG-KBPBESRZSA-N 2 0 372.431 3.677 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000422738939 943265497 /nfs/dbraw/zinc/26/54/97/943265497.db2.gz KNFSUZFQVYTWSP-BLLLJJGKSA-N 2 0 351.491 3.662 20 0 FHADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422744684 943268731 /nfs/dbraw/zinc/26/87/31/943268731.db2.gz WLWKMEFGXMJVIH-RBDMOPTHSA-N 2 0 352.478 3.608 20 0 FHADRP c1ccc(N2CCC([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422743308 943268756 /nfs/dbraw/zinc/26/87/56/943268756.db2.gz TVGHMHMPTXYRRH-GGAORHGYSA-N 2 0 363.505 3.501 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000422747690 943270433 /nfs/dbraw/zinc/27/04/33/943270433.db2.gz ZJWPDQUNWOKKTF-SFHVURJKSA-N 3 0 366.553 3.931 20 0 FHADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422752002 943272267 /nfs/dbraw/zinc/27/22/67/943272267.db2.gz CDYUZEQUNABKKL-APWZRJJASA-N 2 0 356.489 3.616 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422768322 943275678 /nfs/dbraw/zinc/27/56/78/943275678.db2.gz NTIGZHXIFPVKBQ-ILWGZMRPSA-N 2 0 352.526 3.890 20 0 FHADRP c1ccc2nc(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422776046 943278353 /nfs/dbraw/zinc/27/83/53/943278353.db2.gz CABLRRYQLGCLPB-FYYLOGMGSA-N 2 0 359.473 3.623 20 0 FHADRP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422787844 943283372 /nfs/dbraw/zinc/28/33/72/943283372.db2.gz AGQGOYHVSRESFV-BHIFYINESA-N 2 0 370.468 3.865 20 0 FHADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422786413 943283417 /nfs/dbraw/zinc/28/34/17/943283417.db2.gz OMLBOFOVFKFBPB-XWFZLUIHSA-N 2 0 352.478 3.910 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762622 943283950 /nfs/dbraw/zinc/28/39/50/943283950.db2.gz ILNUPFBAWAEYBG-VSDWSMLSSA-N 2 0 368.521 3.965 20 0 FHADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766139 943285541 /nfs/dbraw/zinc/28/55/41/943285541.db2.gz LLOWOUHETPDYSW-NFBKMPQASA-N 2 0 364.489 3.821 20 0 FHADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766151 943285723 /nfs/dbraw/zinc/28/57/23/943285723.db2.gz LLZTXADZYIPKIH-LYLBAIIYSA-N 2 0 368.477 3.610 20 0 FHADRP Cc1cccc2c(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c21 ZINC000422791260 943294342 /nfs/dbraw/zinc/29/43/42/943294342.db2.gz VVGNDGXRRRZEQF-NFBKMPQASA-N 2 0 361.489 3.864 20 0 FHADRP c1ccc(Oc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422792459 943294985 /nfs/dbraw/zinc/29/49/85/943294985.db2.gz ZHGRBJOBIXQUML-PWRODBHTSA-N 2 0 352.478 3.726 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822905 943295740 /nfs/dbraw/zinc/29/57/40/943295740.db2.gz BURJVAVMFVILML-IFMALSPDSA-N 2 0 352.478 3.819 20 0 FHADRP Fc1ccc2c(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422842295 943296578 /nfs/dbraw/zinc/29/65/78/943296578.db2.gz XZCMVJJORBAXJA-IFMALSPDSA-N 2 0 365.452 3.695 20 0 FHADRP Clc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422828905 943297903 /nfs/dbraw/zinc/29/79/03/943297903.db2.gz UDVRZDLDCSNPJD-CGTJXYLNSA-N 2 0 357.325 3.673 20 0 FHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839019 943300991 /nfs/dbraw/zinc/30/09/91/943300991.db2.gz PMKDIUODQCEWDC-CEMLEFRQSA-N 2 0 366.530 3.863 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)Oc1ccccc1Br ZINC000422841274 943301797 /nfs/dbraw/zinc/30/17/97/943301797.db2.gz VLNCNJRJDPHPEI-DQYPLSBCSA-N 2 0 361.283 3.951 20 0 FHADRP c1ccc(COCCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422839794 943301889 /nfs/dbraw/zinc/30/18/89/943301889.db2.gz RJKYZKCWCFPZPU-FYYLOGMGSA-N 2 0 366.505 3.829 20 0 FHADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422815406 943302532 /nfs/dbraw/zinc/30/25/32/943302532.db2.gz XQYIHCDAESLUOJ-RCCFBDPRSA-N 2 0 356.432 3.776 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422818662 943303514 /nfs/dbraw/zinc/30/35/14/943303514.db2.gz GVBMVHAHAPJXSZ-RHSMWYFYSA-N 2 0 352.906 3.702 20 0 FHADRP FC(F)(F)C1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422818131 943303550 /nfs/dbraw/zinc/30/35/50/943303550.db2.gz JHOSFLBQALEZOJ-FLMHQWFMSA-N 2 0 354.416 3.953 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862616 943309426 /nfs/dbraw/zinc/30/94/26/943309426.db2.gz NTTQKZGJAUXNJZ-QZTJIDSGSA-N 3 0 366.553 3.931 20 0 FHADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422845044 943312395 /nfs/dbraw/zinc/31/23/95/943312395.db2.gz ATZVGSLQGMNQBM-SIKLNZKXSA-N 2 0 354.469 3.949 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422846155 943312783 /nfs/dbraw/zinc/31/27/83/943312783.db2.gz PHTWULSTPBZRNZ-NJDAHSKKSA-N 2 0 356.489 3.720 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422879321 943314129 /nfs/dbraw/zinc/31/41/29/943314129.db2.gz VARWHBOVTXGRKW-JSXRDJHFSA-N 2 0 358.526 3.563 20 0 FHADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OC[C@H]2CCCO2)c1 ZINC000422878159 943314277 /nfs/dbraw/zinc/31/42/77/943314277.db2.gz SODSIERQXDPIOQ-OXQOHEQNSA-N 2 0 369.509 3.566 20 0 FHADRP [NH3+]CC1CCC([NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000422878594 943314322 /nfs/dbraw/zinc/31/43/22/943314322.db2.gz JHNAPLJCYZEODH-JITJBCMDSA-N 2 0 369.578 3.955 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000422891864 943314995 /nfs/dbraw/zinc/31/49/95/943314995.db2.gz LSVZQDSWRMRMAD-LNLFQRSKSA-N 2 0 364.530 3.682 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000422882698 943316205 /nfs/dbraw/zinc/31/62/05/943316205.db2.gz SSIJGJQMNZMTJY-UGKGYDQZSA-N 2 0 352.522 3.591 20 0 FHADRP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422884920 943316942 /nfs/dbraw/zinc/31/69/42/943316942.db2.gz FYXJZLMWWHDMCN-FXAWDEMLSA-N 2 0 358.869 3.694 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422886105 943317682 /nfs/dbraw/zinc/31/76/82/943317682.db2.gz WCMMUJNDGDRNHQ-HZPDHXFCSA-N 2 0 357.473 3.785 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422888018 943318059 /nfs/dbraw/zinc/31/80/59/943318059.db2.gz ZPSPZVNTICEWKZ-QIJUGHKUSA-N 2 0 359.558 3.590 20 0 FHADRP CCOCCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422889768 943319804 /nfs/dbraw/zinc/31/98/04/943319804.db2.gz QPIGWGZUASRABA-SIKLNZKXSA-N 2 0 358.526 3.819 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)CC[NH2+]CC1 ZINC000422869851 943321003 /nfs/dbraw/zinc/32/10/03/943321003.db2.gz ASMMNURWMMVWBQ-KBXCAEBGSA-N 2 0 368.468 3.573 20 0 FHADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422891814 943322513 /nfs/dbraw/zinc/32/25/13/943322513.db2.gz LNJINRPZBMIYTE-NJDAHSKKSA-N 2 0 356.558 3.862 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873649 943322550 /nfs/dbraw/zinc/32/25/50/943322550.db2.gz AWLLWZATLOGUCF-UONOGXRCSA-N 2 0 367.497 3.544 20 0 FHADRP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422891815 943322805 /nfs/dbraw/zinc/32/28/05/943322805.db2.gz LNJINRPZBMIYTE-PCCBWWKXSA-N 2 0 356.558 3.862 20 0 FHADRP COc1ccc([C@H](Nc2cccc(OCC[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422906675 943327333 /nfs/dbraw/zinc/32/73/33/943327333.db2.gz ACRVKNXTROGWJO-VXKWHMMOSA-N 2 0 369.509 3.541 20 0 FHADRP c1cnn(Cc2ccc(-c3ccccc3C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)c1 ZINC000422907948 943327356 /nfs/dbraw/zinc/32/73/56/943327356.db2.gz LVLDGIFHUNWLIH-AIZNXBIQSA-N 2 0 372.516 3.971 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422910089 943327848 /nfs/dbraw/zinc/32/78/48/943327848.db2.gz PRLYKLVEYKBNGM-FGTMMUONSA-N 2 0 370.459 3.730 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911200 943328149 /nfs/dbraw/zinc/32/81/49/943328149.db2.gz KHCBYRLWSMJXFO-LSDHHAIUSA-N 2 0 350.457 3.874 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422894203 943330792 /nfs/dbraw/zinc/33/07/92/943330792.db2.gz BPEGPGRPDJSFHC-CVEARBPZSA-N 2 0 358.482 3.713 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422923145 943332036 /nfs/dbraw/zinc/33/20/36/943332036.db2.gz RGRXJBHKQYKXPI-KGLIPLIRSA-N 2 0 372.431 3.677 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCCO2 ZINC000422926115 943334078 /nfs/dbraw/zinc/33/40/78/943334078.db2.gz CKVDUNDLZWEPJJ-HYVNUMGLSA-N 2 0 350.890 3.512 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422934587 943337183 /nfs/dbraw/zinc/33/71/83/943337183.db2.gz CRAWKAALURAXNV-QXATTWAWSA-N 2 0 368.477 3.610 20 0 FHADRP c1ccc2sc(N3CCC([NH2+][C@@H]4CCC[C@@H]4[C@@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000422935805 943337916 /nfs/dbraw/zinc/33/79/16/943337916.db2.gz DTXJSROVFIIPBY-FGTMMUONSA-N 2 0 370.566 3.775 20 0 FHADRP c1ccc(OCc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422942825 943341025 /nfs/dbraw/zinc/34/10/25/943341025.db2.gz QGIDQCIUYUIECA-XPWALMASSA-N 2 0 366.505 3.512 20 0 FHADRP c1ccc(OCc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422942826 943341196 /nfs/dbraw/zinc/34/11/96/943341196.db2.gz QGIDQCIUYUIECA-YTFSRNRJSA-N 2 0 366.505 3.512 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422964370 943342841 /nfs/dbraw/zinc/34/28/41/943342841.db2.gz LJZWDHKAZZSMNX-VSKRKVRLSA-N 2 0 352.526 3.624 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000422944259 943344990 /nfs/dbraw/zinc/34/49/90/943344990.db2.gz LEVLLIDGQIMODD-OAHLLOKOSA-N 2 0 353.919 3.615 20 0 FHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422947417 943345630 /nfs/dbraw/zinc/34/56/30/943345630.db2.gz QNIFUVBEHMTDDC-LMMKCTJWSA-N 2 0 358.551 3.972 20 0 FHADRP C[C@H]1CN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000435374543 943355798 /nfs/dbraw/zinc/35/57/98/943355798.db2.gz QKUBDHFYRVWUAF-LIRRHRJNSA-N 2 0 357.885 3.761 20 0 FHADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895751 943357443 /nfs/dbraw/zinc/35/74/43/943357443.db2.gz BLSIUFZUYWUYRJ-TUACAJSNSA-N 2 0 367.581 3.871 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996932 943359410 /nfs/dbraw/zinc/35/94/10/943359410.db2.gz AJKQQBJPJWARMB-JVODISISSA-N 3 0 365.565 3.835 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422996931 943359478 /nfs/dbraw/zinc/35/94/78/943359478.db2.gz AJKQQBJPJWARMB-JDBUVZGPSA-N 3 0 365.565 3.835 20 0 FHADRP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008287 943363380 /nfs/dbraw/zinc/36/33/80/943363380.db2.gz ZRLLTYBFUROGNK-XMSQKQJNSA-N 2 0 363.509 3.754 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c(F)c1 ZINC000423013261 943364628 /nfs/dbraw/zinc/36/46/28/943364628.db2.gz MLHYKLHFTOQDKI-SIKLNZKXSA-N 2 0 370.443 3.842 20 0 FHADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371177 943364608 /nfs/dbraw/zinc/36/46/08/943364608.db2.gz LPKJLUXJVOFTKH-HOCLYGCPSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423016032 943365319 /nfs/dbraw/zinc/36/53/19/943365319.db2.gz SDPCIBFRLXBRIS-SMDDNHRTSA-N 2 0 365.827 3.500 20 0 FHADRP COc1ccc(Oc2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000423015759 943365517 /nfs/dbraw/zinc/36/55/17/943365517.db2.gz RNAUNAJZCDUHCG-DFNIBXOVSA-N 2 0 352.478 3.903 20 0 FHADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1c(Cl)cc(Br)cc1Cl ZINC000423023665 943369546 /nfs/dbraw/zinc/36/95/46/943369546.db2.gz HZKVXWAFWPYLAS-RKDXNWHRSA-N 2 0 370.118 3.850 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423020973 943367162 /nfs/dbraw/zinc/36/71/62/943367162.db2.gz ARNUDDIBYOKZRX-QGZVFWFLSA-N 2 0 367.541 3.552 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(NC(=O)c4ccccc4Cl)c3)C[C@@H]12 ZINC000435379153 943368140 /nfs/dbraw/zinc/36/81/40/943368140.db2.gz LFCJNUUZOLSUQW-XFQXTVEOSA-N 2 0 369.896 3.761 20 0 FHADRP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423048560 943368709 /nfs/dbraw/zinc/36/87/09/943368709.db2.gz WWKQUDUZCIXORZ-BXWZPQSNSA-N 2 0 365.924 3.876 20 0 FHADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022897 943369452 /nfs/dbraw/zinc/36/94/52/943369452.db2.gz IMYLTRKAPRGFRW-JOQQVMPUSA-N 2 0 353.913 3.592 20 0 FHADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000435381059 943369687 /nfs/dbraw/zinc/36/96/87/943369687.db2.gz UXQJJFGFEGALGG-KRWDZBQOSA-N 2 0 371.506 3.503 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])c2)CC1 ZINC000423026090 943370473 /nfs/dbraw/zinc/37/04/73/943370473.db2.gz NAZSIGACYREDEP-AUSIDOKSSA-N 2 0 366.553 3.587 20 0 FHADRP Cc1nc(COc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)cs1 ZINC000435380902 943370483 /nfs/dbraw/zinc/37/04/83/943370483.db2.gz QFNKGTDNLGJNCU-NRFANRHFSA-N 2 0 371.550 3.995 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423029667 943371364 /nfs/dbraw/zinc/37/13/64/943371364.db2.gz SHXWCRDZLQTQPQ-YPAWHYETSA-N 2 0 356.558 3.550 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423029666 943371603 /nfs/dbraw/zinc/37/16/03/943371603.db2.gz SHXWCRDZLQTQPQ-FDFHNCONSA-N 2 0 356.558 3.550 20 0 FHADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000423044404 943375497 /nfs/dbraw/zinc/37/54/97/943375497.db2.gz BDTFKKDPBQSFRS-KBAYOESNSA-N 2 0 362.315 3.941 20 0 FHADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000423054749 943376075 /nfs/dbraw/zinc/37/60/75/943376075.db2.gz UYCYDXFMFAWTAA-FDFHNCONSA-N 2 0 356.554 3.926 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OC(C)C ZINC000423056921 943376667 /nfs/dbraw/zinc/37/66/67/943376667.db2.gz YGJILOLQTSTZJT-BTYIYWSLSA-N 2 0 357.498 3.674 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423056466 943376812 /nfs/dbraw/zinc/37/68/12/943376812.db2.gz FXJHFQIUYQCHSI-BNEJOLLZSA-N 2 0 356.432 3.556 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1-c1ccccc1 ZINC000423065612 943379779 /nfs/dbraw/zinc/37/97/79/943379779.db2.gz VBLNUNVCPKCSCT-RJGXRXQPSA-N 2 0 350.506 3.909 20 0 FHADRP COc1ccc([C@@H](C)C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435394156 943380698 /nfs/dbraw/zinc/38/06/98/943380698.db2.gz MOCKYLLLRYTNKV-GHTZIAJQSA-N 2 0 353.510 3.838 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051384 943383997 /nfs/dbraw/zinc/38/39/97/943383997.db2.gz NZBKFTRIOVITLO-CVEARBPZSA-N 2 0 363.502 3.670 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000423051673 943384530 /nfs/dbraw/zinc/38/45/30/943384530.db2.gz NXWVMJJCVNABEJ-SNVBAGLBSA-N 2 0 364.125 3.819 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c1F ZINC000423077876 943385423 /nfs/dbraw/zinc/38/54/23/943385423.db2.gz NCSVPWSLOCLITE-KFKAGJAMSA-N 2 0 364.480 3.523 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423081809 943387682 /nfs/dbraw/zinc/38/76/82/943387682.db2.gz VPRLECJFRRSYDB-GFCCVEGCSA-N 2 0 350.812 3.691 20 0 FHADRP COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423084158 943387959 /nfs/dbraw/zinc/38/79/59/943387959.db2.gz HLZFBFGFJKJEQQ-IRFCIJBXSA-N 2 0 372.896 3.873 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414716693 943388948 /nfs/dbraw/zinc/38/89/48/943388948.db2.gz SOWDVJIEKAJCNY-WMZOPIPTSA-N 2 0 358.530 3.700 20 0 FHADRP CCO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423089111 943390743 /nfs/dbraw/zinc/39/07/43/943390743.db2.gz RRZRXVLEAXKDPJ-KSEOMHKRSA-N 2 0 352.478 3.610 20 0 FHADRP [NH3+][C@H]1C[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc21 ZINC000423091462 943391157 /nfs/dbraw/zinc/39/11/57/943391157.db2.gz ZZCKTXYMKPOYKE-GNNGFNCTSA-N 2 0 353.432 3.526 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423092407 943391429 /nfs/dbraw/zinc/39/14/29/943391429.db2.gz BUEVGPCZMNQKFI-CYBMUJFWSA-N 2 0 367.415 3.683 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097762 943393361 /nfs/dbraw/zinc/39/33/61/943393361.db2.gz BIGWTBACRNCIBD-QUCCMNQESA-N 3 0 359.558 3.560 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097929 943393511 /nfs/dbraw/zinc/39/35/11/943393511.db2.gz RNAWCBIOICIQFD-WBOJAVRRSA-N 2 0 355.295 3.941 20 0 FHADRP C[C@@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000423075605 943395350 /nfs/dbraw/zinc/39/53/50/943395350.db2.gz OXVXTSPELZOLJL-ZRCAFCQKSA-N 2 0 372.896 3.953 20 0 FHADRP CCOc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000435431043 943395891 /nfs/dbraw/zinc/39/58/91/943395891.db2.gz BKSSBKFNWYTABX-OAHLLOKOSA-N 2 0 360.420 3.600 20 0 FHADRP OCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423118833 943396314 /nfs/dbraw/zinc/39/63/14/943396314.db2.gz CJSIBHZARVKSNM-IRFCIJBXSA-N 2 0 372.896 3.609 20 0 FHADRP Cn1cnc2cc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435421554 943402098 /nfs/dbraw/zinc/40/20/98/943402098.db2.gz JZRNVLWHORDMLL-FQEVSTJZSA-N 2 0 366.534 3.779 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423107860 943403783 /nfs/dbraw/zinc/40/37/83/943403783.db2.gz FMYNYNUFNMUQPU-XMSQKQJNSA-N 2 0 366.553 3.800 20 0 FHADRP C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112147 943405132 /nfs/dbraw/zinc/40/51/32/943405132.db2.gz XFPMFRMUAUWKMV-ARZDYRBSSA-N 2 0 361.961 3.984 20 0 FHADRP C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112150 943405201 /nfs/dbraw/zinc/40/52/01/943405201.db2.gz XFPMFRMUAUWKMV-HFRGQYLWSA-N 2 0 361.961 3.984 20 0 FHADRP C[C@H](CC1CCOCC1)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426616 943405724 /nfs/dbraw/zinc/40/57/24/943405724.db2.gz JAXWXYHMFJPMNL-SJLPKXTDSA-N 2 0 363.571 3.540 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(Br)cc3cccnc31)CC[NH2+]CC2 ZINC000514941889 943407963 /nfs/dbraw/zinc/40/79/63/943407963.db2.gz KBOHFRQQPMCUJN-AWEZNQCLSA-N 2 0 374.326 3.961 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423153496 943410843 /nfs/dbraw/zinc/41/08/43/943410843.db2.gz GTGGXFWURCXKMR-ITDFMYJTSA-N 2 0 360.299 3.975 20 0 FHADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423152919 943411611 /nfs/dbraw/zinc/41/16/11/943411611.db2.gz GLKLOYWPUIGIIH-MZKRTTBSSA-N 2 0 363.505 3.803 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)c2)cc1 ZINC000435437447 943415964 /nfs/dbraw/zinc/41/59/64/943415964.db2.gz KPDUDNIUWOQQKB-HXUWFJFHSA-N 2 0 367.493 3.521 20 0 FHADRP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435438962 943418011 /nfs/dbraw/zinc/41/80/11/943418011.db2.gz RZCVPHGPDBQVID-QGZVFWFLSA-N 2 0 360.523 3.910 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177371 943427622 /nfs/dbraw/zinc/42/76/22/943427622.db2.gz HJBVHMJWIREAHV-KGLIPLIRSA-N 2 0 354.473 3.761 20 0 FHADRP c1csc(C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000414722543 943431646 /nfs/dbraw/zinc/43/16/46/943431646.db2.gz MMZZYHHMXAOGKF-FHWLQOOXSA-N 2 0 353.535 3.891 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423211962 943433839 /nfs/dbraw/zinc/43/38/39/943433839.db2.gz LIUUBXICVWBSQO-HSMVNMDESA-N 2 0 355.345 3.821 20 0 FHADRP COCCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423215056 943445624 /nfs/dbraw/zinc/44/56/24/943445624.db2.gz QCDQUUYACSULTI-WMLDXEAASA-N 2 0 355.320 3.506 20 0 FHADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(Br)o2)cc1 ZINC000423247057 943458624 /nfs/dbraw/zinc/45/86/24/943458624.db2.gz KPKSCYFQBXIHEH-YVEFUNNKSA-N 2 0 367.262 3.860 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246874 943458830 /nfs/dbraw/zinc/45/88/30/943458830.db2.gz KLATZESMBSFEOD-HSMVNMDESA-N 2 0 355.345 3.821 20 0 FHADRP COCCC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423255222 943460706 /nfs/dbraw/zinc/46/07/06/943460706.db2.gz BEYXGWPKBRFBAI-YJBOKZPZSA-N 2 0 369.347 3.896 20 0 FHADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283557 943463471 /nfs/dbraw/zinc/46/34/71/943463471.db2.gz XJNBSWVSPFGWKB-ZBEGNZNMSA-N 2 0 350.304 3.753 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423285165 943464097 /nfs/dbraw/zinc/46/40/97/943464097.db2.gz XSRCWWDMZCJMLP-ZCDKGFTFSA-N 2 0 364.505 3.942 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cc1 ZINC000423291603 943465477 /nfs/dbraw/zinc/46/54/77/943465477.db2.gz IXUVSMJGNSIWDS-ZIAGYGMSSA-N 2 0 355.873 3.791 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423348762 943479153 /nfs/dbraw/zinc/47/91/53/943479153.db2.gz UWFPFWQHXFNHHV-BZNIZROVSA-N 2 0 353.329 3.741 20 0 FHADRP COc1ccc(C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423328339 943481411 /nfs/dbraw/zinc/48/14/11/943481411.db2.gz MAGDBGMPFWDZDG-GOTSBHOMSA-N 2 0 368.521 3.967 20 0 FHADRP C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423339836 943484664 /nfs/dbraw/zinc/48/46/64/943484664.db2.gz BNCCUNNDGWIXID-AOMKIAJQSA-N 2 0 353.510 3.937 20 0 FHADRP C[C@@H](C[NH3+])N[C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423359230 943490545 /nfs/dbraw/zinc/49/05/45/943490545.db2.gz CZOFWDBTJYBOEB-GWCFXTLKSA-N 2 0 366.328 3.887 20 0 FHADRP C[C@@H]1C[C@H]([NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)CC[NH2+]1 ZINC000423383876 943497686 /nfs/dbraw/zinc/49/76/86/943497686.db2.gz PSSXQRHSVCSOCJ-QQHRNGFRSA-N 2 0 355.345 3.962 20 0 FHADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423385998 943498465 /nfs/dbraw/zinc/49/84/65/943498465.db2.gz LQTOWEWGQJNAQD-LBPRGKRZSA-N 2 0 363.274 3.912 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC[NH2+]CC1 ZINC000423399063 943503099 /nfs/dbraw/zinc/50/30/99/943503099.db2.gz DSLPZLVKKPOQGB-GFCCVEGCSA-N 2 0 362.848 3.608 20 0 FHADRP COC[C@]1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]1 ZINC000423420455 943504948 /nfs/dbraw/zinc/50/49/48/943504948.db2.gz XEACYTAVPHAHGQ-RYQLBKOJSA-N 2 0 356.432 3.700 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC000423402505 943507692 /nfs/dbraw/zinc/50/76/92/943507692.db2.gz XUIUIQHZACXVFS-JQFCIGGWSA-N 2 0 355.320 3.647 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC[NH2+]CC1 ZINC000423404068 943508056 /nfs/dbraw/zinc/50/80/56/943508056.db2.gz IHZLSQBUUXYNSN-NRFANRHFSA-N 2 0 356.485 3.715 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC[NH2+]CC1 ZINC000423406277 943508686 /nfs/dbraw/zinc/50/86/86/943508686.db2.gz KIUORZZIPBQRCW-ZDUSSCGKSA-N 2 0 365.568 3.847 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000423409560 943509235 /nfs/dbraw/zinc/50/92/35/943509235.db2.gz QJVITBJLNRIWBR-HXUWFJFHSA-N 2 0 373.928 3.625 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC[NH2+]CC1 ZINC000423410704 943509686 /nfs/dbraw/zinc/50/96/86/943509686.db2.gz SMXGSYXYFFVOIQ-OAQYLSRUSA-N 2 0 356.485 3.715 20 0 FHADRP COCC1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC[NH2+]CC1 ZINC000423412328 943510253 /nfs/dbraw/zinc/51/02/53/943510253.db2.gz WPQLAYSNLMITCX-OAHLLOKOSA-N 2 0 373.360 3.568 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423413021 943510909 /nfs/dbraw/zinc/51/09/09/943510909.db2.gz XXFJJERRSJLBDM-HKUYNNGSSA-N 2 0 350.934 3.657 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423449656 943514022 /nfs/dbraw/zinc/51/40/22/943514022.db2.gz GOBHHGLRSWUDKI-MNOVXSKESA-N 2 0 365.827 3.793 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423451689 943514700 /nfs/dbraw/zinc/51/47/00/943514700.db2.gz YLVBODFYLZWCSK-BHYGNILZSA-N 2 0 365.315 3.641 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423431164 943517270 /nfs/dbraw/zinc/51/72/70/943517270.db2.gz LKNHLAOANKGUTI-HZPDHXFCSA-N 2 0 352.544 3.571 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423431166 943517504 /nfs/dbraw/zinc/51/75/04/943517504.db2.gz LKNHLAOANKGUTI-JKSUJKDBSA-N 2 0 352.544 3.571 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000513809419 943519759 /nfs/dbraw/zinc/51/97/59/943519759.db2.gz KHLIBKGIIXSQAH-FQEVSTJZSA-N 2 0 359.558 3.626 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000924963552 943521469 /nfs/dbraw/zinc/52/14/69/943521469.db2.gz KUGIADCQCRTPCP-IBGZPJMESA-N 2 0 374.326 3.865 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423471603 943524978 /nfs/dbraw/zinc/52/49/78/943524978.db2.gz MOQVJVIKQWHXDY-OGWHTMIXSA-N 2 0 364.505 3.942 20 0 FHADRP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414746804 943525828 /nfs/dbraw/zinc/52/58/28/943525828.db2.gz MCGQKQABWKUPOP-WQGACYEGSA-N 2 0 359.297 3.527 20 0 FHADRP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626284 943526783 /nfs/dbraw/zinc/52/67/83/943526783.db2.gz ODHYPXPGVUYQKC-SFHVURJKSA-N 2 0 367.493 3.881 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423453354 943528283 /nfs/dbraw/zinc/52/82/83/943528283.db2.gz KMSSYKPSZDHYPL-BZNIZROVSA-N 2 0 355.251 3.988 20 0 FHADRP COc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1NC(C)=O ZINC000423501021 943530355 /nfs/dbraw/zinc/53/03/55/943530355.db2.gz KUVJJFHMPLIHLC-DNVCBOLYSA-N 2 0 355.482 3.784 20 0 FHADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423501942 943530366 /nfs/dbraw/zinc/53/03/66/943530366.db2.gz DLEGTRBHFBXTSM-GZNCHQMQSA-N 2 0 361.599 3.609 20 0 FHADRP Cc1ccccc1COc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423507209 943532443 /nfs/dbraw/zinc/53/24/43/943532443.db2.gz HUDCBXVJYSIYHD-GCJKJVERSA-N 2 0 354.494 3.603 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423492481 943536511 /nfs/dbraw/zinc/53/65/11/943536511.db2.gz NFSRNFDRCQHTGD-IDCNUPLLSA-N 2 0 350.478 3.552 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423513288 943542076 /nfs/dbraw/zinc/54/20/76/943542076.db2.gz RPKWNSZLJCBZJM-BFHKSVSOSA-N 2 0 367.990 3.700 20 0 FHADRP CCc1ccccc1[C@H](N)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515886 943542707 /nfs/dbraw/zinc/54/27/07/943542707.db2.gz XNVUTKYUQYPPOI-VGOFRKELSA-N 2 0 355.526 3.540 20 0 FHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423516616 943543289 /nfs/dbraw/zinc/54/32/89/943543289.db2.gz AVULKJJPRQGJSP-CRINZODVSA-N 2 0 359.602 3.773 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000423520644 943544661 /nfs/dbraw/zinc/54/46/61/943544661.db2.gz RSLXLGJVSYCWRY-RWBZWWBESA-N 2 0 355.448 3.572 20 0 FHADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423522637 943545547 /nfs/dbraw/zinc/54/55/47/943545547.db2.gz VBXQRVRLVBRAQU-FAEJEUNOSA-N 2 0 365.949 3.606 20 0 FHADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423522229 943545775 /nfs/dbraw/zinc/54/57/75/943545775.db2.gz UFIBUZBWJKKYSE-VEZWFGLTSA-N 2 0 372.582 3.594 20 0 FHADRP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523072 943546443 /nfs/dbraw/zinc/54/64/43/943546443.db2.gz VHVAPBOZCLDTAX-ZOJXTTQQSA-N 2 0 368.352 3.787 20 0 FHADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423525778 943546582 /nfs/dbraw/zinc/54/65/82/943546582.db2.gz KQZASZNDMCRPQG-GFVOOYGCSA-N 2 0 354.538 3.930 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525220 943547186 /nfs/dbraw/zinc/54/71/86/943547186.db2.gz XXRVUHHABVUUJM-ODIFPOPNSA-N 2 0 364.603 3.616 20 0 FHADRP NC1(C[NH2+]C2CCc3ccccc3CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423526587 943547202 /nfs/dbraw/zinc/54/72/02/943547202.db2.gz LRQJQQIJXRLRDW-UHFFFAOYSA-N 2 0 363.549 3.517 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525227 943547247 /nfs/dbraw/zinc/54/72/47/943547247.db2.gz XXRVUHHABVUUJM-OOHWJJMZSA-N 2 0 364.603 3.616 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539845 943551151 /nfs/dbraw/zinc/55/11/51/943551151.db2.gz IYMBWSSYFJSGAC-CXUGXGMPSA-N 2 0 365.315 3.641 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539850 943552024 /nfs/dbraw/zinc/55/20/24/943552024.db2.gz IYMBWSSYFJSGAC-SHFYGJNESA-N 2 0 365.315 3.641 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423542509 943552686 /nfs/dbraw/zinc/55/26/86/943552686.db2.gz GONJKCJWKFGUJZ-MTNOOBJLSA-N 2 0 363.343 3.748 20 0 FHADRP CC(C)[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423543254 943552704 /nfs/dbraw/zinc/55/27/04/943552704.db2.gz BSPUWCWUUDMNCT-NRFANRHFSA-N 2 0 370.516 3.501 20 0 FHADRP CC(C)[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423543265 943552773 /nfs/dbraw/zinc/55/27/73/943552773.db2.gz BSPUWCWUUDMNCT-OAQYLSRUSA-N 2 0 370.516 3.501 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000504252040 943563022 /nfs/dbraw/zinc/56/30/22/943563022.db2.gz RQUXDBMFBFSDKS-FQEVSTJZSA-N 2 0 351.579 3.612 20 0 FHADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)CC[NH2+]1 ZINC000414752101 943566178 /nfs/dbraw/zinc/56/61/78/943566178.db2.gz JYXFCCKREHDDMA-ATNYBXOESA-N 2 0 367.331 3.599 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423691322 943591530 /nfs/dbraw/zinc/59/15/30/943591530.db2.gz CEYOAJBLYLICEP-UHFFFAOYSA-N 2 0 351.494 3.647 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1)C1CC[NH+](C)CC1 ZINC000435772109 943601696 /nfs/dbraw/zinc/60/16/96/943601696.db2.gz YHWKRMXBPVCBOF-QFIPXVFZSA-N 2 0 352.526 3.882 20 0 FHADRP C[C@@H](CC1CCCCC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016384 943687729 /nfs/dbraw/zinc/68/77/29/943687729.db2.gz CCKWJRUIAAUOMS-IBGZPJMESA-N 2 0 371.569 3.703 20 0 FHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587821 943735158 /nfs/dbraw/zinc/73/51/58/943735158.db2.gz SMLJOFVTTLEXFG-UYAOXDASSA-N 2 0 374.573 3.666 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143540 943749747 /nfs/dbraw/zinc/74/97/47/943749747.db2.gz ZROQSTFCAYSSGG-FQEVSTJZSA-N 2 0 351.579 3.645 20 0 FHADRP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000424144817 943750201 /nfs/dbraw/zinc/75/02/01/943750201.db2.gz MCRUOKAAFCFLHI-UHFFFAOYSA-N 2 0 352.482 3.979 20 0 FHADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373801 943818921 /nfs/dbraw/zinc/81/89/21/943818921.db2.gz VLBNIBDNNGFESP-UYAOXDASSA-N 2 0 371.550 3.837 20 0 FHADRP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000584869023 943822082 /nfs/dbraw/zinc/82/20/82/943822082.db2.gz RXCCSBUKWNIQEM-PZJWPPBQSA-N 2 0 367.537 3.913 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(CCc3ccccc3)n1)CC[NH2+]CC2 ZINC000424294440 943823090 /nfs/dbraw/zinc/82/30/90/943823090.db2.gz QJXKRIAEJVKWFI-QGZVFWFLSA-N 2 0 355.551 3.892 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424271207 943828825 /nfs/dbraw/zinc/82/88/25/943828825.db2.gz RPBMLUAIGZUEBD-FRTGENFJSA-N 2 0 360.542 3.700 20 0 FHADRP c1csc([C@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000424320995 943843960 /nfs/dbraw/zinc/84/39/60/943843960.db2.gz UCLPLSGIMIIOJA-ICSRJNTNSA-N 2 0 371.550 3.517 20 0 FHADRP CC(C)[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491098 943856581 /nfs/dbraw/zinc/85/65/81/943856581.db2.gz GQMDRHMQGZCAEE-UNMCSNQZSA-N 2 0 371.569 3.620 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000516970680 943872038 /nfs/dbraw/zinc/87/20/38/943872038.db2.gz YYYYEGPEEJCGKZ-FGZHOGPDSA-N 2 0 366.553 3.678 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1csc(-c3ccc4c(c3)OCO4)n1)CC[NH2+]CC2 ZINC000424380601 943888691 /nfs/dbraw/zinc/88/86/91/943888691.db2.gz QBEFCGLJYMKYFO-AWEZNQCLSA-N 2 0 371.506 3.503 20 0 FHADRP CCOc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OC(F)F ZINC000424385641 943892858 /nfs/dbraw/zinc/89/28/58/943892858.db2.gz WGPQXEIUOMOKJV-CQSZACIVSA-N 2 0 354.441 3.651 20 0 FHADRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000424385209 943893435 /nfs/dbraw/zinc/89/34/35/943893435.db2.gz WDFDKXCSPFLHGJ-CQSZACIVSA-N 2 0 372.431 3.600 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl)CC[NH2+]CC2 ZINC000424385237 943893749 /nfs/dbraw/zinc/89/37/49/943893749.db2.gz WDMQSLJUNVUHGL-HNNXBMFYSA-N 2 0 358.917 3.705 20 0 FHADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310783591 943901233 /nfs/dbraw/zinc/90/12/33/943901233.db2.gz CDXBHYRFXVMSMI-YRISNDGFSA-N 2 0 358.913 3.874 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000424426860 943922478 /nfs/dbraw/zinc/92/24/78/943922478.db2.gz BALOUKPRSFVSOG-MRXNPFEDSA-N 2 0 354.498 3.705 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000424433916 943928188 /nfs/dbraw/zinc/92/81/88/943928188.db2.gz JFMABLPQJLXXBY-KRWDZBQOSA-N 2 0 366.509 3.801 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305244 943932568 /nfs/dbraw/zinc/93/25/68/943932568.db2.gz JQRRMIPWKZYDQZ-QAPCUYQASA-N 2 0 372.525 3.784 20 0 FHADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000515518102 943950752 /nfs/dbraw/zinc/95/07/52/943950752.db2.gz PVEPLHAHEBPQAP-GBESFXJTSA-N 2 0 359.558 3.701 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC000517097610 943997338 /nfs/dbraw/zinc/99/73/38/943997338.db2.gz QTMVEZAGZJJKFO-OAQYLSRUSA-N 2 0 359.558 3.648 20 0 FHADRP CC(C)Oc1ccc2[nH+]ccc(N3CCO[C@@H](CCC[NH+](C)C)C3)c2c1 ZINC000664654157 944085025 /nfs/dbraw/zinc/08/50/25/944085025.db2.gz FOCDJJJQHHRATH-SFHVURJKSA-N 2 0 357.498 3.569 20 0 FHADRP FC(F)(F)[C@@H](CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425897885 944115004 /nfs/dbraw/zinc/11/50/04/944115004.db2.gz WQPLSAQHSRSFFF-KRWDZBQOSA-N 2 0 367.415 3.967 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1)CC(C)C ZINC000418067574 944121649 /nfs/dbraw/zinc/12/16/49/944121649.db2.gz MYSXOWVCYNSMJQ-UHFFFAOYSA-N 2 0 373.585 3.968 20 0 FHADRP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116947 944123356 /nfs/dbraw/zinc/12/33/56/944123356.db2.gz PIAURPGFSADTIQ-XZOQPEGZSA-N 2 0 357.586 3.979 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(=Cc3ccccc3F)CC2)CC1 ZINC000500126037 944148051 /nfs/dbraw/zinc/14/80/51/944148051.db2.gz RJBGUPDCPOFIBC-UHFFFAOYSA-N 2 0 359.533 3.721 20 0 FHADRP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000515756344 944184886 /nfs/dbraw/zinc/18/48/86/944184886.db2.gz ZNUMFLQUUVVQNW-QZTJIDSGSA-N 2 0 359.558 3.701 20 0 FHADRP COc1ccc(Cl)cc1C(C)(C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000425512720 944184937 /nfs/dbraw/zinc/18/49/37/944184937.db2.gz NHRAZIHQIFDSLX-UHFFFAOYSA-N 2 0 367.965 3.589 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(SC)cc2)[C@H](C)C1 ZINC000436302539 944186326 /nfs/dbraw/zinc/18/63/26/944186326.db2.gz AYONEOMBDLSUHB-XLIONFOSSA-N 2 0 350.572 3.678 20 0 FHADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414881832 944216563 /nfs/dbraw/zinc/21/65/63/944216563.db2.gz SUZFJQYSYFBMFY-OLZOCXBDSA-N 2 0 351.288 3.554 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436400557 944276683 /nfs/dbraw/zinc/27/66/83/944276683.db2.gz KPAIGGXAILTGPK-WWPVKYPJSA-N 2 0 350.506 3.679 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436400556 944277119 /nfs/dbraw/zinc/27/71/19/944277119.db2.gz KPAIGGXAILTGPK-WTIAFYNJSA-N 2 0 350.506 3.679 20 0 FHADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000436415489 944287651 /nfs/dbraw/zinc/28/76/51/944287651.db2.gz RSZNCZJJTJCLRC-GOSISDBHSA-N 2 0 367.493 3.691 20 0 FHADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414920458 944302621 /nfs/dbraw/zinc/30/26/21/944302621.db2.gz ZKUOQZUZVPRXES-QFIPXVFZSA-N 2 0 372.484 3.893 20 0 FHADRP CCC1(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000500249068 944330767 /nfs/dbraw/zinc/33/07/67/944330767.db2.gz IYULTUGJEMPTLX-PZJWPPBQSA-N 2 0 355.570 3.894 20 0 FHADRP Cc1ccc2cc(C[NH+]3CCN(C4CC[NH+](C(C)C)CC4)CC3)ccc2n1 ZINC000438092047 944331099 /nfs/dbraw/zinc/33/10/99/944331099.db2.gz DVIMARRBFHVCHT-UHFFFAOYSA-N 2 0 366.553 3.534 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481998 944331820 /nfs/dbraw/zinc/33/18/20/944331820.db2.gz RWQVHVCHBYGMGE-FPOVZHCZSA-N 2 0 363.590 3.659 20 0 FHADRP CC1(C)C[N@H+](Cc2cccnc2N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834969 944339411 /nfs/dbraw/zinc/33/94/11/944339411.db2.gz APFYEWQAAQMOFA-NRFANRHFSA-N 2 0 364.537 3.786 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2c1 ZINC000414983314 944355227 /nfs/dbraw/zinc/35/52/27/944355227.db2.gz ZJMYRDRNMYSJOA-HXUWFJFHSA-N 2 0 352.526 3.847 20 0 FHADRP Fc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167978113 944433132 /nfs/dbraw/zinc/43/31/32/944433132.db2.gz JCPVARUCAGZGCZ-SEJPIABJSA-N 2 0 372.528 3.912 20 0 FHADRP c1ccc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167964031 944436036 /nfs/dbraw/zinc/43/60/36/944436036.db2.gz LJEWUFZKLSYKFH-CWAQXLGLSA-N 3 0 367.581 3.894 20 0 FHADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@@H+]1C ZINC000426325465 944447083 /nfs/dbraw/zinc/44/70/83/944447083.db2.gz VBTFDHCTVZCTOD-LSDHHAIUSA-N 2 0 351.332 3.943 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cc1 ZINC000311247910 944450585 /nfs/dbraw/zinc/45/05/85/944450585.db2.gz VDTBFZFIKLYWSE-UHFFFAOYSA-N 2 0 361.530 3.674 20 0 FHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000518515387 944458872 /nfs/dbraw/zinc/45/88/72/944458872.db2.gz YOZZNWPSIMIQMC-KNQAVFIVSA-N 2 0 371.569 3.540 20 0 FHADRP COCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000894742610 944543155 /nfs/dbraw/zinc/54/31/55/944543155.db2.gz UYURIYSYCWXHEA-FBVQUNGASA-N 2 0 356.432 3.998 20 0 FHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418465777 944650582 /nfs/dbraw/zinc/65/05/82/944650582.db2.gz QPOPDBOWTNPQIE-SFHVURJKSA-N 2 0 360.546 3.504 20 0 FHADRP COC(=O)C1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000426035206 944679907 /nfs/dbraw/zinc/67/99/07/944679907.db2.gz LDFSPLAQYYFPFV-IDGBJLRDSA-N 2 0 358.526 3.609 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N[C@@H](c1nccn1C)C1CC1 ZINC000638739476 944694071 /nfs/dbraw/zinc/69/40/71/944694071.db2.gz SHTWBXSCSXIRSA-CBGDNZLLSA-N 2 0 352.526 3.617 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000500383552 944698350 /nfs/dbraw/zinc/69/83/50/944698350.db2.gz KGBDEHIKAZCGDB-SQFISAMPSA-N 2 0 356.432 3.545 20 0 FHADRP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000311358299 944699869 /nfs/dbraw/zinc/69/98/69/944699869.db2.gz FDLUEQOLNVRGKD-SFHVURJKSA-N 2 0 369.475 3.515 20 0 FHADRP C[NH+](C)CC1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000506872978 944710225 /nfs/dbraw/zinc/71/02/25/944710225.db2.gz CUJMFKNEIBQMRT-UHFFFAOYSA-N 2 0 366.431 3.665 20 0 FHADRP Cc1ccc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000506890802 944730025 /nfs/dbraw/zinc/73/00/25/944730025.db2.gz MAQGVLVWUIWOMD-UHFFFAOYSA-N 2 0 354.494 3.799 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000506891523 944731223 /nfs/dbraw/zinc/73/12/23/944731223.db2.gz CNKQZICTHYJELB-UHFFFAOYSA-N 2 0 363.575 3.776 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000506942927 944762191 /nfs/dbraw/zinc/76/21/91/944762191.db2.gz DEZXYXXGBCUPAE-UHFFFAOYSA-N 2 0 362.468 3.909 20 0 FHADRP CSC1(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC[NH+](C)CC1 ZINC000516354536 944762883 /nfs/dbraw/zinc/76/28/83/944762883.db2.gz RIOXSZSGEOKHIO-INIZCTEOSA-N 2 0 358.555 3.659 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000506926989 944765000 /nfs/dbraw/zinc/76/50/00/944765000.db2.gz LIVMVUVYCBYUDF-UHFFFAOYSA-N 2 0 372.484 3.938 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000438572464 944809628 /nfs/dbraw/zinc/80/96/28/944809628.db2.gz QTFHWDKIDFNZJO-UHFFFAOYSA-N 2 0 360.461 3.604 20 0 FHADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC000426068368 944809828 /nfs/dbraw/zinc/80/98/28/944809828.db2.gz BJAXCSRAKPTXHB-FQEVSTJZSA-N 2 0 368.521 3.673 20 0 FHADRP Cn1ccnc1[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441674 944863676 /nfs/dbraw/zinc/86/36/76/944863676.db2.gz ACCLMNPLEAAIBJ-PZJWPPBQSA-N 2 0 352.526 3.763 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1)C1CC1 ZINC000511677892 944903500 /nfs/dbraw/zinc/90/35/00/944903500.db2.gz RQMMELLFFKUOID-FDDCHVKYSA-N 2 0 371.569 3.911 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511677893 944903819 /nfs/dbraw/zinc/90/38/19/944903819.db2.gz RQMMELLFFKUOID-JPYJTQIMSA-N 2 0 371.569 3.911 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)F ZINC000425693571 944953016 /nfs/dbraw/zinc/95/30/16/944953016.db2.gz ROADMJMRCHXKBX-OAHLLOKOSA-N 2 0 368.472 3.504 20 0 FHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCCC[NH3+] ZINC000414897159 944984729 /nfs/dbraw/zinc/98/47/29/944984729.db2.gz BANDIFFDQYRIGV-CYBMUJFWSA-N 2 0 351.288 3.698 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437106116 945027754 /nfs/dbraw/zinc/02/77/54/945027754.db2.gz UUEOXFRAACTGTN-NWSQWKLXSA-N 2 0 363.549 3.795 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000414955803 945047777 /nfs/dbraw/zinc/04/77/77/945047777.db2.gz UQQCPVJQOKTGFK-OSMZGAPFSA-N 2 0 370.337 3.789 20 0 FHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029491 945420243 /nfs/dbraw/zinc/42/02/43/945420243.db2.gz RXDOFUWXNACNJD-QGZVFWFLSA-N 2 0 354.897 3.645 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415013900 945500167 /nfs/dbraw/zinc/50/01/67/945500167.db2.gz YXOOLQJZWIISDN-PXNSSMCTSA-N 2 0 352.526 3.832 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000415050334 945502491 /nfs/dbraw/zinc/50/24/91/945502491.db2.gz YMSFZZPGYHDVQB-DYEKYZERSA-N 2 0 370.337 3.776 20 0 FHADRP Brc1cnc2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc2c1 ZINC001204742189 945538881 /nfs/dbraw/zinc/53/88/81/945538881.db2.gz JVUXFICPSNVTJW-UHFFFAOYSA-N 2 0 374.326 3.963 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cn(C(C)C)nc2C)cc1 ZINC000281262958 945575543 /nfs/dbraw/zinc/57/55/43/945575543.db2.gz HALOIQUSNMICNS-UHFFFAOYSA-N 2 0 358.530 3.783 20 0 FHADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)C[C@H](C)O1 ZINC000651672920 945597539 /nfs/dbraw/zinc/59/75/39/945597539.db2.gz PKRASURDSYJCJC-IRXDYDNUSA-N 2 0 365.477 3.727 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654520 945622201 /nfs/dbraw/zinc/62/22/01/945622201.db2.gz SRACPBTWHCIMTB-QZTJIDSGSA-N 2 0 370.928 3.927 20 0 FHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000281455885 945640215 /nfs/dbraw/zinc/64/02/15/945640215.db2.gz DNNFIIBBNOGQQV-CCKFTAQKSA-N 2 0 370.459 3.604 20 0 FHADRP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC000629701412 945662923 /nfs/dbraw/zinc/66/29/23/945662923.db2.gz BTACQJXESZLGQU-FXAWDEMLSA-N 2 0 352.522 3.756 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416428 945684059 /nfs/dbraw/zinc/68/40/59/945684059.db2.gz IZHMLZBZKOACCQ-KCUCZHLASA-N 2 0 363.496 3.703 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(-c2ccccc2)cn1 ZINC000651709241 945736040 /nfs/dbraw/zinc/73/60/40/945736040.db2.gz PNGFTZMHAHVICD-RXVVDRJESA-N 2 0 364.537 3.568 20 0 FHADRP COC(=O)CC1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168049170 945756847 /nfs/dbraw/zinc/75/68/47/945756847.db2.gz YYFFBNIPFRFJQW-QZTJIDSGSA-N 2 0 358.526 3.703 20 0 FHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519817109 945783311 /nfs/dbraw/zinc/78/33/11/945783311.db2.gz BEVDGIURNVYNDM-IBGZPJMESA-N 2 0 369.484 3.574 20 0 FHADRP C[C@H]1CC(N2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065963 945816559 /nfs/dbraw/zinc/81/65/59/945816559.db2.gz ZJERXXVHNZHNHH-BHHKEHIISA-N 2 0 368.443 3.832 20 0 FHADRP C[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444090326 945839780 /nfs/dbraw/zinc/83/97/80/945839780.db2.gz RHFOGMSVDXAWIB-BFUACXKISA-N 2 0 371.569 3.759 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000440803525 945927189 /nfs/dbraw/zinc/92/71/89/945927189.db2.gz GNMMJUYAZNBYPX-UHFFFAOYSA-N 2 0 366.431 3.950 20 0 FHADRP CCOc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC(=O)CC ZINC000840876866 945937012 /nfs/dbraw/zinc/93/70/12/945937012.db2.gz PYJKTLFNHWCCOA-UHFFFAOYSA-N 2 0 362.514 3.800 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(C[NH2+]C)cc2)c1 ZINC000415975808 945940976 /nfs/dbraw/zinc/94/09/76/945940976.db2.gz USVOHXBFGXCAFG-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CCCCCC1 ZINC000522851349 946004974 /nfs/dbraw/zinc/00/49/74/946004974.db2.gz YRCNKCUWPFQJSP-HXUWFJFHSA-N 2 0 371.569 3.943 20 0 FHADRP Cc1ccc2[nH+]ccc(NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)c2c1 ZINC000302153889 946149302 /nfs/dbraw/zinc/14/93/02/946149302.db2.gz LSADXZJXFCLSGE-UHFFFAOYSA-N 2 0 368.525 3.582 20 0 FHADRP CSC1(C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC[NH+](C)CC1 ZINC000520212476 946276615 /nfs/dbraw/zinc/27/66/15/946276615.db2.gz MSHREOCGECDVRM-KRWDZBQOSA-N 2 0 363.527 3.648 20 0 FHADRP CSc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000103482406 946304724 /nfs/dbraw/zinc/30/47/24/946304724.db2.gz SFEPFKLDLLABCU-UHFFFAOYSA-N 2 0 361.555 3.545 20 0 FHADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000520290342 946366646 /nfs/dbraw/zinc/36/66/46/946366646.db2.gz GNPBNBJYXWXTJH-QUCCMNQESA-N 2 0 357.542 3.641 20 0 FHADRP C[C@H]([NH2+]CC1Cc2ccccc2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000520297227 946376667 /nfs/dbraw/zinc/37/66/67/946376667.db2.gz PIUXMFWQSBEJFG-KRWDZBQOSA-N 2 0 367.512 3.643 20 0 FHADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000152436226 946412635 /nfs/dbraw/zinc/41/26/35/946412635.db2.gz RKASWRGOMMEFID-KDOFPFPSSA-N 2 0 371.352 3.971 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488935 946431153 /nfs/dbraw/zinc/43/11/53/946431153.db2.gz VTUOAZOIJYNXCT-BDXSIMOUSA-N 2 0 365.562 3.532 20 0 FHADRP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000441359570 946485360 /nfs/dbraw/zinc/48/53/60/946485360.db2.gz RRGXITAVODVJKX-VXKWHMMOSA-N 2 0 371.569 3.552 20 0 FHADRP C[C@H](OC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363691 946509852 /nfs/dbraw/zinc/50/98/52/946509852.db2.gz KBPDXUVWWCEBHP-PWIZWCRZSA-N 2 0 368.949 3.585 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000520396833 946560149 /nfs/dbraw/zinc/56/01/49/946560149.db2.gz OTIKHZARLMNCMA-FUHWJXTLSA-N 2 0 372.475 3.711 20 0 FHADRP COc1cc(Br)ccc1CNC1CC([NH+]2CCCCC2)C1 ZINC000475565026 946678899 /nfs/dbraw/zinc/67/88/99/946678899.db2.gz VOBGLPVENOHKMW-UHFFFAOYSA-N 2 0 353.304 3.564 20 0 FHADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(c1)ncn2[C@H]1CCC[NH2+]CC1 ZINC001167991039 946709837 /nfs/dbraw/zinc/70/98/37/946709837.db2.gz FFWQONRYUPQLMB-HNNXBMFYSA-N 2 0 366.444 3.522 20 0 FHADRP COC(=O)CC[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059780 946746651 /nfs/dbraw/zinc/74/66/51/946746651.db2.gz HDZOZIKXXODVNW-CMKODMSKSA-N 2 0 358.526 3.703 20 0 FHADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347799 946878170 /nfs/dbraw/zinc/87/81/70/946878170.db2.gz MHPXRUOJRNZUJW-LLDVTBCESA-N 2 0 367.331 3.728 20 0 FHADRP C[C@@H](CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000475325546 946884082 /nfs/dbraw/zinc/88/40/82/946884082.db2.gz VVQKJFPLNQDRNV-NRFANRHFSA-N 2 0 374.569 3.806 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347420 946885351 /nfs/dbraw/zinc/88/53/51/946885351.db2.gz AMTCRRLDEIGSLV-VIZSFHNOSA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348641 946886589 /nfs/dbraw/zinc/88/65/89/946886589.db2.gz LRBCQKUDLMBHTN-XJUOHMSHSA-N 2 0 368.521 3.827 20 0 FHADRP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994264 946903154 /nfs/dbraw/zinc/90/31/54/946903154.db2.gz AUECTHNZAIZLCG-JGMJOYBNSA-N 2 0 374.569 3.834 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000123956020 946918010 /nfs/dbraw/zinc/91/80/10/946918010.db2.gz WYSZUTCLHRYNCS-FQEVSTJZSA-N 2 0 351.494 3.647 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2COCc3ccccc32)CC1 ZINC000418102876 946936584 /nfs/dbraw/zinc/93/65/84/946936584.db2.gz HYIPHBWGEDXXCE-QFIPXVFZSA-N 2 0 365.521 3.580 20 0 FHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000511909418 946937386 /nfs/dbraw/zinc/93/73/86/946937386.db2.gz DSGAMCYAMNPIOJ-IBGZPJMESA-N 2 0 368.521 3.630 20 0 FHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432246933 946946001 /nfs/dbraw/zinc/94/60/01/946946001.db2.gz ONWBIUZZLHKCCO-UHFFFAOYSA-N 2 0 362.320 3.638 20 0 FHADRP C[C@@H]1CC([N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062130 946951501 /nfs/dbraw/zinc/95/15/01/946951501.db2.gz JCINGIRNVRELJD-MBOZVWFJSA-N 2 0 364.480 3.928 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](Oc3ccncc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065675 947179610 /nfs/dbraw/zinc/17/96/10/947179610.db2.gz XLCIHCBXVNBMTD-MHXAIHSWSA-N 2 0 365.521 3.976 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825412142 947181709 /nfs/dbraw/zinc/18/17/09/947181709.db2.gz LWLPLLRFLMIQEX-QGZVFWFLSA-N 2 0 370.545 3.762 20 0 FHADRP CCc1ccc(CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000523775258 947598314 /nfs/dbraw/zinc/59/83/14/947598314.db2.gz GWGAXEXSLOSFQJ-UHFFFAOYSA-N 2 0 365.565 3.541 20 0 FHADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460358 947608952 /nfs/dbraw/zinc/60/89/52/947608952.db2.gz CWYRIAKPBHMOJL-COPCDDAFSA-N 2 0 369.553 3.552 20 0 FHADRP COc1ccccc1C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCO1 ZINC000662251159 947669701 /nfs/dbraw/zinc/66/97/01/947669701.db2.gz AFUWRUMKJDDDRA-OAQYLSRUSA-N 2 0 366.505 3.522 20 0 FHADRP COc1ccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1OC(F)F ZINC000662250477 947672964 /nfs/dbraw/zinc/67/29/64/947672964.db2.gz IZLDCUFTQWNBDQ-UHFFFAOYSA-N 2 0 362.420 3.574 20 0 FHADRP O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662251871 947674179 /nfs/dbraw/zinc/67/41/79/947674179.db2.gz HZWNRGOQGSOFMG-UHFFFAOYSA-N 2 0 370.443 3.705 20 0 FHADRP COCCC1(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCCCC1 ZINC000189251416 947680322 /nfs/dbraw/zinc/68/03/22/947680322.db2.gz CAQXWFGQYVYJFT-UHFFFAOYSA-N 2 0 365.606 3.513 20 0 FHADRP C[N@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258632 947685394 /nfs/dbraw/zinc/68/53/94/947685394.db2.gz WEFLHAAXLXUQBM-HXUWFJFHSA-N 2 0 369.509 3.507 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662386936 947777725 /nfs/dbraw/zinc/77/77/25/947777725.db2.gz PUAWIUFMBGULQK-OPYAIIAOSA-N 2 0 371.569 3.553 20 0 FHADRP CN(C(=O)CC[NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000663360925 947848640 /nfs/dbraw/zinc/84/86/40/947848640.db2.gz RPYTUDDYRDHIQE-UHFFFAOYSA-N 2 0 371.550 3.603 20 0 FHADRP Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663362984 947852459 /nfs/dbraw/zinc/85/24/59/947852459.db2.gz DLADWXKAFSJIMR-NRFANRHFSA-N 2 0 352.526 3.915 20 0 FHADRP c1ccc(N2CC[NH+](Cc3ccccc3C[NH2+]Cc3cccnc3)CC2)cc1 ZINC000075800065 947859155 /nfs/dbraw/zinc/85/91/55/947859155.db2.gz MWKSOAFBLRNJEN-UHFFFAOYSA-N 2 0 372.516 3.694 20 0 FHADRP C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467977 948054625 /nfs/dbraw/zinc/05/46/25/948054625.db2.gz JMTRFEYBLAGIEU-PMOQBDJRSA-N 2 0 355.570 3.609 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)c1 ZINC000663466771 948057998 /nfs/dbraw/zinc/05/79/98/948057998.db2.gz ACFHXXORCUQQTB-AZUAARDMSA-N 2 0 357.542 3.732 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821147 948079160 /nfs/dbraw/zinc/07/91/60/948079160.db2.gz BVLDFHMROGMSIT-PXNSSMCTSA-N 2 0 363.571 3.687 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000166009436 948085365 /nfs/dbraw/zinc/08/53/65/948085365.db2.gz PWBDDXKMTDWOAI-YOEHRIQHSA-N 2 0 362.543 3.521 20 0 FHADRP C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(SCC(F)F)cc1 ZINC000925780573 948093303 /nfs/dbraw/zinc/09/33/03/948093303.db2.gz FTQDMDKWIXCOJY-YPMHNXCESA-N 2 0 350.425 3.939 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823544 948100938 /nfs/dbraw/zinc/10/09/38/948100938.db2.gz DIEHFINRDBBMTD-NFBKMPQASA-N 2 0 371.569 3.934 20 0 FHADRP CO[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1Cl ZINC000643467450 948106625 /nfs/dbraw/zinc/10/66/25/948106625.db2.gz HVXJZFVYXKMLDN-CEWLAPEOSA-N 2 0 372.896 3.873 20 0 FHADRP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167824724 948112887 /nfs/dbraw/zinc/11/28/87/948112887.db2.gz FYNACJUCYUTTLM-ROUUACIJSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC001167824942 948114983 /nfs/dbraw/zinc/11/49/83/948114983.db2.gz JAHLYCKONMHUSM-SFHVURJKSA-N 2 0 357.546 3.728 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001167825126 948117264 /nfs/dbraw/zinc/11/72/64/948117264.db2.gz REEUMSFYJNSTEP-MOPGFXCFSA-N 2 0 363.594 3.610 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(n2c3ccccc3oc2=O)CC1 ZINC001167825610 948125284 /nfs/dbraw/zinc/12/52/84/948125284.db2.gz KKMGDYJGTUZWNX-KRWDZBQOSA-N 2 0 359.514 3.742 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001167825725 948126300 /nfs/dbraw/zinc/12/63/00/948126300.db2.gz SRIZNBIDYLSIIK-OALUTQOASA-N 3 0 353.595 3.509 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001167826305 948129762 /nfs/dbraw/zinc/12/97/62/948129762.db2.gz OTYVIYIOMDZFED-NRFANRHFSA-N 3 0 372.601 3.880 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1cccc(C)c1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001167826871 948133815 /nfs/dbraw/zinc/13/38/15/948133815.db2.gz ZETXYNIYKLMSQK-PMVMPFDFSA-N 2 0 373.585 3.833 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1cccc(C)c1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001167826865 948133873 /nfs/dbraw/zinc/13/38/73/948133873.db2.gz ZETXYNIYKLMSQK-ACIOBRDBSA-N 2 0 373.585 3.833 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001167827053 948134690 /nfs/dbraw/zinc/13/46/90/948134690.db2.gz RYMIXKJKPDMZEQ-INIZCTEOSA-N 2 0 361.505 3.622 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167826987 948134882 /nfs/dbraw/zinc/13/48/82/948134882.db2.gz SSCRKAKYCQIUMS-KRWDZBQOSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001167827633 948156499 /nfs/dbraw/zinc/15/64/99/948156499.db2.gz UIZQFWYOMMOBRX-KSEOMHKRSA-N 2 0 366.590 3.652 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCCO1 ZINC000432352167 948198340 /nfs/dbraw/zinc/19/83/40/948198340.db2.gz WDMRJAZZXOXDBY-CYBMUJFWSA-N 2 0 364.839 3.949 20 0 FHADRP CCCOc1c(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262109278 948246034 /nfs/dbraw/zinc/24/60/34/948246034.db2.gz WFYCQMRDVPUFTC-UHFFFAOYSA-N 2 0 352.906 3.713 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)cc3F)C2)CC1 ZINC000507777057 948265269 /nfs/dbraw/zinc/26/52/69/948265269.db2.gz OWABPZWMWNRDOT-JOCHJYFZSA-N 2 0 367.512 3.705 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001167835604 948300702 /nfs/dbraw/zinc/30/07/02/948300702.db2.gz RTCKLBMWSCDEHF-YLJYHZDGSA-N 2 0 363.521 3.530 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167836552 948306791 /nfs/dbraw/zinc/30/67/91/948306791.db2.gz FHEKKPMKWRUSMK-KURKYZTESA-N 2 0 355.567 3.827 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836804 948307374 /nfs/dbraw/zinc/30/73/74/948307374.db2.gz HLSAGJUFRNJZQF-ROUUACIJSA-N 2 0 355.567 3.876 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2CC(OCC)C2)CC1 ZINC000473995973 948317100 /nfs/dbraw/zinc/31/71/00/948317100.db2.gz VRAFVMODAKVJGC-UHFFFAOYSA-N 2 0 359.558 3.513 20 0 FHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000432405036 948348635 /nfs/dbraw/zinc/34/86/35/948348635.db2.gz GNGNXRCYINJQOV-GJZGRUSLSA-N 2 0 360.420 3.737 20 0 FHADRP O[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166851247 948355298 /nfs/dbraw/zinc/35/52/98/948355298.db2.gz JCQKMWRTTVWRIJ-XJUOHMSHSA-N 2 0 366.505 3.515 20 0 FHADRP C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432411314 948362150 /nfs/dbraw/zinc/36/21/50/948362150.db2.gz XFLNFQMIXARMRH-LSDHHAIUSA-N 2 0 355.320 3.601 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001167841695 948366342 /nfs/dbraw/zinc/36/63/42/948366342.db2.gz PBLZRJQYSHMWOX-QRVBRYPASA-N 2 0 367.578 3.828 20 0 FHADRP c1ccc(C2([NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)CC3)CC2)cc1 ZINC001168004341 948373009 /nfs/dbraw/zinc/37/30/09/948373009.db2.gz TZGBQGSJKYUDKF-AIZNXBIQSA-N 2 0 365.565 3.699 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152395090 948483205 /nfs/dbraw/zinc/48/32/05/948483205.db2.gz PTDTWPAVFLSYAY-PIGZYNQJSA-N 2 0 353.279 3.649 20 0 FHADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC000512135096 948514501 /nfs/dbraw/zinc/51/45/01/948514501.db2.gz FJKVRENFVOJTQM-NSCUHMNNSA-N 2 0 371.475 3.515 20 0 FHADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@@H](C)O1 ZINC000512182837 948710402 /nfs/dbraw/zinc/71/04/02/948710402.db2.gz SYNAHFROFROEBM-HZPDHXFCSA-N 2 0 360.473 3.893 20 0 FHADRP Fc1ccc(OCC[NH+]2CCC(Nc3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000663705896 948725856 /nfs/dbraw/zinc/72/58/56/948725856.db2.gz WFCQYBBGEIXMEB-UHFFFAOYSA-N 2 0 354.429 3.657 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187077443 948783078 /nfs/dbraw/zinc/78/30/78/948783078.db2.gz NJNQGFDOQHJEGD-SZPZYZBQSA-N 2 0 373.585 3.726 20 0 FHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019027 567901543 /nfs/dbraw/zinc/90/15/43/567901543.db2.gz DNPKYRFGSWBTBJ-FCHUYYIVSA-N 2 0 364.489 3.604 20 0 FHADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C2CCC2)cc1 ZINC000186978003 568040902 /nfs/dbraw/zinc/04/09/02/568040902.db2.gz LCIMTTCNCNQUPC-QHCPKHFHSA-N 2 0 364.537 3.773 20 0 FHADRP CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000603515164 568111392 /nfs/dbraw/zinc/11/13/92/568111392.db2.gz WFJTVKQEXTZVAR-OAQYLSRUSA-N 2 0 359.558 3.515 20 0 FHADRP c1ccc(C[N@@H+]2CC[C@@H](NC3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119699 568224540 /nfs/dbraw/zinc/22/45/40/568224540.db2.gz FTCVNNIFPRYKFP-ITAUSPCMSA-N 2 0 353.554 3.790 20 0 FHADRP CCCOc1c(Cl)cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000563135507 568267908 /nfs/dbraw/zinc/26/79/08/568267908.db2.gz LVVVSNBINSANDF-HOTGVXAUSA-N 2 0 352.906 3.569 20 0 FHADRP [NH3+]CCC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000316014211 568402736 /nfs/dbraw/zinc/40/27/36/568402736.db2.gz SGQPAGUYQFRAGV-UHFFFAOYSA-N 2 0 364.704 3.646 20 0 FHADRP CCc1ccc(-c2ccc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)o2)cc1 ZINC000525802862 568574470 /nfs/dbraw/zinc/57/44/70/568574470.db2.gz QZHDUYFGPJETBL-UHFFFAOYSA-N 2 0 355.526 3.625 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)c1 ZINC000056184876 568583367 /nfs/dbraw/zinc/58/33/67/568583367.db2.gz DMMZSZGNFSAQKX-MRXNPFEDSA-N 2 0 357.473 3.784 20 0 FHADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268258 599319886 /nfs/dbraw/zinc/31/98/86/599319886.db2.gz RSNXEZLBQICJBR-FGTMMUONSA-N 2 0 368.529 3.514 20 0 FHADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584747 609333601 /nfs/dbraw/zinc/33/36/01/609333601.db2.gz GFIYQZLXRHVBRB-MRXNPFEDSA-N 2 0 374.508 3.703 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427878 718946470 /nfs/dbraw/zinc/94/64/70/718946470.db2.gz GXPVUNIRZDJRHY-YPAWHYETSA-N 2 0 362.521 3.704 20 0 FHADRP CCOc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164791547 721494652 /nfs/dbraw/zinc/49/46/52/721494652.db2.gz DHXCGZXIRNITOT-UHFFFAOYSA-N 2 0 366.509 3.756 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000511769828 945065526 /nfs/dbraw/zinc/06/55/26/945065526.db2.gz IDDIOQDDMVLMSE-SJLPKXTDSA-N 2 0 362.468 3.539 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000511769830 945065972 /nfs/dbraw/zinc/06/59/72/945065972.db2.gz IDDIOQDDMVLMSE-WMZOPIPTSA-N 2 0 362.468 3.539 20 0 FHADRP c1cc(N2CCC([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC2)cc[nH+]1 ZINC000298249956 945066558 /nfs/dbraw/zinc/06/65/58/945066558.db2.gz DHYSCBGEEADIFA-UHFFFAOYSA-N 2 0 365.525 3.616 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162484612 937134744 /nfs/dbraw/zinc/13/47/44/937134744.db2.gz DYGYISAGTGTVCZ-QGZVFWFLSA-N 2 0 372.582 3.715 20 0 FHADRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1c(Cl)cccc1Cl ZINC000150763353 937151799 /nfs/dbraw/zinc/15/17/99/937151799.db2.gz SCYWBBXVCUNBCH-CQSZACIVSA-N 2 0 370.324 3.740 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C1 ZINC000583131511 937153042 /nfs/dbraw/zinc/15/30/42/937153042.db2.gz PVQOVNJIXDWLOG-HKUYNNGSSA-N 2 0 357.523 3.528 20 0 FHADRP CSC1(C[NH2+]Cc2ccccc2OCc2cccnc2)CC[NH+](C)CC1 ZINC000579768202 927360842 /nfs/dbraw/zinc/36/08/42/927360842.db2.gz GJBUAGZAIJAGSV-UHFFFAOYSA-N 2 0 371.550 3.578 20 0 FHADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643544789 927384445 /nfs/dbraw/zinc/38/44/45/927384445.db2.gz SWUKULPGBZGJBG-WUKCXZRKSA-N 2 0 367.537 3.721 20 0 FHADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776684 927387904 /nfs/dbraw/zinc/38/79/04/927387904.db2.gz ZNBASJDDOFADJS-MAUKXSAKSA-N 2 0 358.448 3.635 20 0 FHADRP COc1c(C)cnc(CN2CCC([N@H+](C)Cc3cccc(O)c3)CC2)c1C ZINC000579777502 927397028 /nfs/dbraw/zinc/39/70/28/927397028.db2.gz RKNUXJRNDUZQDH-UHFFFAOYSA-N 2 0 369.509 3.509 20 0 FHADRP CS[C@@H]1CC[N@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](SC)C3)c2)C1 ZINC000579797379 927541769 /nfs/dbraw/zinc/54/17/69/927541769.db2.gz WBHDJYMDBPDIAR-SJORKVTESA-N 2 0 354.560 3.700 20 0 FHADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000123709062 937173060 /nfs/dbraw/zinc/17/30/60/937173060.db2.gz AILXQKTUHGPQDC-UHFFFAOYSA-N 2 0 363.505 3.671 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510078213 927823440 /nfs/dbraw/zinc/82/34/40/927823440.db2.gz YIHRZOJGNAFPDL-WOJBJXKFSA-N 2 0 359.558 3.570 20 0 FHADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118779363 927938748 /nfs/dbraw/zinc/93/87/48/927938748.db2.gz NSPQRDOMNXOOKN-BRWVUGGUSA-N 2 0 371.525 3.591 20 0 FHADRP CCC[NH+]1CCC(NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000119190815 928059351 /nfs/dbraw/zinc/05/93/51/928059351.db2.gz UIQRNVAPBDMBIL-NRFANRHFSA-N 2 0 359.558 3.686 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000583198989 937234093 /nfs/dbraw/zinc/23/40/93/937234093.db2.gz SWJNMSBTBARKML-INIZCTEOSA-N 2 0 351.922 3.913 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000583225798 937255722 /nfs/dbraw/zinc/25/57/22/937255722.db2.gz BZUBLMCDWHHSGA-IRLDBZIGSA-N 2 0 367.537 3.913 20 0 FHADRP CC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274901776 929008764 /nfs/dbraw/zinc/00/87/64/929008764.db2.gz LKALYWICMLYAOE-XMSQKQJNSA-N 2 0 365.521 3.688 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000123621886 929298074 /nfs/dbraw/zinc/29/80/74/929298074.db2.gz APGLHYYVHFWZSZ-LJQANCHMSA-N 2 0 359.558 3.993 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000154847246 929364845 /nfs/dbraw/zinc/36/48/45/929364845.db2.gz MAIYWNFSSACUNF-KRWDZBQOSA-N 2 0 374.550 3.781 20 0 FHADRP Cc1cc(=O)oc2cc(OCC[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)ccc12 ZINC000077281016 929388117 /nfs/dbraw/zinc/38/81/17/929388117.db2.gz CYVNBEASFHVEGQ-UHFFFAOYSA-N 2 0 372.509 3.532 20 0 FHADRP Cc1ccc(C)c([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c1 ZINC000180485116 929523229 /nfs/dbraw/zinc/52/32/29/929523229.db2.gz XOUHDRSCNSZWJD-QHCPKHFHSA-N 2 0 352.522 3.687 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccnc3)cc2)[C@H](C)C1 ZINC000533530765 929580861 /nfs/dbraw/zinc/58/08/61/929580861.db2.gz FEPREKIERLEXGA-GCJKJVERSA-N 2 0 353.510 3.823 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1)C1CC[NH+](C)CC1 ZINC000655863069 929636712 /nfs/dbraw/zinc/63/67/12/929636712.db2.gz GRFKEVUCYHNNEZ-NRFANRHFSA-N 2 0 371.569 3.798 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000651966781 929750300 /nfs/dbraw/zinc/75/03/00/929750300.db2.gz CBJPZARLVASQGU-HWHRFOGPSA-N 2 0 365.521 3.802 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151958693 930051120 /nfs/dbraw/zinc/05/11/20/930051120.db2.gz DSQQRGQLEUACHY-RTBURBONSA-N 2 0 361.549 3.543 20 0 FHADRP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000647288606 937390552 /nfs/dbraw/zinc/39/05/52/937390552.db2.gz IGYBRTIMTBSPBN-UTKZUKDTSA-N 2 0 359.583 3.544 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000118868410 930179658 /nfs/dbraw/zinc/17/96/58/930179658.db2.gz OWKPMHSQHGERGF-UHFFFAOYSA-N 2 0 370.516 3.664 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000046935729 930346225 /nfs/dbraw/zinc/34/62/25/930346225.db2.gz ZCUANRFYZPCBBM-UHFFFAOYSA-N 2 0 371.525 3.892 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190013 930350584 /nfs/dbraw/zinc/35/05/84/930350584.db2.gz BDHZXIDLXPJAIS-JOCHJYFZSA-N 2 0 361.549 3.639 20 0 FHADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000580252518 930405924 /nfs/dbraw/zinc/40/59/24/930405924.db2.gz AMYGPRHJRHQMPJ-WMQCIHAUSA-N 2 0 353.510 3.694 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000580314537 930486219 /nfs/dbraw/zinc/48/62/19/930486219.db2.gz YHEMYLBEWZVHLL-APWZRJJASA-N 2 0 372.475 3.711 20 0 FHADRP Cc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)[NH+](C)C)cc1 ZINC000548086145 930582112 /nfs/dbraw/zinc/58/21/12/930582112.db2.gz SYKBTXFBISNSEV-QFIPXVFZSA-N 2 0 365.521 3.624 20 0 FHADRP C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000580378689 930594693 /nfs/dbraw/zinc/59/46/93/930594693.db2.gz YHMLAJSTQKZLMB-LMVRJCEZSA-N 2 0 371.569 3.570 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000548095344 930674733 /nfs/dbraw/zinc/67/47/33/930674733.db2.gz YOQAMEQNQNFYCV-HSZRJFAPSA-N 2 0 354.538 3.795 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000129769063 930684794 /nfs/dbraw/zinc/68/47/94/930684794.db2.gz RPBSIUXGKUSYMC-NRFANRHFSA-N 2 0 371.569 3.830 20 0 FHADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000580550859 930840129 /nfs/dbraw/zinc/84/01/29/930840129.db2.gz AETMGCNPNKZVMZ-WQFQCULDSA-N 2 0 369.484 3.828 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000047976787 930955173 /nfs/dbraw/zinc/95/51/73/930955173.db2.gz ITABVSCMUXBUEY-JOCHJYFZSA-N 2 0 359.558 3.554 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000471604660 930956354 /nfs/dbraw/zinc/95/63/54/930956354.db2.gz YTQARJBHJXUSRE-CXAGYDPISA-N 2 0 356.341 3.596 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000047978764 930975105 /nfs/dbraw/zinc/97/51/05/930975105.db2.gz GQYDMQPMNSQCLZ-QHCPKHFHSA-N 2 0 371.569 3.616 20 0 FHADRP COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000580813268 931192127 /nfs/dbraw/zinc/19/21/27/931192127.db2.gz ATZVGWCIQMYQJG-HXUWFJFHSA-N 2 0 369.509 3.585 20 0 FHADRP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)n1 ZINC000580876559 931288007 /nfs/dbraw/zinc/28/80/07/931288007.db2.gz SFKXNJMWDVFWFK-FQEVSTJZSA-N 2 0 366.509 3.693 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000580895046 931309893 /nfs/dbraw/zinc/30/98/93/931309893.db2.gz PGDMEQATRLRSIZ-RXVVDRJESA-N 2 0 357.542 3.580 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000581011163 931466360 /nfs/dbraw/zinc/46/63/60/931466360.db2.gz DSEDUAQLTSYGOM-FQEVSTJZSA-N 2 0 351.494 3.579 20 0 FHADRP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000581066923 931537264 /nfs/dbraw/zinc/53/72/64/931537264.db2.gz NATTVBWBQPUXEP-IBGZPJMESA-N 2 0 374.500 3.540 20 0 FHADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000581066924 931537328 /nfs/dbraw/zinc/53/73/28/931537328.db2.gz NATTVBWBQPUXEP-LJQANCHMSA-N 2 0 374.500 3.540 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367756 931655233 /nfs/dbraw/zinc/65/52/33/931655233.db2.gz TVTJBMQTMAGZTH-FUHWJXTLSA-N 2 0 351.560 3.512 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000065976471 931672512 /nfs/dbraw/zinc/67/25/12/931672512.db2.gz PRTULJRZIYVYDW-UHFFFAOYSA-N 2 0 363.509 3.612 20 0 FHADRP C[N@H+](Cc1cn(C[C@@H]2CC[NH+](Cc3ccccc3)C2)nn1)C1CCCCC1 ZINC000656467926 931808135 /nfs/dbraw/zinc/80/81/35/931808135.db2.gz HCDDGHHPHUCLHZ-HXUWFJFHSA-N 2 0 367.541 3.565 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559198 931845095 /nfs/dbraw/zinc/84/50/95/931845095.db2.gz ZYZFBNVRRAVGRC-HKUYNNGSSA-N 2 0 351.494 3.741 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000581336822 931852562 /nfs/dbraw/zinc/85/25/62/931852562.db2.gz HNKKQDCLOBGONQ-FQUBMZHMSA-N 2 0 372.459 3.567 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574047 931924098 /nfs/dbraw/zinc/92/40/98/931924098.db2.gz SDACETHMSDYEPL-ROUUACIJSA-N 2 0 367.493 3.867 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511703596 931924116 /nfs/dbraw/zinc/92/41/16/931924116.db2.gz RDJGUVGHFKEONR-IBGZPJMESA-N 2 0 367.537 3.779 20 0 FHADRP CC[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430577398 931933205 /nfs/dbraw/zinc/93/32/05/931933205.db2.gz UQUGDKBLBYFHQP-NRFANRHFSA-N 2 0 351.494 3.688 20 0 FHADRP COCCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092067005 932027340 /nfs/dbraw/zinc/02/73/40/932027340.db2.gz JUHUVTZMZWPAOA-DENIHFKCSA-N 2 0 358.526 3.551 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689569 932507474 /nfs/dbraw/zinc/50/74/74/932507474.db2.gz XMKORRXDFPTDBN-ZIAGYGMSSA-N 2 0 357.311 3.839 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000581704025 932524257 /nfs/dbraw/zinc/52/42/57/932524257.db2.gz AKHRUABDWABOLD-HXUWFJFHSA-N 2 0 363.465 3.573 20 0 FHADRP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684394291 932528700 /nfs/dbraw/zinc/52/87/00/932528700.db2.gz GWPLRPWCSOTRBH-KSEOMHKRSA-N 2 0 352.526 3.854 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000581734028 932573009 /nfs/dbraw/zinc/57/30/09/932573009.db2.gz XCRUDJFZFNJHTN-ICSRJNTNSA-N 2 0 355.526 3.529 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000581748728 932600788 /nfs/dbraw/zinc/60/07/88/932600788.db2.gz NZFXVYKBAROWJH-RBBKRZOGSA-N 2 0 367.537 3.913 20 0 FHADRP Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000090408339 932881862 /nfs/dbraw/zinc/88/18/62/932881862.db2.gz SZHFBRHCBBUEGH-ZIAGYGMSSA-N 2 0 362.518 3.754 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157635007 933001411 /nfs/dbraw/zinc/00/14/11/933001411.db2.gz LFAOFFYAYHSYQY-QGZVFWFLSA-N 2 0 365.512 3.738 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157635162 933001650 /nfs/dbraw/zinc/00/16/50/933001650.db2.gz LFAOFFYAYHSYQY-KRWDZBQOSA-N 2 0 365.512 3.738 20 0 FHADRP C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000090971276 933108562 /nfs/dbraw/zinc/10/85/62/933108562.db2.gz YKOVSBRHMATTLN-IBGZPJMESA-N 2 0 371.569 3.513 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399141713 933126118 /nfs/dbraw/zinc/12/61/18/933126118.db2.gz VIDBXEOEMPMUKT-RCCFBDPRSA-N 2 0 355.567 3.875 20 0 FHADRP CCc1oc2ccccc2c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000581971022 933147015 /nfs/dbraw/zinc/14/70/15/933147015.db2.gz DZJCRJVNMVAYQO-DFNIBXOVSA-N 2 0 367.537 3.738 20 0 FHADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854960 933155227 /nfs/dbraw/zinc/15/52/27/933155227.db2.gz CPJUATWKYYOETQ-JTHBVZDNSA-N 2 0 365.521 3.817 20 0 FHADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)s1 ZINC000426306792 933231132 /nfs/dbraw/zinc/23/11/32/933231132.db2.gz LNDSUSFTNZKLMH-NVXWUHKLSA-N 2 0 350.576 3.837 20 0 FHADRP CC(C)N1CCc2nc(NC(=O)CC[N@H+](C)C3CCCCC3)sc2C1 ZINC000548392996 933330520 /nfs/dbraw/zinc/33/05/20/933330520.db2.gz VNXWHDKZYTXXQQ-UHFFFAOYSA-N 2 0 364.559 3.503 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650521 933355376 /nfs/dbraw/zinc/35/53/76/933355376.db2.gz KBQJCSJLIYINBK-DHIUTWEWSA-N 2 0 372.553 3.845 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510674981 933398368 /nfs/dbraw/zinc/39/83/68/933398368.db2.gz LMGSLRXVWKAVTQ-IKGGRYGDSA-N 2 0 354.485 3.765 20 0 FHADRP CCCOc1c(Cl)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430930421 933425928 /nfs/dbraw/zinc/42/59/28/933425928.db2.gz AOFMDKGXSFHMRF-UHFFFAOYSA-N 2 0 352.906 3.713 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000430955684 933486584 /nfs/dbraw/zinc/48/65/84/933486584.db2.gz MRLBVYCINCKUBI-JOCHJYFZSA-N 2 0 365.521 3.915 20 0 FHADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000510710711 933486821 /nfs/dbraw/zinc/48/68/21/933486821.db2.gz DTQADYFKYMZOSW-QFIPXVFZSA-N 2 0 352.522 3.501 20 0 FHADRP c1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000430959349 933489777 /nfs/dbraw/zinc/48/97/77/933489777.db2.gz YLKOOWMQUKFQKN-UHFFFAOYSA-N 2 0 373.504 3.510 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000562956378 933515101 /nfs/dbraw/zinc/51/51/01/933515101.db2.gz QTKXGHFXBXABPG-JOCHJYFZSA-N 2 0 354.494 3.577 20 0 FHADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000431042174 933739153 /nfs/dbraw/zinc/73/91/53/933739153.db2.gz DGRJQLYVDFLDAI-CEMLEFRQSA-N 2 0 371.569 3.666 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000431064313 933766328 /nfs/dbraw/zinc/76/63/28/933766328.db2.gz IWCLGWQGKFEXOC-QUCCMNQESA-N 2 0 357.542 3.679 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000431064310 933766460 /nfs/dbraw/zinc/76/64/60/933766460.db2.gz IWCLGWQGKFEXOC-AZUAARDMSA-N 2 0 357.542 3.679 20 0 FHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684556632 933881021 /nfs/dbraw/zinc/88/10/21/933881021.db2.gz BSJOJFAQEZFXGZ-MPJJRAAHSA-N 2 0 364.537 3.688 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000132345875 934041422 /nfs/dbraw/zinc/04/14/22/934041422.db2.gz GYOPHTDTGVIUTN-MAUKXSAKSA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000132345999 934041596 /nfs/dbraw/zinc/04/15/96/934041596.db2.gz GYOPHTDTGVIUTN-YJBOKZPZSA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000092706367 934141094 /nfs/dbraw/zinc/14/10/94/934141094.db2.gz AJQIIXFLJKBVTF-NRFANRHFSA-N 2 0 373.585 3.629 20 0 FHADRP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548486843 934161424 /nfs/dbraw/zinc/16/14/24/934161424.db2.gz MZCKYFAPZYPKRL-AZUAARDMSA-N 2 0 362.521 3.616 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H]([NH+](C)C)CC3)n2)cc1F ZINC000277041904 934464581 /nfs/dbraw/zinc/46/45/81/934464581.db2.gz BVFGCYYMXMFQDR-QGZVFWFLSA-N 2 0 360.477 3.533 20 0 FHADRP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181065264 934526899 /nfs/dbraw/zinc/52/68/99/934526899.db2.gz GKVHBLRLKFVXDK-BBWFWOEESA-N 2 0 357.498 3.710 20 0 FHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000277223722 934815331 /nfs/dbraw/zinc/81/53/31/934815331.db2.gz LOSPPZWWKLEXJF-UYAOXDASSA-N 2 0 362.583 3.653 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000511053900 935100172 /nfs/dbraw/zinc/10/01/72/935100172.db2.gz HIYWTQYROGZCMZ-SFHVURJKSA-N 2 0 357.542 3.665 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657313136 935116211 /nfs/dbraw/zinc/11/62/11/935116211.db2.gz FXUOTGJFNKEMCM-ROUUACIJSA-N 2 0 352.526 3.597 20 0 FHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C(C)(C)C)CC1 ZINC001167543907 935186833 /nfs/dbraw/zinc/18/68/33/935186833.db2.gz GLWQOENRMVOXRI-NRFANRHFSA-N 2 0 371.569 3.540 20 0 FHADRP COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000277463352 935221153 /nfs/dbraw/zinc/22/11/53/935221153.db2.gz LMDVRQIYVVPRLO-FQEVSTJZSA-N 2 0 369.509 3.585 20 0 FHADRP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cc4ccncc4s3)c2)CCO1 ZINC000657328627 935230896 /nfs/dbraw/zinc/23/08/96/935230896.db2.gz BYVQPHHYEFKYES-INIZCTEOSA-N 2 0 367.518 3.807 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000657358620 935347688 /nfs/dbraw/zinc/34/76/88/935347688.db2.gz FNDMYZFOKWFESM-UHFFFAOYSA-N 2 0 352.526 3.963 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000516653567 945100233 /nfs/dbraw/zinc/10/02/33/945100233.db2.gz KEKMKVURZDKNOX-LJQANCHMSA-N 2 0 363.590 3.789 20 0 FHADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)CC[N@H+](C)C3CCCCC3)cccc21 ZINC000548720587 935481655 /nfs/dbraw/zinc/48/16/55/935481655.db2.gz LVULOZVUIUYDCA-IBGZPJMESA-N 2 0 359.514 3.665 20 0 FHADRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cc(Cl)ccc1Cl ZINC000261775674 935532834 /nfs/dbraw/zinc/53/28/34/935532834.db2.gz XIMUJCKBGGVOBS-MRXNPFEDSA-N 2 0 370.324 3.786 20 0 FHADRP CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000647248733 935554319 /nfs/dbraw/zinc/55/43/19/935554319.db2.gz YBJGLYSPRNYXOR-UXHICEINSA-N 2 0 354.494 3.529 20 0 FHADRP CSc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1F ZINC000158466971 935584913 /nfs/dbraw/zinc/58/49/13/935584913.db2.gz XIMAGLGOTJSWFV-HNNXBMFYSA-N 2 0 374.529 3.545 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC000519084217 945110883 /nfs/dbraw/zinc/11/08/83/945110883.db2.gz LQBKCEHUBWPKSD-NRFANRHFSA-N 2 0 359.558 3.655 20 0 FHADRP CC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](CC)CN1C(C)=O ZINC001167568490 935599746 /nfs/dbraw/zinc/59/97/46/935599746.db2.gz UECBRZBCVVMZHC-GOTSBHOMSA-N 2 0 371.569 3.894 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC3 ZINC000657428905 935700404 /nfs/dbraw/zinc/70/04/04/935700404.db2.gz CZBSNEHZWZJIIN-INIZCTEOSA-N 2 0 357.461 3.704 20 0 FHADRP CCc1cccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc21 ZINC000657433437 935725721 /nfs/dbraw/zinc/72/57/21/935725721.db2.gz XCCJPSQXHDFGTK-NRFANRHFSA-N 2 0 364.489 3.852 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000158409234 935778785 /nfs/dbraw/zinc/77/87/85/935778785.db2.gz AOIMSNCRJRMPHT-SFHVURJKSA-N 2 0 364.493 3.664 20 0 FHADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000657452842 935809754 /nfs/dbraw/zinc/80/97/54/935809754.db2.gz KPDBLYTUOPFTSC-SIKLNZKXSA-N 2 0 368.521 3.712 20 0 FHADRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000159201152 935812125 /nfs/dbraw/zinc/81/21/25/935812125.db2.gz VSOKARRTYHCZKZ-HNNXBMFYSA-N 2 0 364.946 3.789 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000564492880 935861023 /nfs/dbraw/zinc/86/10/23/935861023.db2.gz YBIRMVXCLGMGMS-HXUWFJFHSA-N 2 0 359.901 3.916 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000413505578 935862853 /nfs/dbraw/zinc/86/28/53/935862853.db2.gz VBCQAQBQMYXMHY-WIYYLYMNSA-N 2 0 357.542 3.617 20 0 FHADRP CC(C)[C@H](O)C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000582620910 935881814 /nfs/dbraw/zinc/88/18/14/935881814.db2.gz WAYVFJJJFMRZKB-LEWJYISDSA-N 2 0 350.522 3.985 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)C[C@H](C)O1 ZINC000582646449 935905349 /nfs/dbraw/zinc/90/53/49/935905349.db2.gz GUHKQDGZXBSNSA-CALCHBBNSA-N 2 0 365.477 3.727 20 0 FHADRP FC(F)Oc1ccc(Br)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414960086 945135418 /nfs/dbraw/zinc/13/54/18/945135418.db2.gz ABYALROTDPFYPC-CYBMUJFWSA-N 2 0 363.246 3.672 20 0 FHADRP Fc1ccc(CCN2CCC([NH2+]CCc3noc4ccccc43)CC2)cc1 ZINC000657533288 935966250 /nfs/dbraw/zinc/96/62/50/935966250.db2.gz KHPAJTBGNAXDTE-UHFFFAOYSA-N 2 0 367.468 3.806 20 0 FHADRP Fc1ccc(C(F)(F)F)cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535375 935972039 /nfs/dbraw/zinc/97/20/39/935972039.db2.gz MFJNSPZPYSAVGB-UHFFFAOYSA-N 2 0 374.422 3.825 20 0 FHADRP FC(F)(F)c1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536448 935973709 /nfs/dbraw/zinc/97/37/09/935973709.db2.gz JFUHVVXQPUJASU-UHFFFAOYSA-N 2 0 356.432 3.686 20 0 FHADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000657536953 935976596 /nfs/dbraw/zinc/97/65/96/935976596.db2.gz VFRQWEUDVCPDEJ-UHFFFAOYSA-N 2 0 357.325 3.974 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000075007505 936003038 /nfs/dbraw/zinc/00/30/38/936003038.db2.gz BOVDARBAGVSCPG-UHFFFAOYSA-N 2 0 359.489 3.697 20 0 FHADRP CC[C@H](COCC1CC1)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657564142 936032518 /nfs/dbraw/zinc/03/25/18/936032518.db2.gz ZEOLJQOSKAARPT-HXUWFJFHSA-N 2 0 359.558 3.512 20 0 FHADRP C[C@H](CC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000237466454 936071415 /nfs/dbraw/zinc/07/14/15/936071415.db2.gz XLDPHUVSJYCKBZ-LJQANCHMSA-N 2 0 352.522 3.927 20 0 FHADRP CCSc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657597020 936073162 /nfs/dbraw/zinc/07/31/62/936073162.db2.gz QRWDLYWYVFHWKV-FQEVSTJZSA-N 2 0 356.535 3.655 20 0 FHADRP COc1cc(Cl)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1Cl ZINC000582753717 936078354 /nfs/dbraw/zinc/07/83/54/936078354.db2.gz DRCVQDBAOUYXRX-UHFFFAOYSA-N 2 0 363.354 3.919 20 0 FHADRP CCCCOc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596620 936080204 /nfs/dbraw/zinc/08/02/04/936080204.db2.gz PAGSIURZOBIICB-JOCHJYFZSA-N 2 0 368.521 3.722 20 0 FHADRP CC(C)(C)c1nc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000657611963 936092506 /nfs/dbraw/zinc/09/25/06/936092506.db2.gz GJSGXMGQCTZXCP-UHFFFAOYSA-N 2 0 358.555 3.837 20 0 FHADRP FC(F)(F)c1cnc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000657613523 936093394 /nfs/dbraw/zinc/09/33/94/936093394.db2.gz MIXUFRDNLFFOOE-UHFFFAOYSA-N 2 0 370.444 3.559 20 0 FHADRP CCCOc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613303 936093465 /nfs/dbraw/zinc/09/34/65/936093465.db2.gz XPRDIGUPMHJTQL-UHFFFAOYSA-N 2 0 353.510 3.872 20 0 FHADRP c1cc(C[NH+]2CCC(C[NH2+]Cc3ccc(OCC4CC4)cc3)CC2)ccn1 ZINC000657613957 936099917 /nfs/dbraw/zinc/09/99/17/936099917.db2.gz YZPYKJVXQUZFFE-UHFFFAOYSA-N 2 0 365.521 3.872 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264206 936154127 /nfs/dbraw/zinc/15/41/27/936154127.db2.gz VBFAHGSYHMGMOZ-IEBWSBKVSA-N 2 0 372.513 3.539 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294702554 945148462 /nfs/dbraw/zinc/14/84/62/945148462.db2.gz BJVMLYIMPRPHNL-AVOUXACISA-N 2 0 369.431 3.637 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237672463 936197804 /nfs/dbraw/zinc/19/78/04/936197804.db2.gz VXZODVUYAXHCGH-KNQAVFIVSA-N 2 0 371.569 3.705 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582840086 936206046 /nfs/dbraw/zinc/20/60/46/936206046.db2.gz DGHYZTZLNCAZAO-OAHLLOKOSA-N 2 0 353.457 3.538 20 0 FHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1cc(Br)cc2c[nH+]cn21 ZINC001167626846 936207214 /nfs/dbraw/zinc/20/72/14/936207214.db2.gz VRYRUNQYPIQYGV-UHFFFAOYSA-N 2 0 351.292 3.582 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000657702634 936298129 /nfs/dbraw/zinc/29/81/29/936298129.db2.gz LYHPBKJRRFEJGD-OALUTQOASA-N 2 0 354.498 3.792 20 0 FHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150983450 938250649 /nfs/dbraw/zinc/25/06/49/938250649.db2.gz SMRLLCHZMYYMCF-NRFANRHFSA-N 2 0 371.594 3.956 20 0 FHADRP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000583451775 938257090 /nfs/dbraw/zinc/25/70/90/938257090.db2.gz HAHMIYORCAECRZ-YSFYHYPLSA-N 2 0 366.480 3.914 20 0 FHADRP COCC[C@H](c1ccccc1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536034201 938261849 /nfs/dbraw/zinc/26/18/49/938261849.db2.gz BJEOGMJFEAZLOS-XQBPLPMBSA-N 2 0 360.542 3.585 20 0 FHADRP c1nc(C2CC[NH+](CCN3CCCc4ccccc43)CC2)n2c1CCCC2 ZINC000516704821 945161855 /nfs/dbraw/zinc/16/18/55/945161855.db2.gz ZSJHXBMDZXSMPK-UHFFFAOYSA-N 2 0 364.537 3.852 20 0 FHADRP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCc1ccccc1 ZINC000583500439 938281810 /nfs/dbraw/zinc/28/18/10/938281810.db2.gz WZLDHSDBJAEHTN-OYRHEFFESA-N 2 0 366.505 3.706 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706124 938285150 /nfs/dbraw/zinc/28/51/50/938285150.db2.gz DRCFECWOAAZQDI-SRCQZFHVSA-N 2 0 374.859 3.660 20 0 FHADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)s2)cc1 ZINC000650706740 938286603 /nfs/dbraw/zinc/28/66/03/938286603.db2.gz RRCCFQPOLNMRHN-BJLQDIEVSA-N 2 0 371.550 3.837 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)C1 ZINC000650706829 938288604 /nfs/dbraw/zinc/28/86/04/938288604.db2.gz TYRRFWVRRUSKLC-FRFSOERESA-N 2 0 363.552 3.590 20 0 FHADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708777 938291338 /nfs/dbraw/zinc/29/13/38/938291338.db2.gz MDIKRDUZWPNUKB-YDHLFZDLSA-N 2 0 373.360 3.537 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(F)(F)F ZINC000650708958 938291820 /nfs/dbraw/zinc/29/18/20/938291820.db2.gz WRUNFOGSDIEFOQ-BQFCYCMXSA-N 2 0 356.432 3.732 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+]C2CC3(CCC3)C2)c1)C1CCOCC1 ZINC000448074376 938303393 /nfs/dbraw/zinc/30/33/93/938303393.db2.gz MBTIDUPWRUMNOQ-UHFFFAOYSA-N 2 0 358.526 3.599 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(Br)c1 ZINC000650717647 938304672 /nfs/dbraw/zinc/30/46/72/938304672.db2.gz IELSBCSEBSWDCV-LBPRGKRZSA-N 2 0 351.263 3.940 20 0 FHADRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000583569589 938306258 /nfs/dbraw/zinc/30/62/58/938306258.db2.gz FKZHWVKVOZSKNB-UHFFFAOYSA-N 2 0 367.493 3.868 20 0 FHADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000161773601 938307554 /nfs/dbraw/zinc/30/75/54/938307554.db2.gz XFZVJPFMDGOYBH-LJQANCHMSA-N 2 0 365.562 3.676 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647299427 938307870 /nfs/dbraw/zinc/30/78/70/938307870.db2.gz GJIZDGCCBSMKTC-XZOQPEGZSA-N 2 0 367.537 3.915 20 0 FHADRP C[C@@H](N[C@@H](C)c1cc2n(n1)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647299136 938308018 /nfs/dbraw/zinc/30/80/18/938308018.db2.gz FFYRSQJAKPKHDM-WSTZPKSXSA-N 2 0 352.526 3.781 20 0 FHADRP CC(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722407 938309600 /nfs/dbraw/zinc/30/96/00/938309600.db2.gz RYXIFIILWLYYQE-CEMLEFRQSA-N 2 0 360.542 3.972 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3F)o2)C1 ZINC000650722294 938309648 /nfs/dbraw/zinc/30/96/48/938309648.db2.gz OSYWSZULCVSJIM-VMRPVKRXSA-N 2 0 358.457 3.947 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000650723602 938310741 /nfs/dbraw/zinc/31/07/41/938310741.db2.gz QSMZSFSKQJMGFI-XOKHGSTOSA-N 2 0 360.395 3.705 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnc(-c3cccs3)s2)C1 ZINC000650723903 938311118 /nfs/dbraw/zinc/31/11/18/938311118.db2.gz VSXDZPHHMQAOQU-BMFZPTHFSA-N 2 0 363.552 3.732 20 0 FHADRP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246294344 938355726 /nfs/dbraw/zinc/35/57/26/938355726.db2.gz NMNVEKVKIBHIOM-XMGTWHOFSA-N 2 0 371.569 3.524 20 0 FHADRP CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000583690180 938359260 /nfs/dbraw/zinc/35/92/60/938359260.db2.gz HNUJANCZIHRYBA-SFTDATJTSA-N 2 0 365.521 3.666 20 0 FHADRP Fc1ccccc1Oc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000650740675 938361572 /nfs/dbraw/zinc/36/15/72/938361572.db2.gz OCIDXFAYCCRGOJ-CEWLAPEOSA-N 2 0 370.468 3.865 20 0 FHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000650746057 938375314 /nfs/dbraw/zinc/37/53/14/938375314.db2.gz VCCTXHSTPYHYTP-DOTOQJQBSA-N 2 0 350.478 3.553 20 0 FHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583865960 938459004 /nfs/dbraw/zinc/45/90/04/938459004.db2.gz YYSISCBMQXYMTE-WQFQCULDSA-N 2 0 368.525 3.853 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000660538273 945180164 /nfs/dbraw/zinc/18/01/64/945180164.db2.gz NSGKJOWLLBLZDS-KURKYZTESA-N 2 0 358.448 3.632 20 0 FHADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000583964627 938508227 /nfs/dbraw/zinc/50/82/27/938508227.db2.gz VABKQZWNJQPUPL-OAQYLSRUSA-N 2 0 363.509 3.575 20 0 FHADRP Fc1cccc(Br)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813771 938527268 /nfs/dbraw/zinc/52/72/68/938527268.db2.gz ZVZBUBASIBXSMZ-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278554578 938530060 /nfs/dbraw/zinc/53/00/60/938530060.db2.gz WCYPLRDRHCMVAD-KRWDZBQOSA-N 2 0 357.542 3.991 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000657815238 938534043 /nfs/dbraw/zinc/53/40/43/938534043.db2.gz NOHQBCKICKJCLR-AUSIDOKSSA-N 3 0 355.570 3.751 20 0 FHADRP COc1ccc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Cl)c1OC ZINC000584008750 938539755 /nfs/dbraw/zinc/53/97/55/938539755.db2.gz GJOZQSPAINWEPX-UHFFFAOYSA-N 2 0 354.922 3.752 20 0 FHADRP CCOc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414900197 945186048 /nfs/dbraw/zinc/18/60/48/945186048.db2.gz DKMQCMQRLVVIJJ-QGZVFWFLSA-N 2 0 360.420 3.506 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCSCC3)CC2)c1 ZINC000657829605 938603635 /nfs/dbraw/zinc/60/36/35/938603635.db2.gz WWCAPMDLPDIBHB-HXUWFJFHSA-N 2 0 361.599 3.773 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)c(OC)cc2F)CC1 ZINC000584177124 938629894 /nfs/dbraw/zinc/62/98/94/938629894.db2.gz KTDLCBUFYKUEFX-UHFFFAOYSA-N 2 0 352.494 3.787 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000657834764 938632543 /nfs/dbraw/zinc/63/25/43/938632543.db2.gz BJGKGHFQXSUTSF-WMZHIEFXSA-N 2 0 374.569 3.840 20 0 FHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C)s2)cc1 ZINC000127416917 938648895 /nfs/dbraw/zinc/64/88/95/938648895.db2.gz LNOBVBWAHDMQKT-UHFFFAOYSA-N 2 0 373.566 3.627 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C(F)F ZINC000657836878 938660083 /nfs/dbraw/zinc/66/00/83/938660083.db2.gz XATMJGQNOQGKPV-FUHWJXTLSA-N 2 0 353.501 3.635 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000657837034 938667812 /nfs/dbraw/zinc/66/78/12/938667812.db2.gz XJVVMUBSTLLGFN-LJQANCHMSA-N 2 0 371.491 3.644 20 0 FHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000584289837 938672166 /nfs/dbraw/zinc/67/21/66/938672166.db2.gz LUVMRGSWTAOCLH-ICSRJNTNSA-N 2 0 365.521 3.691 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(OCc2ccccc2)c1 ZINC000151788636 938675371 /nfs/dbraw/zinc/67/53/71/938675371.db2.gz VUZDBYCLVGGODR-IBGZPJMESA-N 2 0 368.521 3.621 20 0 FHADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000584307408 938679485 /nfs/dbraw/zinc/67/94/85/938679485.db2.gz JDZQKAVYDQZXSS-MAUKXSAKSA-N 2 0 373.463 3.652 20 0 FHADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[C@]12CCCO2 ZINC000562838737 938831285 /nfs/dbraw/zinc/83/12/85/938831285.db2.gz NJAMZGKCTYWSFQ-FDTLVRFQSA-N 2 0 372.553 3.746 20 0 FHADRP CO[C@H](C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000584414925 938834106 /nfs/dbraw/zinc/83/41/06/938834106.db2.gz OFAQJPBFXZOXIO-WOIUINJBSA-N 2 0 360.542 3.585 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000584426376 938860333 /nfs/dbraw/zinc/86/03/33/938860333.db2.gz NGJBTBTUPJZZMX-ZLNRFVROSA-N 3 0 367.537 3.874 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844185 938883502 /nfs/dbraw/zinc/88/35/02/938883502.db2.gz BTYAYRZYQMZZQK-VGSWGCGISA-N 2 0 356.510 3.574 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C(C)C)cn2)CC1 ZINC000091286992 938899598 /nfs/dbraw/zinc/89/95/98/938899598.db2.gz IUTWSEOQMPYQGC-QFIPXVFZSA-N 2 0 352.526 3.710 20 0 FHADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C2 ZINC000415008355 945215186 /nfs/dbraw/zinc/21/51/86/945215186.db2.gz SKVFVIZACBQPFD-SESVDKBCSA-N 2 0 368.496 3.675 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000093844559 938930916 /nfs/dbraw/zinc/93/09/16/938930916.db2.gz WZJVLVWZOVHTCI-INIZCTEOSA-N 2 0 350.576 3.686 20 0 FHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657889504 938983227 /nfs/dbraw/zinc/98/32/27/938983227.db2.gz YMHQCPDFPMOUII-ICSRJNTNSA-N 2 0 356.554 3.587 20 0 FHADRP C[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000685424675 938985657 /nfs/dbraw/zinc/98/56/57/938985657.db2.gz FCYPFQQNJBQMGC-QAPCUYQASA-N 2 0 369.475 3.567 20 0 FHADRP CCc1oc2ccccc2c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457841 938988016 /nfs/dbraw/zinc/98/80/16/938988016.db2.gz PRTRVBVOQVPVDN-GOSISDBHSA-N 2 0 355.526 3.596 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000685464199 938988803 /nfs/dbraw/zinc/98/88/03/938988803.db2.gz DJWWQWHBGAHNII-YADHBBJMSA-N 2 0 372.553 3.800 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563117 938991563 /nfs/dbraw/zinc/99/15/63/938991563.db2.gz USDXXKGDBJWUTG-ZVDOUQERSA-N 2 0 365.521 3.761 20 0 FHADRP COC1([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000657898936 938993047 /nfs/dbraw/zinc/99/30/47/938993047.db2.gz RVOGFICTGGUACR-LJQANCHMSA-N 2 0 360.542 3.605 20 0 FHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431611922 939000572 /nfs/dbraw/zinc/00/05/72/939000572.db2.gz XPMFAYDGFRNOHN-QFIPXVFZSA-N 2 0 369.553 3.696 20 0 FHADRP CC[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000309684724 939010081 /nfs/dbraw/zinc/01/00/81/939010081.db2.gz FIOKCHZLZJLIEQ-SFHVURJKSA-N 2 0 361.530 3.544 20 0 FHADRP c1cc2n(n1)CCC[C@H]2[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657970838 939013657 /nfs/dbraw/zinc/01/36/57/939013657.db2.gz HXGMJNNQLOATLP-JSXRDJHFSA-N 2 0 350.510 3.608 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000658036975 939020142 /nfs/dbraw/zinc/02/01/42/939020142.db2.gz SRLWPYUNYSBCGU-KRWDZBQOSA-N 2 0 365.477 3.506 20 0 FHADRP C[C@H]([NH2+]CCc1noc2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000658066361 939021485 /nfs/dbraw/zinc/02/14/85/939021485.db2.gz KPFXNOHLKHZMKQ-INIZCTEOSA-N 2 0 353.466 3.662 20 0 FHADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067164 939021581 /nfs/dbraw/zinc/02/15/81/939021581.db2.gz KRFZSXLPLOAKFC-YADHBBJMSA-N 2 0 360.517 3.942 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106797 939027526 /nfs/dbraw/zinc/02/75/26/939027526.db2.gz DAUSAGKTDNDDMI-GJZGRUSLSA-N 2 0 354.608 3.672 20 0 FHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658141469 939035029 /nfs/dbraw/zinc/03/50/29/939035029.db2.gz XDNUBMYIIXJVSE-GGAORHGYSA-N 2 0 350.506 3.729 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141276 939035466 /nfs/dbraw/zinc/03/54/66/939035466.db2.gz SKTBIFSBCSDIKZ-KSSFIOAISA-N 2 0 362.876 3.897 20 0 FHADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137378 939041080 /nfs/dbraw/zinc/04/10/80/939041080.db2.gz GNMCBWBTJLJDSS-DNVCBOLYSA-N 2 0 373.566 3.992 20 0 FHADRP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137447 939041353 /nfs/dbraw/zinc/04/13/53/939041353.db2.gz GVCVSBPXOFDJLN-VGOFRKELSA-N 2 0 356.485 3.503 20 0 FHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138182 939042506 /nfs/dbraw/zinc/04/25/06/939042506.db2.gz NBAMUEHAGXGIGX-HNAYVOBHSA-N 2 0 374.912 3.766 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139551 939042744 /nfs/dbraw/zinc/04/27/44/939042744.db2.gz MZGHPBGPDPLBCK-HNAYVOBHSA-N 2 0 367.518 3.714 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140836 939043299 /nfs/dbraw/zinc/04/32/99/939043299.db2.gz RDWXIKJZZDGBPP-KGVIQGDOSA-N 2 0 368.521 3.544 20 0 FHADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163734 939051906 /nfs/dbraw/zinc/05/19/06/939051906.db2.gz AJRBLZMCSGNIIZ-XMSQKQJNSA-N 2 0 353.510 3.659 20 0 FHADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163729 939052209 /nfs/dbraw/zinc/05/22/09/939052209.db2.gz AJRBLZMCSGNIIZ-AVRDEDQJSA-N 2 0 353.510 3.659 20 0 FHADRP c1c[nH]c([C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CCCCC2)n1 ZINC000658164878 939052572 /nfs/dbraw/zinc/05/25/72/939052572.db2.gz GDNLTDPCZXCDKV-OAQYLSRUSA-N 2 0 367.541 3.928 20 0 FHADRP COc1ncc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000658166089 939053319 /nfs/dbraw/zinc/05/33/19/939053319.db2.gz MHTZFDPQJRRBEP-OAHLLOKOSA-N 2 0 374.916 3.701 20 0 FHADRP Fc1ccc(C2CC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000658166292 939054194 /nfs/dbraw/zinc/05/41/94/939054194.db2.gz NRMLPGOSVQUPNL-UHFFFAOYSA-N 2 0 353.485 3.969 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000658167317 939055064 /nfs/dbraw/zinc/05/50/64/939055064.db2.gz RMXGUAVWYMOUOZ-MRXNPFEDSA-N 2 0 357.473 3.792 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000658212124 939064580 /nfs/dbraw/zinc/06/45/80/939064580.db2.gz IYUBZDUSKJZNNU-UHFFFAOYSA-N 2 0 352.526 3.830 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000658212238 939065366 /nfs/dbraw/zinc/06/53/66/939065366.db2.gz JMYWYTOTBDGFJH-BAGYTPMASA-N 2 0 364.537 3.688 20 0 FHADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316996 939109972 /nfs/dbraw/zinc/10/99/72/939109972.db2.gz HZJNPHGFUYDNCP-VXKWHMMOSA-N 2 0 366.553 3.800 20 0 FHADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366510 939133661 /nfs/dbraw/zinc/13/36/61/939133661.db2.gz RNDRSPWZRHFIQR-FYYLOGMGSA-N 2 0 365.521 3.817 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414970265 945246426 /nfs/dbraw/zinc/24/64/26/945246426.db2.gz HKQZRHUCOPWERU-QZTJIDSGSA-N 2 0 370.459 3.947 20 0 FHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000511363891 940220979 /nfs/dbraw/zinc/22/09/79/940220979.db2.gz ZYVWDNVUCAPWSR-INIZCTEOSA-N 2 0 373.928 3.518 20 0 FHADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000570442114 940310258 /nfs/dbraw/zinc/31/02/58/940310258.db2.gz OMGPADDBKPVAMZ-KJJMTIBFSA-N 2 0 361.493 3.689 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000584504857 940323003 /nfs/dbraw/zinc/32/30/03/940323003.db2.gz UVUHJQRRAKZFNZ-QGZVFWFLSA-N 2 0 367.331 3.984 20 0 FHADRP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000376177193 940422776 /nfs/dbraw/zinc/42/27/76/940422776.db2.gz GAURJKXEJGGWFR-HSZRJFAPSA-N 2 0 365.521 3.592 20 0 FHADRP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(-c2ccnn2C)c1 ZINC000548981452 940427220 /nfs/dbraw/zinc/42/72/20/940427220.db2.gz TWDKLOHYCLJLPO-LJQANCHMSA-N 2 0 354.542 3.853 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000414063552 940474028 /nfs/dbraw/zinc/47/40/28/940474028.db2.gz CVLRJQKEMVYIFC-MRXNPFEDSA-N 2 0 359.539 3.585 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414066256 940474188 /nfs/dbraw/zinc/47/41/88/940474188.db2.gz GZAZUSYBKMDTAX-SLYNCCJLSA-N 2 0 363.977 3.839 20 0 FHADRP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414066252 940474191 /nfs/dbraw/zinc/47/41/91/940474191.db2.gz GZAZUSYBKMDTAX-LMNJBCLMSA-N 2 0 363.977 3.839 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070065 940476549 /nfs/dbraw/zinc/47/65/49/940476549.db2.gz RZHBXJSWDRDZED-PZJWPPBQSA-N 2 0 363.977 3.983 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414068454 940477400 /nfs/dbraw/zinc/47/74/00/940477400.db2.gz BBGJFDNGHQOGSN-QUCCMNQESA-N 2 0 350.934 3.660 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082907 940486560 /nfs/dbraw/zinc/48/65/60/940486560.db2.gz FYVPQQPZKKLUDT-AEFFLSMTSA-N 2 0 359.539 3.698 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122357 940619008 /nfs/dbraw/zinc/61/90/08/940619008.db2.gz NWHUSYSQSFIEIR-CTNGQTDRSA-N 2 0 363.977 3.983 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414147515 940679376 /nfs/dbraw/zinc/67/93/76/940679376.db2.gz WDABTBMLJZDKFJ-YFVAEKQCSA-N 2 0 363.977 3.982 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000613492372 940775090 /nfs/dbraw/zinc/77/50/90/940775090.db2.gz KEIHIYSYKPIMRJ-UHFFFAOYSA-N 2 0 359.558 3.872 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000414226731 940796466 /nfs/dbraw/zinc/79/64/66/940796466.db2.gz VAKBTKMIDFAPFW-QFWMQHCXSA-N 2 0 364.533 3.984 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000414257078 940845004 /nfs/dbraw/zinc/84/50/04/940845004.db2.gz WVGNRCJKLMMMSK-MOXQZVSFSA-N 2 0 374.573 3.613 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000892584953 940852260 /nfs/dbraw/zinc/85/22/60/940852260.db2.gz QAFHAHMEFFQJPC-OKZBNKHCSA-N 2 0 353.551 3.534 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CCC2 ZINC000414293444 940907430 /nfs/dbraw/zinc/90/74/30/940907430.db2.gz BIGKREIXZNEKSF-KRWDZBQOSA-N 2 0 370.562 3.915 20 0 FHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414300430 940915573 /nfs/dbraw/zinc/91/55/73/940915573.db2.gz IXPNLBVEHKBKPV-IBGZPJMESA-N 2 0 370.512 3.764 20 0 FHADRP Cc1ccccc1C[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414304225 940923318 /nfs/dbraw/zinc/92/33/18/940923318.db2.gz LZNPEBNQKTXLDW-FQEVSTJZSA-N 2 0 352.522 3.543 20 0 FHADRP OC1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414306490 940929930 /nfs/dbraw/zinc/92/99/30/940929930.db2.gz OJKZJEUWJUWPNL-HSZRJFAPSA-N 2 0 364.533 3.624 20 0 FHADRP OC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414313309 940945926 /nfs/dbraw/zinc/94/59/26/940945926.db2.gz YCYXUEYZWYWAIX-QFIPXVFZSA-N 2 0 365.521 3.540 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC000414312447 940949071 /nfs/dbraw/zinc/94/90/71/940949071.db2.gz WJLMYOLSSRYVMK-VQTJNVASSA-N 2 0 352.522 3.795 20 0 FHADRP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000658982369 940970119 /nfs/dbraw/zinc/97/01/19/940970119.db2.gz PEORLCIUYDTGAX-LJQANCHMSA-N 2 0 360.546 3.946 20 0 FHADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414332503 940991268 /nfs/dbraw/zinc/99/12/68/940991268.db2.gz VGGQACIAYQARNK-UWJYYQICSA-N 2 0 371.569 3.688 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316195 941012008 /nfs/dbraw/zinc/01/20/08/941012008.db2.gz LJVWDGMAVIMFHI-SFHVURJKSA-N 2 0 370.368 3.988 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316177 941012189 /nfs/dbraw/zinc/01/21/89/941012189.db2.gz LJVWDGMAVIMFHI-GOSISDBHSA-N 2 0 370.368 3.988 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317476 941012419 /nfs/dbraw/zinc/01/24/19/941012419.db2.gz PXYBWSYADSCHMQ-CXAGYDPISA-N 2 0 356.341 3.596 20 0 FHADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414346552 941017005 /nfs/dbraw/zinc/01/70/05/941017005.db2.gz VMNRSLQYGCAYGZ-OALUTQOASA-N 2 0 373.585 3.934 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134379126 941062503 /nfs/dbraw/zinc/06/25/03/941062503.db2.gz IKQGZNIGVUNNSR-KBXCAEBGSA-N 2 0 370.368 3.844 20 0 FHADRP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542972 941062506 /nfs/dbraw/zinc/06/25/06/941062506.db2.gz FLNHUSHSWDKFCR-ZWKOTPCHSA-N 2 0 371.550 3.934 20 0 FHADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C(C)C ZINC000057888859 941066587 /nfs/dbraw/zinc/06/65/87/941066587.db2.gz XNBFJSFTCFKPDI-IBGZPJMESA-N 2 0 351.579 3.608 20 0 FHADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414380825 941073225 /nfs/dbraw/zinc/07/32/25/941073225.db2.gz OXBKQZMRKWGCEU-MOPGFXCFSA-N 2 0 370.459 3.871 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423357778 941091141 /nfs/dbraw/zinc/09/11/41/941091141.db2.gz AREAFVZLXFYUMC-KZNAEPCWSA-N 2 0 367.331 3.776 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369526 941093108 /nfs/dbraw/zinc/09/31/08/941093108.db2.gz FAXLPJNDLZDRCY-QXAKKESOSA-N 2 0 364.493 3.834 20 0 FHADRP COc1cccc2c1OC[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3C)CC1)C2 ZINC000164572304 941123716 /nfs/dbraw/zinc/12/37/16/941123716.db2.gz DSBDLLGEBRCFJI-DBVUQKKJSA-N 2 0 358.526 3.631 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(F)c1 ZINC000187804269 941126624 /nfs/dbraw/zinc/12/66/24/941126624.db2.gz DOKZBMCIMNYTEA-JOCHJYFZSA-N 2 0 355.501 3.814 20 0 FHADRP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479501 941128471 /nfs/dbraw/zinc/12/84/71/941128471.db2.gz RQZGGHQPXBOLEY-PGRDOPGGSA-N 2 0 365.521 3.531 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1)C1CC1 ZINC000511512934 941145988 /nfs/dbraw/zinc/14/59/88/941145988.db2.gz NGBYNOJGJRMDKO-JOCHJYFZSA-N 2 0 365.521 3.704 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000659286945 941147470 /nfs/dbraw/zinc/14/74/70/941147470.db2.gz UBHILLCREKCJID-HTAPYJJXSA-N 2 0 363.505 3.563 20 0 FHADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1O ZINC000178801483 941306490 /nfs/dbraw/zinc/30/64/90/941306490.db2.gz JULUMYQFNRFNOJ-IHWFROFDSA-N 2 0 352.478 3.686 20 0 FHADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000376841153 941448083 /nfs/dbraw/zinc/44/80/83/941448083.db2.gz GKCHFCJXHMKGIE-ACZWYYKOSA-N 2 0 371.525 3.914 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000415012568 941540146 /nfs/dbraw/zinc/54/01/46/941540146.db2.gz JLJLVWGRYLWVIK-SNVBAGLBSA-N 2 0 351.235 3.658 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000415043393 941562135 /nfs/dbraw/zinc/56/21/35/941562135.db2.gz RVCBBKQXARHQGS-SJORKVTESA-N 2 0 356.466 3.713 20 0 FHADRP c1ccc(CC[C@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415052884 941567995 /nfs/dbraw/zinc/56/79/95/941567995.db2.gz LWFHTVXRBVCIRP-WYZYGFAWSA-N 2 0 355.570 3.594 20 0 FHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000549169825 941572324 /nfs/dbraw/zinc/57/23/24/941572324.db2.gz CQYCHSYWNFSNRD-AWEZNQCLSA-N 2 0 365.315 3.545 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056572 941576238 /nfs/dbraw/zinc/57/62/38/941576238.db2.gz SKNQGOMKDQCUDS-CTNGQTDRSA-N 2 0 350.510 3.814 20 0 FHADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000415074257 941589525 /nfs/dbraw/zinc/58/95/25/941589525.db2.gz CDMDJNRGGSWQAH-FXAWDEMLSA-N 2 0 361.493 3.555 20 0 FHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415080851 941592030 /nfs/dbraw/zinc/59/20/30/941592030.db2.gz JVVLJRKGSVDESG-GUXCAODWSA-N 2 0 352.482 3.515 20 0 FHADRP C[C@@H]1C[C@@H](C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]1 ZINC000415082653 941593582 /nfs/dbraw/zinc/59/35/82/941593582.db2.gz DMQSJMDZHJWCBY-CVEARBPZSA-N 2 0 370.459 3.731 20 0 FHADRP [NH3+]C1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000415087184 941596146 /nfs/dbraw/zinc/59/61/46/941596146.db2.gz KPUVPVXDKPRPBG-UHFFFAOYSA-N 2 0 356.432 3.613 20 0 FHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415097802 941602834 /nfs/dbraw/zinc/60/28/34/941602834.db2.gz DNOUUTCDGLDIBN-DNVCBOLYSA-N 2 0 369.475 3.790 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+]C3CCC(C[NH3+])CC3)ccn2)cc1 ZINC000415114706 941612489 /nfs/dbraw/zinc/61/24/89/941612489.db2.gz TYIGFWMBMHWTNA-UHFFFAOYSA-N 2 0 355.482 3.880 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415119580 941614479 /nfs/dbraw/zinc/61/44/79/941614479.db2.gz FRRMDMQTQOLWBM-ZWKOTPCHSA-N 2 0 356.432 3.732 20 0 FHADRP CCCCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415131127 941623853 /nfs/dbraw/zinc/62/38/53/941623853.db2.gz SBWPAAWBFHDNJA-KRWDZBQOSA-N 2 0 367.497 3.663 20 0 FHADRP CC(C)Oc1cccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415132022 941624473 /nfs/dbraw/zinc/62/44/73/941624473.db2.gz KNNGOHCILZHURU-UHFFFAOYSA-N 2 0 367.537 3.557 20 0 FHADRP Cc1cccc(CC[C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415131705 941625262 /nfs/dbraw/zinc/62/52/62/941625262.db2.gz JTOXAYKXYAITIU-OAQYLSRUSA-N 2 0 365.565 3.899 20 0 FHADRP [NH3+]C1(CNCc2ccc(F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415136768 941626216 /nfs/dbraw/zinc/62/62/16/941626216.db2.gz RXENYUNRPSAQLK-UHFFFAOYSA-N 2 0 361.892 3.562 20 0 FHADRP Cc1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(OCC[NH+](C)C)c1 ZINC000415200439 941669506 /nfs/dbraw/zinc/66/95/06/941669506.db2.gz FJOXBBYQWUHBSH-HNNXBMFYSA-N 2 0 356.470 3.599 20 0 FHADRP Cc1cn2cc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)ccc2n1 ZINC000472751397 941679692 /nfs/dbraw/zinc/67/96/92/941679692.db2.gz NSAJQKPMIKUWJJ-QGZVFWFLSA-N 2 0 365.481 3.675 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC000892937979 941716290 /nfs/dbraw/zinc/71/62/90/941716290.db2.gz KAMCGWSJIYICKJ-UHFFFAOYSA-N 2 0 357.445 3.989 20 0 FHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000549246444 941736118 /nfs/dbraw/zinc/73/61/18/941736118.db2.gz XFVOFAYIUFIMNF-HDICACEKSA-N 2 0 369.557 3.732 20 0 FHADRP O=C(CCCC[NH+]1CCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000729368762 941737326 /nfs/dbraw/zinc/73/73/26/941737326.db2.gz LRTHFCMKGNZJDK-NRFANRHFSA-N 2 0 357.542 3.596 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000513204687 941780659 /nfs/dbraw/zinc/78/06/59/941780659.db2.gz USDBFUVAACNPOK-LLBVYWAGSA-N 2 0 369.553 3.704 20 0 FHADRP Cc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000377543963 941795188 /nfs/dbraw/zinc/79/51/88/941795188.db2.gz SSJUKSVXZHYEAO-MRXNPFEDSA-N 2 0 359.539 3.507 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000430013776 941800285 /nfs/dbraw/zinc/80/02/85/941800285.db2.gz RNPHNNOTJHZLRX-UHFFFAOYSA-N 2 0 368.525 3.706 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000167708921 941843154 /nfs/dbraw/zinc/84/31/54/941843154.db2.gz YOEFSLOFNNSYPK-APWZRJJASA-N 2 0 361.530 3.896 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000513336904 941859575 /nfs/dbraw/zinc/85/95/75/941859575.db2.gz XUWLDBUFBWWMDS-HOTGVXAUSA-N 2 0 366.933 3.670 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513337145 941859597 /nfs/dbraw/zinc/85/95/97/941859597.db2.gz CSMUTGXSTDGPJV-FQEVSTJZSA-N 2 0 360.505 3.699 20 0 FHADRP Cn1nccc1-c1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000513349000 941860493 /nfs/dbraw/zinc/86/04/93/941860493.db2.gz ZPDATCBTNGWHGT-SZPZYZBQSA-N 2 0 372.516 3.651 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377650793 941866272 /nfs/dbraw/zinc/86/62/72/941866272.db2.gz NXWICUNLIZZNDM-QFIPXVFZSA-N 2 0 358.526 3.648 20 0 FHADRP C[NH+](C)Cc1cc(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)ccc1F ZINC000513394207 941889009 /nfs/dbraw/zinc/88/90/09/941889009.db2.gz LCLBGRIUAYDRTB-JOCHJYFZSA-N 2 0 364.468 3.751 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000513464926 941942326 /nfs/dbraw/zinc/94/23/26/941942326.db2.gz GPFMJGIFAWWQHR-LJQANCHMSA-N 2 0 367.537 3.779 20 0 FHADRP CC[NH+](CC)Cc1ccccc1-c1noc([C@@H]2CCn3c(c[nH+]c3C)C2)n1 ZINC000377739564 941947848 /nfs/dbraw/zinc/94/78/48/941947848.db2.gz RWWSYGHONYCKHA-MRXNPFEDSA-N 2 0 365.481 3.813 20 0 FHADRP COc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1OCc1ccccc1 ZINC000377784945 941981768 /nfs/dbraw/zinc/98/17/68/941981768.db2.gz QKTXKPINQDLSKI-SFHVURJKSA-N 2 0 363.461 3.644 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513544196 942004724 /nfs/dbraw/zinc/00/47/24/942004724.db2.gz FFWJLPLTITZWNN-UYAOXDASSA-N 2 0 366.505 3.848 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513544194 942004836 /nfs/dbraw/zinc/00/48/36/942004836.db2.gz FFWJLPLTITZWNN-ICSRJNTNSA-N 2 0 366.505 3.848 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]C3)ccc21 ZINC000415790941 942050220 /nfs/dbraw/zinc/05/02/20/942050220.db2.gz QAYHHODVIUZGNO-DZFGPLHGSA-N 2 0 370.541 3.622 20 0 FHADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCC[NH3+])Cc3ccccc3)ccc21 ZINC000415796530 942054055 /nfs/dbraw/zinc/05/40/55/942054055.db2.gz YEYQWZUUVFSNKO-NRFANRHFSA-N 2 0 366.509 3.618 20 0 FHADRP C[C@@H](CCc1ccsc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414302258 942054091 /nfs/dbraw/zinc/05/40/91/942054091.db2.gz KIJQOHCEWLCEGJ-SFHVURJKSA-N 2 0 358.551 3.686 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1OC ZINC000513677867 942070069 /nfs/dbraw/zinc/07/00/69/942070069.db2.gz DCNSGYRLFQLXNQ-KRWDZBQOSA-N 2 0 369.509 3.974 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000414365687 942076513 /nfs/dbraw/zinc/07/65/13/942076513.db2.gz MYYGOOBMDLSVET-UHFFFAOYSA-N 2 0 370.447 3.810 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415898638 942125903 /nfs/dbraw/zinc/12/59/03/942125903.db2.gz IAUTWEUPUHTQQD-UHFFFAOYSA-N 2 0 368.525 3.782 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000415906022 942133069 /nfs/dbraw/zinc/13/30/69/942133069.db2.gz JISYBQFIXUYKAS-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000415906426 942135834 /nfs/dbraw/zinc/13/58/34/942135834.db2.gz KKYCDLIQGUAJIA-LJQANCHMSA-N 2 0 370.497 3.656 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000415906425 942135936 /nfs/dbraw/zinc/13/59/36/942135936.db2.gz KKYCDLIQGUAJIA-IBGZPJMESA-N 2 0 370.497 3.656 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)c1 ZINC000415911380 942145464 /nfs/dbraw/zinc/14/54/64/942145464.db2.gz YDAVAWQGMUPTNW-GOSISDBHSA-N 2 0 358.486 3.594 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000415923496 942152827 /nfs/dbraw/zinc/15/28/27/942152827.db2.gz VGTULYMVULCRFE-OXJNMPFZSA-N 2 0 354.498 3.609 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415935237 942162059 /nfs/dbraw/zinc/16/20/59/942162059.db2.gz RHOCVCJTHVESMH-LAUBAEHRSA-N 2 0 366.509 3.753 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000415936267 942167379 /nfs/dbraw/zinc/16/73/79/942167379.db2.gz SSJLBLUPWCBMEV-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000502048403 942198303 /nfs/dbraw/zinc/19/83/03/942198303.db2.gz XQYZORRJPXBYRO-PZJWPPBQSA-N 2 0 357.542 3.571 20 0 FHADRP CCC[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415958546 942207853 /nfs/dbraw/zinc/20/78/53/942207853.db2.gz NQFSBFXISLKMLE-OAQYLSRUSA-N 2 0 366.509 3.664 20 0 FHADRP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000415981063 942225303 /nfs/dbraw/zinc/22/53/03/942225303.db2.gz UOTOMNUOWQZPBJ-YLJYHZDGSA-N 2 0 366.509 3.568 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000415993581 942238579 /nfs/dbraw/zinc/23/85/79/942238579.db2.gz UBLAOUYXJNZXJY-FQEVSTJZSA-N 2 0 354.498 3.611 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415991529 942242020 /nfs/dbraw/zinc/24/20/20/942242020.db2.gz PTFDKZUWNALPTF-UHFFFAOYSA-N 2 0 374.554 3.843 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000420933630 942261525 /nfs/dbraw/zinc/26/15/25/942261525.db2.gz WKJWEYSUAYDHEG-QFIPXVFZSA-N 2 0 361.549 3.639 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000420975930 942287873 /nfs/dbraw/zinc/28/78/73/942287873.db2.gz GIXCNSIZPFWFFB-UHFFFAOYSA-N 2 0 351.485 3.616 20 0 FHADRP COC(=O)c1oc([C@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501074575 942296342 /nfs/dbraw/zinc/29/63/42/942296342.db2.gz CHCXGASPYHDLDB-INIZCTEOSA-N 2 0 371.481 3.679 20 0 FHADRP COC(=O)c1oc([C@@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501074576 942296486 /nfs/dbraw/zinc/29/64/86/942296486.db2.gz CHCXGASPYHDLDB-MRXNPFEDSA-N 2 0 371.481 3.679 20 0 FHADRP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501135971 942323962 /nfs/dbraw/zinc/32/39/62/942323962.db2.gz AOPXMLYCWMBXNV-MRXNPFEDSA-N 2 0 370.459 3.853 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000502293278 942335832 /nfs/dbraw/zinc/33/58/32/942335832.db2.gz ZWDAAUYRAGSERC-JXFKEZNVSA-N 2 0 350.547 3.899 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC2CC(F)(F)C2)CC1 ZINC000419726610 942356670 /nfs/dbraw/zinc/35/66/70/942356670.db2.gz HKHJEDCFLZLNDT-UHFFFAOYSA-N 2 0 357.876 3.617 20 0 FHADRP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414427103 942373792 /nfs/dbraw/zinc/37/37/92/942373792.db2.gz DVLTVDSOKCGQJE-UHFFFAOYSA-N 2 0 357.464 3.520 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000416150701 942407029 /nfs/dbraw/zinc/40/70/29/942407029.db2.gz LONWVPFNCRFOSS-UNMCSNQZSA-N 2 0 371.569 3.794 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000416150699 942407549 /nfs/dbraw/zinc/40/75/49/942407549.db2.gz LONWVPFNCRFOSS-IRLDBZIGSA-N 2 0 371.569 3.794 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000414828293 942467963 /nfs/dbraw/zinc/46/79/63/942467963.db2.gz ZHDIQXLWTFBBCX-WDEREUQCSA-N 2 0 365.237 3.946 20 0 FHADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000647938307 942487293 /nfs/dbraw/zinc/48/72/93/942487293.db2.gz JIQAMJOFJZEDHC-PKOBYXMFSA-N 2 0 367.493 3.867 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000421366718 942516999 /nfs/dbraw/zinc/51/69/99/942516999.db2.gz DFIQYNHNVCEPLU-UHFFFAOYSA-N 2 0 362.315 3.960 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000513825100 942554913 /nfs/dbraw/zinc/55/49/13/942554913.db2.gz VZRZWQAUJSAMAO-XMSQKQJNSA-N 2 0 367.537 3.950 20 0 FHADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414841443 942566282 /nfs/dbraw/zinc/56/62/82/942566282.db2.gz OIDAVIKEYCQOJW-CQSZACIVSA-N 2 0 360.420 3.506 20 0 FHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000893206518 942595268 /nfs/dbraw/zinc/59/52/68/942595268.db2.gz FUOKXPSHCNZBQW-MGMGXWTDSA-N 2 0 358.526 3.527 20 0 FHADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909462 942601745 /nfs/dbraw/zinc/60/17/45/942601745.db2.gz NKSKROPJKSUSMR-PMACEKPBSA-N 2 0 359.558 3.524 20 0 FHADRP OC1(C[NH2+]C/C=C/c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000414522994 942608068 /nfs/dbraw/zinc/60/80/68/942608068.db2.gz HPBFBMFTRJSJTB-QPJJXVBHSA-N 2 0 372.459 3.595 20 0 FHADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000420299772 942610395 /nfs/dbraw/zinc/61/03/95/942610395.db2.gz UJPUYOIORRNAGX-DYESRHJHSA-N 2 0 351.494 3.734 20 0 FHADRP CCc1ccc(CC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000420302275 942611023 /nfs/dbraw/zinc/61/10/23/942611023.db2.gz BQLFQDAQAOOPHK-LJQANCHMSA-N 2 0 355.551 3.892 20 0 FHADRP Cc1ccccc1OCCCN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420314828 942617843 /nfs/dbraw/zinc/61/78/43/942617843.db2.gz QWKRHICFGBVZCR-OAQYLSRUSA-N 2 0 353.510 3.803 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000420315690 942618328 /nfs/dbraw/zinc/61/83/28/942618328.db2.gz XFAUQHWIVKJJSI-ZBFHGGJFSA-N 2 0 351.450 3.673 20 0 FHADRP COc1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000420317615 942619051 /nfs/dbraw/zinc/61/90/51/942619051.db2.gz NMLMCIJFJQFNNN-SFHVURJKSA-N 2 0 354.494 3.706 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000420316447 942619068 /nfs/dbraw/zinc/61/90/68/942619068.db2.gz YECXVXLDWXIXOG-IPELMVKDSA-N 2 0 363.461 3.673 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341931 942625058 /nfs/dbraw/zinc/62/50/58/942625058.db2.gz OXHUDPOQCSXPRV-YLJYHZDGSA-N 2 0 357.542 3.909 20 0 FHADRP CCN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC000420344775 942626285 /nfs/dbraw/zinc/62/62/85/942626285.db2.gz UOXWIDFNGGYISY-OAQYLSRUSA-N 2 0 365.521 3.657 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328219 942630512 /nfs/dbraw/zinc/63/05/12/942630512.db2.gz ZQGHMLSORAMYLT-SIKLNZKXSA-N 2 0 353.510 3.641 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000420379579 942646205 /nfs/dbraw/zinc/64/62/05/942646205.db2.gz BFJJAEGRBPBQSP-AEFFLSMTSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420377985 942646481 /nfs/dbraw/zinc/64/64/81/942646481.db2.gz TZDBQZAYTIRSGJ-IIDMSEBBSA-N 2 0 367.331 3.601 20 0 FHADRP CC(C)(C)c1cccc(OCCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420380738 942646493 /nfs/dbraw/zinc/64/64/93/942646493.db2.gz CDHOQUXVRJAJAB-IFMALSPDSA-N 2 0 374.569 3.971 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420393680 942653535 /nfs/dbraw/zinc/65/35/35/942653535.db2.gz QPCOOJMIRPVKMX-MZMPZRCHSA-N 2 0 354.441 3.567 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420403441 942662047 /nfs/dbraw/zinc/66/20/47/942662047.db2.gz RMWSMUPKZWQHLH-RXVVDRJESA-N 2 0 351.494 3.632 20 0 FHADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407712 942664484 /nfs/dbraw/zinc/66/44/84/942664484.db2.gz OOCOKSFWDAXBOQ-ROUUACIJSA-N 2 0 367.493 3.724 20 0 FHADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502723881 942696002 /nfs/dbraw/zinc/69/60/02/942696002.db2.gz SGFRUESFLWOYRB-IRLDBZIGSA-N 2 0 360.542 3.702 20 0 FHADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182236877 942698330 /nfs/dbraw/zinc/69/83/30/942698330.db2.gz GIFRCVGLYLTSAP-GOSISDBHSA-N 2 0 369.525 3.606 20 0 FHADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000378404882 942729801 /nfs/dbraw/zinc/72/98/01/942729801.db2.gz QETNLURFFKGQCN-UZLBHIALSA-N 2 0 370.493 3.810 20 0 FHADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000514085066 942735508 /nfs/dbraw/zinc/73/55/08/942735508.db2.gz SNHKZDYRIDIXHY-ZGXWSNOMSA-N 2 0 361.599 3.984 20 0 FHADRP CCC[NH+]1CCC(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000502813338 942764879 /nfs/dbraw/zinc/76/48/79/942764879.db2.gz NYPRSODXAWBQLG-GOSISDBHSA-N 2 0 374.573 3.537 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000502817695 942768454 /nfs/dbraw/zinc/76/84/54/942768454.db2.gz XJAVAFLXBZRELY-RTBURBONSA-N 2 0 374.573 3.535 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCSC(C)C)CC1 ZINC000514138962 942776394 /nfs/dbraw/zinc/77/63/94/942776394.db2.gz VLEZUEIEKFTAKL-MRXNPFEDSA-N 2 0 353.551 3.760 20 0 FHADRP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@H]2CCCO2)cc1)C[C@@H]1CCCO1 ZINC000514198615 942808602 /nfs/dbraw/zinc/80/86/02/942808602.db2.gz DUIDPJBUFSXPHO-SZPZYZBQSA-N 2 0 360.542 3.688 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000514211162 942820654 /nfs/dbraw/zinc/82/06/54/942820654.db2.gz OHJJVEMCHZZVKQ-VDGAXYAQSA-N 2 0 368.949 3.754 20 0 FHADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414849207 942828460 /nfs/dbraw/zinc/82/84/60/942828460.db2.gz XSEHDSSBKUWSML-KRWDZBQOSA-N 2 0 372.484 3.893 20 0 FHADRP CC(=O)N1CC[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000378501728 942831839 /nfs/dbraw/zinc/83/18/39/942831839.db2.gz WNHFFVUSLSXAKB-AVRDEDQJSA-N 2 0 357.542 3.724 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(OC)CCCC3)CC2)cc1 ZINC000421825996 942834087 /nfs/dbraw/zinc/83/40/87/942834087.db2.gz QKYABLNFIHYPKD-SFHVURJKSA-N 2 0 360.542 3.845 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000421829513 942837133 /nfs/dbraw/zinc/83/71/33/942837133.db2.gz IEYQFHZRQQFMSF-HUUCEWRRSA-N 2 0 354.897 3.501 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCO[C@H]1CCCCO1 ZINC000514238521 942853049 /nfs/dbraw/zinc/85/30/49/942853049.db2.gz FMOHEILXSCAQBL-SBHAEUEKSA-N 2 0 360.542 3.666 20 0 FHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)ccc1OC ZINC000183391662 942867993 /nfs/dbraw/zinc/86/79/93/942867993.db2.gz KYBWGEUIXHZHDW-QGZVFWFLSA-N 2 0 370.541 3.849 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH3+])CCCCC1 ZINC000414850411 942871459 /nfs/dbraw/zinc/87/14/59/942871459.db2.gz YYNCWLDVJHFZIB-CYBMUJFWSA-N 2 0 357.420 3.674 20 0 FHADRP C[C@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414559170 942882297 /nfs/dbraw/zinc/88/22/97/942882297.db2.gz PHGVHSRUHBDCQT-HUXGSGHJSA-N 2 0 368.565 3.674 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000273168936 942901081 /nfs/dbraw/zinc/90/10/81/942901081.db2.gz DQJJBAWCRVNQHP-INIZCTEOSA-N 2 0 363.571 3.649 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378569168 942902394 /nfs/dbraw/zinc/90/23/94/942902394.db2.gz PQBFSIWDCPLLSK-IHPCNDPISA-N 2 0 363.505 3.613 20 0 FHADRP C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000503052903 942926766 /nfs/dbraw/zinc/92/67/66/942926766.db2.gz NFYWPGXGLMIPTH-KRWDZBQOSA-N 2 0 368.525 3.722 20 0 FHADRP [NH3+]C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCCCCC1 ZINC000414857305 943029128 /nfs/dbraw/zinc/02/91/28/943029128.db2.gz COVNXRFWDSAZHN-UHFFFAOYSA-N 2 0 363.933 3.586 20 0 FHADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1OCc1cccs1 ZINC000271817799 943055803 /nfs/dbraw/zinc/05/58/03/943055803.db2.gz MJLMZCQVRJRNGJ-UHFFFAOYSA-N 2 0 358.507 3.687 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661879 943133113 /nfs/dbraw/zinc/13/31/13/943133113.db2.gz QOUCWSZIEINVNB-WBVHZDCISA-N 2 0 360.523 3.895 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000414666952 943161348 /nfs/dbraw/zinc/16/13/48/943161348.db2.gz GWKRUDNPKVMNOC-UHFFFAOYSA-N 2 0 354.542 3.660 20 0 FHADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1OCc1ccccc1 ZINC000414672246 943190076 /nfs/dbraw/zinc/19/00/76/943190076.db2.gz NLYUDPQTCHVZQU-QGZVFWFLSA-N 2 0 354.494 3.833 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272664832 943197142 /nfs/dbraw/zinc/19/71/42/943197142.db2.gz IVPWQFADJDKAFI-IRFCIJBXSA-N 2 0 371.569 3.827 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000272774829 943218495 /nfs/dbraw/zinc/21/84/95/943218495.db2.gz UDXTUPQYTZQEMK-UZUQRXQVSA-N 2 0 366.505 3.524 20 0 FHADRP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000584584756 943226810 /nfs/dbraw/zinc/22/68/10/943226810.db2.gz OYMJHLMSWKZJCB-KRWDZBQOSA-N 2 0 352.482 3.564 20 0 FHADRP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422696101 943235197 /nfs/dbraw/zinc/23/51/97/943235197.db2.gz QSIUNCUZLBANSK-FUHWJXTLSA-N 2 0 355.482 3.880 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422700154 943237185 /nfs/dbraw/zinc/23/71/85/943237185.db2.gz BNVQKWXFIWYVMA-INIZCTEOSA-N 2 0 362.477 3.674 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000422705465 943241443 /nfs/dbraw/zinc/24/14/43/943241443.db2.gz CDRHIKYUCIAVBZ-HNNXBMFYSA-N 2 0 366.509 3.828 20 0 FHADRP Clc1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422709433 943243176 /nfs/dbraw/zinc/24/31/76/943243176.db2.gz DGPRIIFHRKLPKY-UYAOXDASSA-N 2 0 358.869 3.564 20 0 FHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710513 943243597 /nfs/dbraw/zinc/24/35/97/943243597.db2.gz FYUNNJFCOFAJJO-NFBKMPQASA-N 2 0 360.505 3.815 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710516 943244017 /nfs/dbraw/zinc/24/40/17/943244017.db2.gz FYUNNJFCOFAJJO-NZQKXSOJSA-N 2 0 360.505 3.815 20 0 FHADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422691484 943246466 /nfs/dbraw/zinc/24/64/66/943246466.db2.gz IKOHDPNWNCJPOG-NJDAHSKKSA-N 2 0 367.493 3.893 20 0 FHADRP c1ccc(OCc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422729988 943248462 /nfs/dbraw/zinc/24/84/62/943248462.db2.gz IWUNOQASBBFJLD-DNVJHFABSA-N 2 0 366.505 3.512 20 0 FHADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272948950 943249249 /nfs/dbraw/zinc/24/92/49/943249249.db2.gz UKWKPNMNEBHDPV-GHTZIAJQSA-N 2 0 369.553 3.665 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734752 943251836 /nfs/dbraw/zinc/25/18/36/943251836.db2.gz TXNNTEPMGWNATK-KSSFIOAISA-N 2 0 356.341 3.675 20 0 FHADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(COC2CCOCC2)c1 ZINC000422715574 943255200 /nfs/dbraw/zinc/25/52/00/943255200.db2.gz SGVLOSFGGMNHOA-RJGXRXQPSA-N 2 0 372.553 3.783 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000416966985 943255578 /nfs/dbraw/zinc/25/55/78/943255578.db2.gz GIGKNHBIRVIEFO-UHFFFAOYSA-N 2 0 374.573 3.577 20 0 FHADRP CC1CC[NH+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431913277 943263643 /nfs/dbraw/zinc/26/36/43/943263643.db2.gz LXAPRXYMYIVDPU-QFIPXVFZSA-N 2 0 371.569 3.799 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000422739053 943265543 /nfs/dbraw/zinc/26/55/43/943265543.db2.gz ZUSHXFKQCOBBIG-UONOGXRCSA-N 2 0 372.431 3.677 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743458 943268834 /nfs/dbraw/zinc/26/88/34/943268834.db2.gz IRHUJOYNUOGLIG-ZDUSSCGKSA-N 2 0 374.326 3.994 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422743964 943268906 /nfs/dbraw/zinc/26/89/06/943268906.db2.gz JHWYMOGVSVGNFB-YCRNBWNJSA-N 2 0 351.538 3.760 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422766814 943274792 /nfs/dbraw/zinc/27/47/92/943274792.db2.gz RIZZUPRTZBEECG-LAUBAEHRSA-N 2 0 372.940 3.936 20 0 FHADRP Brc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422767608 943275264 /nfs/dbraw/zinc/27/52/64/943275264.db2.gz TUNGQZDWCTYJSO-HKUYNNGSSA-N 2 0 373.294 3.795 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000422769309 943276635 /nfs/dbraw/zinc/27/66/35/943276635.db2.gz OPIYSFMMVDYKAN-QVKFZJNVSA-N 2 0 355.482 3.668 20 0 FHADRP c1ccc(OCC2CC2)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766140 943285482 /nfs/dbraw/zinc/28/54/82/943285482.db2.gz LLOWOUHETPDYSW-NZQKXSOJSA-N 2 0 364.489 3.821 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000422800261 943287846 /nfs/dbraw/zinc/28/78/46/943287846.db2.gz AYQVUKZVBUOUEX-ZIAGYGMSSA-N 2 0 372.431 3.677 20 0 FHADRP CCN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422789337 943293488 /nfs/dbraw/zinc/29/34/88/943293488.db2.gz ODTAVIFOKDYPFA-VOQZNFBZSA-N 2 0 353.510 3.687 20 0 FHADRP Cc1ccc([C@@H]([NH2+][C@@H](C)CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422792970 943295139 /nfs/dbraw/zinc/29/51/39/943295139.db2.gz FILCSPZXZOKILR-LAUBAEHRSA-N 2 0 374.550 3.595 20 0 FHADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422822908 943295690 /nfs/dbraw/zinc/29/56/90/943295690.db2.gz BURJVAVMFVILML-UNMCSNQZSA-N 2 0 352.478 3.819 20 0 FHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422823850 943296270 /nfs/dbraw/zinc/29/62/70/943296270.db2.gz MJOFUTCZICIDCK-QHAWAJNXSA-N 2 0 372.534 3.670 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422831281 943298942 /nfs/dbraw/zinc/29/89/42/943298942.db2.gz DKQUGDGMSIBBDI-FGTMMUONSA-N 2 0 362.514 3.503 20 0 FHADRP CCOCc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835270 943299523 /nfs/dbraw/zinc/29/95/23/943299523.db2.gz PDJLSBVRUULHBM-UNMCSNQZSA-N 2 0 352.478 3.569 20 0 FHADRP CCO[C@H](CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000422834118 943299865 /nfs/dbraw/zinc/29/98/65/943299865.db2.gz ZLZHERLDCHEEGQ-KCZVDYSFSA-N 2 0 358.526 3.817 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836859 943300306 /nfs/dbraw/zinc/30/03/06/943300306.db2.gz KSEDREYIRFTFSZ-FUKQBSRTSA-N 2 0 351.538 3.588 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000422836564 943301192 /nfs/dbraw/zinc/30/11/92/943301192.db2.gz KIUXCFMDMLEAIM-ABSDTBQOSA-N 2 0 352.526 3.552 20 0 FHADRP c1cc(OC2CCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422850124 943304782 /nfs/dbraw/zinc/30/47/82/943304782.db2.gz MVHGNLNNLFGMCW-BHDDXSALSA-N 2 0 358.526 3.645 20 0 FHADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422851324 943305616 /nfs/dbraw/zinc/30/56/16/943305616.db2.gz FGMREOHOJXUJFW-PCCBWWKXSA-N 2 0 360.542 3.811 20 0 FHADRP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422855826 943306944 /nfs/dbraw/zinc/30/69/44/943306944.db2.gz FHMBFVPMNJQZEB-BHDDXSALSA-N 2 0 360.542 3.640 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)cc(C(C)(C)C)cc3C)C2)CC1 ZINC000503645011 943308022 /nfs/dbraw/zinc/30/80/22/943308022.db2.gz BNFNNPSKFLJKQU-NRFANRHFSA-N 2 0 357.586 3.813 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c(OC)c1 ZINC000422867464 943311487 /nfs/dbraw/zinc/31/14/87/943311487.db2.gz SIKMKLSRFBWTGJ-SXLOBPIMSA-N 2 0 371.525 3.628 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2c(OC)c1 ZINC000422867462 943311597 /nfs/dbraw/zinc/31/15/97/943311597.db2.gz SIKMKLSRFBWTGJ-MISYRCLQSA-N 2 0 371.525 3.628 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1cnccc1N ZINC000422878907 943314089 /nfs/dbraw/zinc/31/40/89/943314089.db2.gz LGGJFTMSVPQOAV-HNNXBMFYSA-N 2 0 358.917 3.710 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422880434 943314894 /nfs/dbraw/zinc/31/48/94/943314894.db2.gz LUOMTXWVDRKODX-YLJYHZDGSA-N 2 0 357.567 3.955 20 0 FHADRP c1cc2c(s1)CCN([C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)c1ccccc1)C2 ZINC000422880006 943315115 /nfs/dbraw/zinc/31/51/15/943315115.db2.gz LIABITBXZUKHQR-JGUMPVPUSA-N 2 0 367.562 3.720 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422882473 943316442 /nfs/dbraw/zinc/31/64/42/943316442.db2.gz SJAQFZXTZGOTPV-HNNXBMFYSA-N 2 0 369.347 3.604 20 0 FHADRP CC[C@H](C)[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882494 943316580 /nfs/dbraw/zinc/31/65/80/943316580.db2.gz AUXCUNOVXGRTDG-JYLXEMOASA-N 2 0 373.585 3.598 20 0 FHADRP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422884921 943317166 /nfs/dbraw/zinc/31/71/66/943317166.db2.gz FYXJZLMWWHDMCN-PXNSSMCTSA-N 2 0 358.869 3.694 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422886104 943317462 /nfs/dbraw/zinc/31/74/62/943317462.db2.gz WCMMUJNDGDRNHQ-HOTGVXAUSA-N 2 0 357.473 3.785 20 0 FHADRP CCOCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000422889769 943319470 /nfs/dbraw/zinc/31/94/70/943319470.db2.gz QPIGWGZUASRABA-UGKGYDQZSA-N 2 0 358.526 3.819 20 0 FHADRP COc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422890156 943319489 /nfs/dbraw/zinc/31/94/89/943319489.db2.gz RKHJDFYCLOXZAE-FPOVZHCZSA-N 2 0 372.896 3.737 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCOCC1 ZINC000422901971 943325100 /nfs/dbraw/zinc/32/51/00/943325100.db2.gz MALPBOKBHHPIGL-ROUUACIJSA-N 2 0 366.933 3.646 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422909897 943327772 /nfs/dbraw/zinc/32/77/72/943327772.db2.gz PIBAJBZALMDSDM-REWPJTCUSA-N 3 0 357.586 3.699 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422909895 943327828 /nfs/dbraw/zinc/32/78/28/943327828.db2.gz PIBAJBZALMDSDM-NZQKXSOJSA-N 3 0 357.586 3.699 20 0 FHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422909488 943328577 /nfs/dbraw/zinc/32/85/77/943328577.db2.gz OESLTMOPWKHWBD-QMHWCDLVSA-N 2 0 371.569 3.733 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000422917314 943329433 /nfs/dbraw/zinc/32/94/33/943329433.db2.gz FXIPVDXNUORXEK-OXJNMPFZSA-N 2 0 362.901 3.782 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000660152111 943330448 /nfs/dbraw/zinc/33/04/48/943330448.db2.gz ZXEKUOGMRLIINA-UHFFFAOYSA-N 2 0 357.586 3.975 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916845 943330407 /nfs/dbraw/zinc/33/04/07/943330407.db2.gz BQXAAXKXGSDOKM-RRQGHBQHSA-N 2 0 354.897 3.503 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893537 943330830 /nfs/dbraw/zinc/33/08/30/943330830.db2.gz ADOTVVOFXDWIQI-NHCUHLMSSA-N 2 0 366.505 3.786 20 0 FHADRP C[NH2+][C@H]1CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414703618 943331357 /nfs/dbraw/zinc/33/13/57/943331357.db2.gz CNJAWZTWMQWZJX-SFHVURJKSA-N 2 0 358.530 3.667 20 0 FHADRP C[NH2+][C@@H]1CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414703615 943331396 /nfs/dbraw/zinc/33/13/96/943331396.db2.gz CNJAWZTWMQWZJX-GOSISDBHSA-N 2 0 358.530 3.667 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Br ZINC000422928808 943334489 /nfs/dbraw/zinc/33/44/89/943334489.db2.gz MSMBPVTZFLSSSX-STQMWFEESA-N 2 0 362.315 3.893 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000422929740 943335332 /nfs/dbraw/zinc/33/53/32/943335332.db2.gz RHZPASBUDVRZLK-YADHBBJMSA-N 2 0 354.494 3.894 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCSc2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000422936277 943337042 /nfs/dbraw/zinc/33/70/42/943337042.db2.gz BFYXJSDGTSLSKT-SLEUVZQESA-N 2 0 355.345 3.964 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000422936120 943337946 /nfs/dbraw/zinc/33/79/46/943337946.db2.gz IAWBIQKXICHTDS-YLJYHZDGSA-N 2 0 358.869 3.694 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422940166 943339238 /nfs/dbraw/zinc/33/92/38/943339238.db2.gz SEXMQZUXVTYMAR-NSHDSACASA-N 2 0 366.278 3.644 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414705501 943339388 /nfs/dbraw/zinc/33/93/88/943339388.db2.gz FEMYQCJDRAXZOL-GOSISDBHSA-N 2 0 372.557 3.962 20 0 FHADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422940836 943339434 /nfs/dbraw/zinc/33/94/34/943339434.db2.gz JHRXVLGADWUUFC-KNQAVFIVSA-N 2 0 352.478 3.528 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422943455 943344424 /nfs/dbraw/zinc/34/44/24/943344424.db2.gz LNVBIINNBGZKCY-YWZLYKJASA-N 2 0 353.441 3.571 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC(C)C)c2cccs2)CC[NH2+]CC1 ZINC000422943997 943344936 /nfs/dbraw/zinc/34/49/36/943344936.db2.gz LWMFEPWJNNVZMV-CVEARBPZSA-N 2 0 352.544 3.746 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922376 943347035 /nfs/dbraw/zinc/34/70/35/943347035.db2.gz KSNFJGYSYPVYET-QZTJIDSGSA-N 2 0 351.560 3.512 20 0 FHADRP FC(F)Oc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422949828 943347048 /nfs/dbraw/zinc/34/70/48/943347048.db2.gz WSTQKDWWIYXOGF-FXAWDEMLSA-N 2 0 360.404 3.634 20 0 FHADRP COc1cccc(C2([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422958111 943350195 /nfs/dbraw/zinc/35/01/95/943350195.db2.gz OPXIYNOQXMEKLA-FPOVZHCZSA-N 2 0 350.462 3.530 20 0 FHADRP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422973355 943355112 /nfs/dbraw/zinc/35/51/12/943355112.db2.gz ODNDUMBGBFUGQW-KNKQGSTJSA-N 2 0 369.509 3.508 20 0 FHADRP CC[N@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435373785 943355217 /nfs/dbraw/zinc/35/52/17/943355217.db2.gz VMGMSNFLYJVVBT-FQEVSTJZSA-N 2 0 369.509 3.633 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000422978224 943356398 /nfs/dbraw/zinc/35/63/98/943356398.db2.gz YUNSERXFHNMSFP-TUNNFDKTSA-N 2 0 371.525 3.754 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C2CC[NH2+]CC2)o1 ZINC000435377761 943358008 /nfs/dbraw/zinc/35/80/08/943358008.db2.gz AQLYMOPZFQWKKZ-UHFFFAOYSA-N 2 0 350.466 3.625 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000422998162 943360060 /nfs/dbraw/zinc/36/00/60/943360060.db2.gz CKRBNUPCZSCPJC-ZSLQJQOZSA-N 3 0 355.570 3.797 20 0 FHADRP CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000414711104 943362104 /nfs/dbraw/zinc/36/21/04/943362104.db2.gz LWLRQGNXYFDYTO-FQEVSTJZSA-N 2 0 358.530 3.652 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1 ZINC000423012484 943364010 /nfs/dbraw/zinc/36/40/10/943364010.db2.gz DEIBXOVLVUNLQB-VHKYSDTDSA-N 2 0 360.498 3.819 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423012195 943364620 /nfs/dbraw/zinc/36/46/20/943364620.db2.gz KGDHFGSVQSNYID-LXBDKUERSA-N 2 0 366.505 3.719 20 0 FHADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371176 943365029 /nfs/dbraw/zinc/36/50/29/943365029.db2.gz LPKJLUXJVOFTKH-GOEBONIOSA-N 2 0 357.885 3.761 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000435378120 943366695 /nfs/dbraw/zinc/36/66/95/943366695.db2.gz CCJIJXCSCRHHAG-CGTJXYLNSA-N 2 0 358.507 3.505 20 0 FHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423047208 943368328 /nfs/dbraw/zinc/36/83/28/943368328.db2.gz GTNCRMIIVDWLDA-YPAWHYETSA-N 2 0 368.521 3.874 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423048561 943368861 /nfs/dbraw/zinc/36/88/61/943368861.db2.gz WWKQUDUZCIXORZ-DTJCXFNLSA-N 2 0 365.924 3.876 20 0 FHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000435381701 943369545 /nfs/dbraw/zinc/36/95/45/943369545.db2.gz VITGFUUEAUXWGD-PWIZWCRZSA-N 2 0 369.896 3.761 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423027095 943370199 /nfs/dbraw/zinc/37/01/99/943370199.db2.gz CWZDDBNVKIVICJ-IFXJQAMLSA-N 2 0 370.368 3.936 20 0 FHADRP COc1ccc([C@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423025778 943370487 /nfs/dbraw/zinc/37/04/87/943370487.db2.gz MKXATIDCZOHBJP-YADHBBJMSA-N 2 0 353.510 3.970 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[C@H]([NH3+])c4ccccc43)c2)CC1 ZINC000423031712 943372089 /nfs/dbraw/zinc/37/20/89/943372089.db2.gz VGLWEZWKTTWBJY-VXKWHMMOSA-N 2 0 350.510 3.774 20 0 FHADRP CC(C)c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414713238 943373740 /nfs/dbraw/zinc/37/37/40/943373740.db2.gz UDRPPLHLYBJJSF-WIYYLYMNSA-N 2 0 357.542 3.534 20 0 FHADRP CC[N@H+](Cc1ccc(Br)c2cccnc12)[C@H]1CCC[NH2+]CC1 ZINC000435387032 943375013 /nfs/dbraw/zinc/37/50/13/943375013.db2.gz WKCVDVFUVKIFFX-HNNXBMFYSA-N 2 0 362.315 3.961 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000435387079 943375043 /nfs/dbraw/zinc/37/50/43/943375043.db2.gz WVMPJZXMCBLKKJ-UHFFFAOYSA-N 2 0 354.494 3.706 20 0 FHADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040651 943375280 /nfs/dbraw/zinc/37/52/80/943375280.db2.gz HSHYQOUXJWDNGN-JECZMYCTSA-N 2 0 351.897 3.568 20 0 FHADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423057028 943376640 /nfs/dbraw/zinc/37/66/40/943376640.db2.gz GNZQWSQTZBEGHV-OFNKIYASSA-N 2 0 365.521 3.877 20 0 FHADRP FC(F)Oc1ccccc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423073945 943383026 /nfs/dbraw/zinc/38/30/26/943383026.db2.gz SYLNHIPRKQDRCH-UWJYYQICSA-N 2 0 374.431 3.676 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051386 943383593 /nfs/dbraw/zinc/38/35/93/943383593.db2.gz NZBKFTRIOVITLO-HZPDHXFCSA-N 2 0 363.502 3.670 20 0 FHADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049581 943383625 /nfs/dbraw/zinc/38/36/25/943383625.db2.gz KGUIJDUFKNLBGU-WJFTUGDTSA-N 2 0 369.475 3.818 20 0 FHADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423079859 943386522 /nfs/dbraw/zinc/38/65/22/943386522.db2.gz RGQCRMMCOXVUKQ-BRWVUGGUSA-N 2 0 371.447 3.770 20 0 FHADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423079861 943386538 /nfs/dbraw/zinc/38/65/38/943386538.db2.gz RGQCRMMCOXVUKQ-IXDOHACOSA-N 2 0 371.447 3.770 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084194 943388071 /nfs/dbraw/zinc/38/80/71/943388071.db2.gz HPDAYGAOGHEUNE-ZENOOKHLSA-N 2 0 357.325 3.757 20 0 FHADRP CCc1nc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423102848 943390917 /nfs/dbraw/zinc/39/09/17/943390917.db2.gz ACQOAGHMEMHKCF-GUDVDZBRSA-N 2 0 352.526 3.944 20 0 FHADRP CSc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423092093 943391290 /nfs/dbraw/zinc/39/12/90/943391290.db2.gz ANTWJUTZBPWPSM-TZIWHRDSSA-N 2 0 354.519 3.797 20 0 FHADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423114417 943395941 /nfs/dbraw/zinc/39/59/41/943395941.db2.gz VPQHEVWQDJAANI-LVOPCWDJSA-N 2 0 353.510 3.851 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124319 943397716 /nfs/dbraw/zinc/39/77/16/943397716.db2.gz OHPOYGUENCPBRI-CABCVRRESA-N 2 0 350.304 3.723 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423122959 943397958 /nfs/dbraw/zinc/39/79/58/943397958.db2.gz KJZJKJPOYHKSQU-ACESQOTJSA-N 2 0 373.585 3.977 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423127862 943399424 /nfs/dbraw/zinc/39/94/24/943399424.db2.gz PTAADZFSTOYVEQ-YSZBQJHXSA-N 2 0 369.553 3.625 20 0 FHADRP CC[C@@H](C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420330 943400680 /nfs/dbraw/zinc/40/06/80/943400680.db2.gz CQZFUZVHCSLFEW-ICSRJNTNSA-N 2 0 352.526 3.558 20 0 FHADRP CC[C@@H](C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435420329 943400694 /nfs/dbraw/zinc/40/06/94/943400694.db2.gz CQZFUZVHCSLFEW-AZUAARDMSA-N 2 0 352.526 3.558 20 0 FHADRP FC(F)(F)c1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423103700 943401064 /nfs/dbraw/zinc/40/10/64/943401064.db2.gz XVYPEQMOCLHGLY-RXABAKJHSA-N 2 0 368.443 3.698 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423103667 943401092 /nfs/dbraw/zinc/40/10/92/943401092.db2.gz XTUYDENITAJGLK-ZIAGYGMSSA-N 2 0 374.310 3.719 20 0 FHADRP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423103666 943401404 /nfs/dbraw/zinc/40/14/04/943401404.db2.gz XTUYDENITAJGLK-UONOGXRCSA-N 2 0 374.310 3.719 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000423106230 943401813 /nfs/dbraw/zinc/40/18/13/943401813.db2.gz RDTAOJDVHSZTLP-QFBILLFUSA-N 2 0 365.949 3.577 20 0 FHADRP C[C@H](N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH2+]1 ZINC000423112154 943405104 /nfs/dbraw/zinc/40/51/04/943405104.db2.gz XFPMFRMUAUWKMV-SFZRTLEMSA-N 2 0 361.961 3.984 20 0 FHADRP C[C@H](CC1CCOCC1)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426614 943405703 /nfs/dbraw/zinc/40/57/03/943405703.db2.gz JAXWXYHMFJPMNL-AEFFLSMTSA-N 2 0 363.571 3.540 20 0 FHADRP Fc1ccc(CC2([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000423154054 943411857 /nfs/dbraw/zinc/41/18/57/943411857.db2.gz IPEWAMDIYNYWHG-DENIHFKCSA-N 2 0 352.453 3.746 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000423155722 943412329 /nfs/dbraw/zinc/41/23/29/943412329.db2.gz LNMQHTLCDXWJOZ-PKOBYXMFSA-N 2 0 369.534 3.924 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132796 943413602 /nfs/dbraw/zinc/41/36/02/943413602.db2.gz UWKOICLUKSRARL-AOMKIAJQSA-N 2 0 370.541 3.589 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423138989 943416345 /nfs/dbraw/zinc/41/63/45/943416345.db2.gz UTQGMCFXWJKDNX-HSALFYBXSA-N 2 0 374.598 3.954 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414719744 943418509 /nfs/dbraw/zinc/41/85/09/943418509.db2.gz ZMOLTWROBAUBIW-QFIPXVFZSA-N 2 0 370.541 3.668 20 0 FHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167902 943424607 /nfs/dbraw/zinc/42/46/07/943424607.db2.gz GAFDDWCCKWPHMG-KNQAVFIVSA-N 2 0 351.494 3.725 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177372 943427842 /nfs/dbraw/zinc/42/78/42/943427842.db2.gz HJBVHMJWIREAHV-UONOGXRCSA-N 2 0 354.473 3.761 20 0 FHADRP COc1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206038 943430727 /nfs/dbraw/zinc/43/07/27/943430727.db2.gz FPZBOMMNWZBOFH-AVRDEDQJSA-N 2 0 354.494 3.577 20 0 FHADRP COc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206039 943430889 /nfs/dbraw/zinc/43/08/89/943430889.db2.gz FPZBOMMNWZBOFH-GCJKJVERSA-N 2 0 354.494 3.577 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208262 943431526 /nfs/dbraw/zinc/43/15/26/943431526.db2.gz HQTWMMCEWKTHNW-DENIHFKCSA-N 3 0 361.549 3.968 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423219096 943447476 /nfs/dbraw/zinc/44/74/76/943447476.db2.gz WCBQYFWKIMACIK-YOEHRIQHSA-N 2 0 357.523 3.785 20 0 FHADRP CCc1cccc(Cl)c1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000515020660 943449570 /nfs/dbraw/zinc/44/95/70/943449570.db2.gz UZAKMJOTDYEKCH-DFNIBXOVSA-N 2 0 361.961 3.645 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C(C)C)c(Br)c1 ZINC000423243565 943457340 /nfs/dbraw/zinc/45/73/40/943457340.db2.gz GOJPXLYVJUQTSP-GUYCJALGSA-N 2 0 355.320 3.744 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423246408 943458088 /nfs/dbraw/zinc/45/80/88/943458088.db2.gz JYFVGILXAZDHRN-ROUUACIJSA-N 2 0 364.493 3.564 20 0 FHADRP COCCC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000423251354 943459443 /nfs/dbraw/zinc/45/94/43/943459443.db2.gz RVCYCDOFKJESMM-YOEHRIQHSA-N 2 0 355.320 3.506 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCS2 ZINC000423257361 943461506 /nfs/dbraw/zinc/46/15/06/943461506.db2.gz IZZFVVFBNXDTGA-DOMZBBRYSA-N 2 0 355.345 3.965 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000423293909 943475102 /nfs/dbraw/zinc/47/51/02/943475102.db2.gz SMCQBKWONVNEKL-RTBURBONSA-N 3 0 351.538 3.892 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423303206 943477083 /nfs/dbraw/zinc/47/70/83/943477083.db2.gz LISBFJPYPWTTHZ-INIZCTEOSA-N 2 0 355.482 3.679 20 0 FHADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423363663 943491782 /nfs/dbraw/zinc/49/17/82/943491782.db2.gz AEMPAPZHDSNDCY-MRXNPFEDSA-N 2 0 351.494 3.920 20 0 FHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)CC[NH2+]1 ZINC000423383874 943497715 /nfs/dbraw/zinc/49/77/15/943497715.db2.gz PSSXQRHSVCSOCJ-MSIPSHCFSA-N 2 0 355.345 3.962 20 0 FHADRP Clc1ccc(CN2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423384965 943498455 /nfs/dbraw/zinc/49/84/55/943498455.db2.gz LEKDHBWLKIMKIS-UHFFFAOYSA-N 2 0 355.913 3.697 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)[C@@H]3CCC[C@H]32)cc1 ZINC000423391077 943499799 /nfs/dbraw/zinc/49/97/99/943499799.db2.gz PFOUHZZVTNLTMU-KMDXXIMOSA-N 2 0 361.533 3.823 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000423419510 943504457 /nfs/dbraw/zinc/50/44/57/943504457.db2.gz IYHNPIWZAIUUNI-FVQBIDKESA-N 2 0 361.921 3.645 20 0 FHADRP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423406228 943508737 /nfs/dbraw/zinc/50/87/37/943508737.db2.gz KHDAUYQQSFLGPL-MRXNPFEDSA-N 2 0 356.963 3.817 20 0 FHADRP C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cccc(OCC[NH+](C)C)c1 ZINC000423409301 943509110 /nfs/dbraw/zinc/50/91/10/943509110.db2.gz BPNXGAJFAGUSHC-KRWDZBQOSA-N 2 0 353.510 3.836 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423408205 943509240 /nfs/dbraw/zinc/50/92/40/943509240.db2.gz OGCYBDQOWGOXJW-MSOLQXFVSA-N 2 0 370.459 3.947 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC[NH2+]CC1 ZINC000423408534 943509310 /nfs/dbraw/zinc/50/93/10/943509310.db2.gz OUSIAZBIKPSWCC-QGZVFWFLSA-N 2 0 371.550 3.793 20 0 FHADRP COCC1(C[NH2+][C@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC[NH2+]CC1 ZINC000423408867 943509349 /nfs/dbraw/zinc/50/93/49/943509349.db2.gz PFOPSBZFOOFRKN-QGZVFWFLSA-N 2 0 357.542 3.830 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2cccc(OC)c2)c2ccccc2)CC[NH2+]CC1 ZINC000423411237 943510444 /nfs/dbraw/zinc/51/04/44/943510444.db2.gz UCHOPTODGJNEDJ-JOCHJYFZSA-N 2 0 368.521 3.585 20 0 FHADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146470 943523657 /nfs/dbraw/zinc/52/36/57/943523657.db2.gz SEXDDLSVXXIMHD-JLHGSKIFSA-N 2 0 351.494 3.658 20 0 FHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148397 943524003 /nfs/dbraw/zinc/52/40/03/943524003.db2.gz VWCPJVLTDHESQK-QUCCMNQESA-N 2 0 374.573 3.502 20 0 FHADRP CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435627843 943527003 /nfs/dbraw/zinc/52/70/03/943527003.db2.gz OYXNAPKVWZFRAR-CYBMUJFWSA-N 2 0 358.313 3.786 20 0 FHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423479165 943527447 /nfs/dbraw/zinc/52/74/47/943527447.db2.gz LVLPYIKRHYDWGZ-YTQUADARSA-N 2 0 364.505 3.956 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423500199 943530215 /nfs/dbraw/zinc/53/02/15/943530215.db2.gz KELFIYJRZBFJBY-YWZLYKJASA-N 2 0 355.482 3.784 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000423506949 943531528 /nfs/dbraw/zinc/53/15/28/943531528.db2.gz JARWSXBGLURBMW-KKXNLOMOSA-N 2 0 353.510 3.814 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423494469 943536988 /nfs/dbraw/zinc/53/69/88/943536988.db2.gz SDJWTWCRUGVGPY-JLMWRMLUSA-N 2 0 354.494 3.705 20 0 FHADRP CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515884 943542589 /nfs/dbraw/zinc/54/25/89/943542589.db2.gz XNVUTKYUQYPPOI-JTSKRJEESA-N 2 0 355.526 3.540 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423516050 943543361 /nfs/dbraw/zinc/54/33/61/943543361.db2.gz ANPPKSMFXWTTJK-GHGIDHQHSA-N 2 0 372.553 3.939 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1Cl ZINC000423522220 943545947 /nfs/dbraw/zinc/54/59/47/943545947.db2.gz UFBWNMBLXJDETO-NFOMZHRRSA-N 2 0 356.341 3.860 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423524498 943546551 /nfs/dbraw/zinc/54/65/51/943546551.db2.gz JOPZQCGKMUHXTN-OIBXWCBGSA-N 2 0 363.549 3.762 20 0 FHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000423526670 943547262 /nfs/dbraw/zinc/54/72/62/943547262.db2.gz ZVXILLRNSIUVPK-NAVOZUGXSA-N 3 0 363.549 3.967 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCCO2 ZINC000423538436 943550988 /nfs/dbraw/zinc/55/09/88/943550988.db2.gz GJDBBTIVWLBFGD-IARIHHJXSA-N 2 0 365.315 3.641 20 0 FHADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000423548763 943553905 /nfs/dbraw/zinc/55/39/05/943553905.db2.gz DWUIVSBUVCEULB-NRFANRHFSA-N 2 0 355.501 3.860 20 0 FHADRP COc1cc(C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751690 943563005 /nfs/dbraw/zinc/56/30/05/943563005.db2.gz SXLIIHVCAGFMNC-HIFRSBDPSA-N 2 0 354.441 3.649 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000423579362 943563209 /nfs/dbraw/zinc/56/32/09/943563209.db2.gz WAKSGZCMSGUJKB-QGZVFWFLSA-N 2 0 357.929 3.984 20 0 FHADRP NC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423580756 943563674 /nfs/dbraw/zinc/56/36/74/943563674.db2.gz YKXDWGDXLNGNLN-JOCHJYFZSA-N 2 0 367.512 3.786 20 0 FHADRP Cc1ncsc1CN(CCOc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435730254 943573549 /nfs/dbraw/zinc/57/35/49/943573549.db2.gz DCWYRZAPWCLQQY-OAHLLOKOSA-N 2 0 365.930 3.595 20 0 FHADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2Nc2ccccc2)CC1 ZINC000423736619 943612344 /nfs/dbraw/zinc/61/23/44/943612344.db2.gz SQLRQRAWCYPKBX-UHFFFAOYSA-N 2 0 352.482 3.572 20 0 FHADRP CC(C)(C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000423778779 943615410 /nfs/dbraw/zinc/61/54/10/943615410.db2.gz UELLXCYPNDYPCJ-NRFANRHFSA-N 2 0 365.521 3.990 20 0 FHADRP CC(C)(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423804486 943623046 /nfs/dbraw/zinc/62/30/46/943623046.db2.gz YAXWQVRSTJHYEF-OAQYLSRUSA-N 2 0 371.569 3.827 20 0 FHADRP Cc1c[nH]c(CN2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000628298246 943641996 /nfs/dbraw/zinc/64/19/96/943641996.db2.gz ZBWCTKCQADSXLZ-OAQYLSRUSA-N 2 0 352.526 3.841 20 0 FHADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000584827562 943716574 /nfs/dbraw/zinc/71/65/74/943716574.db2.gz NXONSNWUUHNEFQ-AZUAARDMSA-N 2 0 371.550 3.837 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424130208 943757678 /nfs/dbraw/zinc/75/76/78/943757678.db2.gz HCDGFBSCBKFUCY-UYAOXDASSA-N 2 0 351.579 3.693 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000516859970 943774358 /nfs/dbraw/zinc/77/43/58/943774358.db2.gz UHPMBFMMMVGMPP-CTNGQTDRSA-N 2 0 363.590 3.539 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000516907633 943805636 /nfs/dbraw/zinc/80/56/36/943805636.db2.gz VRJQBIKWJKIUSM-LJQANCHMSA-N 2 0 362.558 3.695 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000515373980 943818131 /nfs/dbraw/zinc/81/81/31/943818131.db2.gz NSZTZFRZQYKFRB-NQIIRXRSSA-N 2 0 372.557 3.695 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424369310 943881750 /nfs/dbraw/zinc/88/17/50/943881750.db2.gz BECPGOHMBIJAEX-HNNXBMFYSA-N 2 0 358.917 3.798 20 0 FHADRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000424385207 943893336 /nfs/dbraw/zinc/89/33/36/943893336.db2.gz WDFDKXCSPFLHGJ-AWEZNQCLSA-N 2 0 372.431 3.600 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000424420786 943898379 /nfs/dbraw/zinc/89/83/79/943898379.db2.gz WRLNOPXTOZCIHB-UHFFFAOYSA-N 2 0 360.546 3.818 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)cc1 ZINC000424447667 943919624 /nfs/dbraw/zinc/91/96/24/943919624.db2.gz WLDBCVPXOGXNTP-UHFFFAOYSA-N 2 0 354.498 3.617 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000417878748 943919681 /nfs/dbraw/zinc/91/96/81/943919681.db2.gz PCERUGYDDXFDCE-PZJWPPBQSA-N 2 0 374.573 3.625 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044848 943946914 /nfs/dbraw/zinc/94/69/14/943946914.db2.gz KESLRPYMJBEPJL-ZWKOTPCHSA-N 2 0 355.530 3.566 20 0 FHADRP Cc1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)n(C)n1 ZINC000417904523 943949918 /nfs/dbraw/zinc/94/99/18/943949918.db2.gz VPQVCRXPKHCIBH-UHFFFAOYSA-N 2 0 354.542 3.553 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500059456 944031737 /nfs/dbraw/zinc/03/17/37/944031737.db2.gz MASHWEUOSHPDKV-FYYLOGMGSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC(C)(C)[NH3+] ZINC000414811724 944081688 /nfs/dbraw/zinc/08/16/88/944081688.db2.gz ZXLZIOMGZREPGC-GFCCVEGCSA-N 2 0 351.288 3.697 20 0 FHADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894813 944092360 /nfs/dbraw/zinc/09/23/60/944092360.db2.gz HLUQSSMVVFUCMF-KAGYGMCKSA-N 2 0 369.509 3.583 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000500133551 944150841 /nfs/dbraw/zinc/15/08/41/944150841.db2.gz QEVIWZZOMODUMZ-RBUKOAKNSA-N 2 0 374.573 3.591 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC3CCC3)CC2)CC1 ZINC000418098313 944151791 /nfs/dbraw/zinc/15/17/91/944151791.db2.gz YDJQWNBFFMSMSC-UHFFFAOYSA-N 2 0 371.569 3.752 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436281443 944160316 /nfs/dbraw/zinc/16/03/16/944160316.db2.gz DSOKZEFRVCWCOC-OAHLLOKOSA-N 2 0 352.828 3.805 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000436281971 944161680 /nfs/dbraw/zinc/16/16/80/944161680.db2.gz HTUWDGCWVRZURO-QMCAAQAGSA-N 2 0 370.537 3.609 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000436289626 944175672 /nfs/dbraw/zinc/17/56/72/944175672.db2.gz YCEHGOHNMOGLIR-OQRYQMPQSA-N 2 0 366.496 3.937 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@H](C)C1 ZINC000436289628 944175864 /nfs/dbraw/zinc/17/58/64/944175864.db2.gz YCEHGOHNMOGLIR-UAMLPYHUSA-N 2 0 366.496 3.937 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000515756406 944184728 /nfs/dbraw/zinc/18/47/28/944184728.db2.gz BTIVLBJNHGLOOT-ROUUACIJSA-N 2 0 359.558 3.844 20 0 FHADRP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757373 944185562 /nfs/dbraw/zinc/18/55/62/944185562.db2.gz CKLPQOBRPDEJGS-HSALFYBXSA-N 2 0 373.585 3.805 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NCc2ccccc2C)c1 ZINC000515758573 944186544 /nfs/dbraw/zinc/18/65/44/944186544.db2.gz BOOJDNDOKCJVPL-LJQANCHMSA-N 2 0 367.537 3.631 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000425929083 944204761 /nfs/dbraw/zinc/20/47/61/944204761.db2.gz TZBZIRNQVVAEDB-NFAVZRQZSA-N 2 0 372.553 3.986 20 0 FHADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414881846 944216503 /nfs/dbraw/zinc/21/65/03/944216503.db2.gz SUZFJQYSYFBMFY-STQMWFEESA-N 2 0 351.288 3.554 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000414975328 944264192 /nfs/dbraw/zinc/26/41/92/944264192.db2.gz NWTYNEDTJKDVRU-LEWJYISDSA-N 2 0 360.542 3.716 20 0 FHADRP CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH+](C)C)nc3)cc2)CC1 ZINC000550165973 944320837 /nfs/dbraw/zinc/32/08/37/944320837.db2.gz BQHVFRNLWBUATI-UHFFFAOYSA-N 2 0 366.509 3.627 20 0 FHADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481999 944331269 /nfs/dbraw/zinc/33/12/69/944331269.db2.gz RWQVHVCHBYGMGE-PZJWPPBQSA-N 2 0 363.590 3.659 20 0 FHADRP [NH3+]C1(c2cccc(Cl)c2)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975649 944347307 /nfs/dbraw/zinc/34/73/07/944347307.db2.gz SYIKJDRLQVTMEB-WCRBZPEASA-N 2 0 373.972 3.995 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000500261544 944364367 /nfs/dbraw/zinc/36/43/67/944364367.db2.gz OYQFEQAWKUCOFE-UHFFFAOYSA-N 2 0 369.509 3.721 20 0 FHADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000518426209 944370490 /nfs/dbraw/zinc/37/04/90/944370490.db2.gz CBHPDSZNSOXWKC-RTBURBONSA-N 2 0 361.549 3.685 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000544251395 944371748 /nfs/dbraw/zinc/37/17/48/944371748.db2.gz UYBWSLYMFYIJNB-LJQANCHMSA-N 2 0 374.573 3.592 20 0 FHADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000120807534 944374692 /nfs/dbraw/zinc/37/46/92/944374692.db2.gz NCTXQQAWBDJWGB-IBGZPJMESA-N 2 0 353.510 3.709 20 0 FHADRP CCc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000517537319 944383378 /nfs/dbraw/zinc/38/33/78/944383378.db2.gz OADCPBBVTJWGGR-OAQYLSRUSA-N 2 0 357.567 3.779 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(Cl)ccc32)(N2CCCCC2)CC1 ZINC000506204051 944485815 /nfs/dbraw/zinc/48/58/15/944485815.db2.gz NOVXKRZLRBZPCL-FQEVSTJZSA-N 2 0 361.961 3.867 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981953 944492585 /nfs/dbraw/zinc/49/25/85/944492585.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 2 0 367.581 3.892 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118026 944501750 /nfs/dbraw/zinc/50/17/50/944501750.db2.gz QSBJXNOJTQTLAH-JKSUJKDBSA-N 2 0 351.922 3.685 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759846408 944537207 /nfs/dbraw/zinc/53/72/07/944537207.db2.gz XKNXLJIROCQEAB-LJQANCHMSA-N 2 0 356.913 3.956 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000414996086 944544551 /nfs/dbraw/zinc/54/45/51/944544551.db2.gz OEBSBBIRSDTJIV-CMPLNLGQSA-N 2 0 363.246 3.658 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000414996093 944544828 /nfs/dbraw/zinc/54/48/28/944544828.db2.gz OEBSBBIRSDTJIV-JQWIXIFHSA-N 2 0 363.246 3.658 20 0 FHADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073060 944644488 /nfs/dbraw/zinc/64/44/88/944644488.db2.gz OELIRJFYODUEHH-NHCUHLMSSA-N 2 0 360.542 3.845 20 0 FHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000518720003 944644806 /nfs/dbraw/zinc/64/48/06/944644806.db2.gz OYGLNFSIFKRWKK-OAQYLSRUSA-N 2 0 374.573 3.592 20 0 FHADRP c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270471 944649342 /nfs/dbraw/zinc/64/93/42/944649342.db2.gz RNRWPVQUQMQFDM-JOCHJYFZSA-N 2 0 350.506 3.705 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000418475337 944674612 /nfs/dbraw/zinc/67/46/12/944674612.db2.gz ZBNNQTWYIBVKHH-BJLQDIEVSA-N 2 0 372.557 3.502 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999937 944682902 /nfs/dbraw/zinc/68/29/02/944682902.db2.gz JPFMSBNBBOESFH-SJLPKXTDSA-N 2 0 360.933 3.809 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000414999474 944687980 /nfs/dbraw/zinc/68/79/80/944687980.db2.gz JCFWCLVFFJRUSN-LSDHHAIUSA-N 2 0 353.913 3.551 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000517867070 944745203 /nfs/dbraw/zinc/74/52/03/944745203.db2.gz INLAQQDPMAKJMD-CTNGQTDRSA-N 2 0 369.509 3.616 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)CCC(F)(F)F ZINC000426058584 944765290 /nfs/dbraw/zinc/76/52/90/944765290.db2.gz MFEILWMIQVWJDV-AEFFLSMTSA-N 2 0 363.512 3.893 20 0 FHADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438549752 944776358 /nfs/dbraw/zinc/77/63/58/944776358.db2.gz FUDOFMAPANZCKW-HXUWFJFHSA-N 2 0 373.566 3.581 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000438549244 944777314 /nfs/dbraw/zinc/77/73/14/944777314.db2.gz CPZDEIONPQTVCK-OAQYLSRUSA-N 2 0 357.542 3.552 20 0 FHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438566923 944800859 /nfs/dbraw/zinc/80/08/59/944800859.db2.gz ACXOGVPTFNKXOV-JOCHJYFZSA-N 2 0 369.553 3.696 20 0 FHADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC000426068369 944809557 /nfs/dbraw/zinc/80/95/57/944809557.db2.gz BJAXCSRAKPTXHB-HXUWFJFHSA-N 2 0 368.521 3.673 20 0 FHADRP C[C@H]1CCC[C@@](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000516395543 944814788 /nfs/dbraw/zinc/81/47/88/944814788.db2.gz BNXOGXNGHNCSNZ-WMZHIEFXSA-N 2 0 371.569 3.525 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cs1)c1ccc(C)cc1 ZINC000415004078 944883782 /nfs/dbraw/zinc/88/37/82/944883782.db2.gz NRRVNPKZZLKEKX-DLBZAZTESA-N 2 0 372.538 3.743 20 0 FHADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000093683981 944887684 /nfs/dbraw/zinc/88/76/84/944887684.db2.gz GXXVHPZFGSDYKG-JOCHJYFZSA-N 2 0 368.521 3.666 20 0 FHADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc2c[nH+]cn2c1 ZINC000516495965 944944871 /nfs/dbraw/zinc/94/48/71/944944871.db2.gz ITGWSZAZDVFKFE-UHFFFAOYSA-N 2 0 362.477 3.640 20 0 FHADRP COc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000414944032 944947518 /nfs/dbraw/zinc/94/75/18/944947518.db2.gz OWMUIJTVZAEDKE-UHFFFAOYSA-N 2 0 358.457 3.645 20 0 FHADRP [NH3+]CCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000414896856 944965727 /nfs/dbraw/zinc/96/57/27/944965727.db2.gz AKNQAWOKPGOCIW-UHFFFAOYSA-N 2 0 363.299 3.857 20 0 FHADRP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCCC[NH3+] ZINC000414897160 944984292 /nfs/dbraw/zinc/98/42/92/944984292.db2.gz BANDIFFDQYRIGV-ZDUSSCGKSA-N 2 0 351.288 3.698 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437106109 945027211 /nfs/dbraw/zinc/02/72/11/945027211.db2.gz UUEOXFRAACTGTN-KJXAQDMKSA-N 2 0 363.549 3.795 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000516602042 945045594 /nfs/dbraw/zinc/04/55/94/945045594.db2.gz WKQSOHFFMMPYIK-UHFFFAOYSA-N 2 0 370.884 3.614 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187931498 945054988 /nfs/dbraw/zinc/05/49/88/945054988.db2.gz IOMBQIONJVIKMY-LJQANCHMSA-N 2 0 364.555 3.713 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000415016943 945501441 /nfs/dbraw/zinc/50/14/41/945501441.db2.gz QVXYMCFHARLCHV-SNVBAGLBSA-N 2 0 351.235 3.658 20 0 FHADRP CC(C)(CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967121 945519530 /nfs/dbraw/zinc/51/95/30/945519530.db2.gz CKEFCHLSACTGFW-AYHJJNSGSA-N 2 0 365.562 3.532 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000519654369 945622164 /nfs/dbraw/zinc/62/21/64/945622164.db2.gz SRACPBTWHCIMTB-MSOLQXFVSA-N 2 0 370.928 3.927 20 0 FHADRP c1c2cnccc2oc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000651682224 945648139 /nfs/dbraw/zinc/64/81/39/945648139.db2.gz QLGMCNFZILZWAF-UHFFFAOYSA-N 2 0 364.493 3.520 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443997412 945691692 /nfs/dbraw/zinc/69/16/92/945691692.db2.gz QPQLGVRMNSYFJK-UHFFFAOYSA-N 2 0 372.484 3.943 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705294 945727303 /nfs/dbraw/zinc/72/73/03/945727303.db2.gz NZLXYJQEOFUAAL-WOJBJXKFSA-N 2 0 366.553 3.673 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cnnn2-c2ccccc2)CC1 ZINC000651713489 945743818 /nfs/dbraw/zinc/74/38/18/945743818.db2.gz RVTSZTPJZHFTAN-SFHVURJKSA-N 2 0 361.493 3.583 20 0 FHADRP COc1ccc2c(CC[NH3+])cn(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)c2c1 ZINC001167970532 945779162 /nfs/dbraw/zinc/77/91/62/945779162.db2.gz MJYLOSZOGIWPNT-DFNIBXOVSA-N 2 0 353.510 3.729 20 0 FHADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000519827547 945788867 /nfs/dbraw/zinc/78/88/67/945788867.db2.gz ZDXBEADJCSNRPH-WVUPVLJSSA-N 2 0 368.496 3.514 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000531939735 945797454 /nfs/dbraw/zinc/79/74/54/945797454.db2.gz ZFBFOZSOOORMTP-LJQANCHMSA-N 2 0 357.567 3.896 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519911588 945879321 /nfs/dbraw/zinc/87/93/21/945879321.db2.gz OXFSDCVCDPCWQA-VXKWHMMOSA-N 2 0 371.569 3.525 20 0 FHADRP CCC[NH2+][C@H](C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757356 945888945 /nfs/dbraw/zinc/88/89/45/945888945.db2.gz LKNSUGQTFQRXDY-WIYYLYMNSA-N 2 0 371.569 3.524 20 0 FHADRP C(C1CC1)[NH+]1CCCC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167988607 945903602 /nfs/dbraw/zinc/90/36/02/945903602.db2.gz RPVHBBNLQFRICU-CBQGHPETSA-N 2 0 357.586 3.732 20 0 FHADRP C[N@@H+]1CCC[C@H](CNc2cc(NCC3CC3)ncn2)[C@H]1c1cccs1 ZINC000301809488 945977322 /nfs/dbraw/zinc/97/73/22/945977322.db2.gz CXTATAAZKRFYJQ-BEFAXECRSA-N 2 0 357.527 3.855 20 0 FHADRP CC(C)C1CC[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000444186436 946042034 /nfs/dbraw/zinc/04/20/34/946042034.db2.gz BNTZUYTUDPNMGP-IBGZPJMESA-N 2 0 371.569 3.524 20 0 FHADRP CC1(C)C[NH+](C/C=C\C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)[C@@H]2CCC[C@H]2O1 ZINC000440946273 946042887 /nfs/dbraw/zinc/04/28/87/946042887.db2.gz UHJBJDPLMONNIG-KGTDMUDKSA-N 2 0 362.558 3.606 20 0 FHADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000522891767 946065247 /nfs/dbraw/zinc/06/52/47/946065247.db2.gz HWLOVPKQKVEFIS-JQVVWYNYSA-N 2 0 371.569 3.655 20 0 FHADRP Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301985920 946065924 /nfs/dbraw/zinc/06/59/24/946065924.db2.gz LZLFSVVECKRSJK-ROUUACIJSA-N 2 0 353.510 3.869 20 0 FHADRP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cc(F)ccc2[nH+]1 ZINC000302060086 946102698 /nfs/dbraw/zinc/10/26/98/946102698.db2.gz SMUSAVUNYRLZRT-IBGZPJMESA-N 2 0 365.452 3.861 20 0 FHADRP Cc1[nH+]c2ccccc2c(NCc2ccnc(OCC[NH+](C)C)c2)c1C ZINC000302133401 946136629 /nfs/dbraw/zinc/13/66/29/946136629.db2.gz HHQOQVXDNYXCRG-UHFFFAOYSA-N 2 0 350.466 3.799 20 0 FHADRP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054817 946277889 /nfs/dbraw/zinc/27/78/89/946277889.db2.gz UIQLNLHILPFKQN-MQFRRQCYSA-N 2 0 355.570 3.988 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185845 946306510 /nfs/dbraw/zinc/30/65/10/946306510.db2.gz BLSTXHCXIPNDKU-HJNYFJLDSA-N 2 0 374.569 3.937 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc(C(C)(C)C)c1 ZINC000441185840 946307158 /nfs/dbraw/zinc/30/71/58/946307158.db2.gz BLSTXHCXIPNDKU-CEMLEFRQSA-N 2 0 374.569 3.937 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccc(Cl)cc1 ZINC000441206534 946315917 /nfs/dbraw/zinc/31/59/17/946315917.db2.gz WWRIMLOMKDMIOO-KBAYOESNSA-N 2 0 354.947 3.616 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000042909270 946316612 /nfs/dbraw/zinc/31/66/12/946316612.db2.gz YHLCQBPRFVAUIX-UHFFFAOYSA-N 2 0 374.573 3.637 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc2ccccc21 ZINC000441250393 946346120 /nfs/dbraw/zinc/34/61/20/946346120.db2.gz QMFOWGWYRATSPK-KJXAQDMKSA-N 2 0 368.521 3.792 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259921 946356832 /nfs/dbraw/zinc/35/68/32/946356832.db2.gz FEURSESXMYFVET-NRSPTQNISA-N 2 0 360.542 3.546 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1(C)C ZINC000441332168 946464085 /nfs/dbraw/zinc/46/40/85/946464085.db2.gz LHGXCHKRWJOONO-UHFFFAOYSA-N 2 0 361.530 3.670 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1)c1ccccc1 ZINC000475155151 946499471 /nfs/dbraw/zinc/49/94/71/946499471.db2.gz MHIDOXCWCOENOF-LJQANCHMSA-N 2 0 373.928 3.584 20 0 FHADRP CC[N@H+](CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000652237592 946516883 /nfs/dbraw/zinc/51/68/83/946516883.db2.gz UPIGDBUZTUSFOJ-NZQKXSOJSA-N 2 0 372.601 3.926 20 0 FHADRP C[C@@H]1CC(N2CCC[C@@H]2C[NH+]2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059330 946670328 /nfs/dbraw/zinc/67/03/28/946670328.db2.gz DNFSGCUWVCAEDL-KCZVDYSFSA-N 2 0 355.570 3.988 20 0 FHADRP C[C@H]1CC([NH+]2CCC(N3CCCC3=O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059360 946692131 /nfs/dbraw/zinc/69/21/31/946692131.db2.gz TWHKKJACLWEQPE-OALUTQOASA-N 2 0 369.553 3.515 20 0 FHADRP CC1CC[NH+](Cc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000119451145 946784280 /nfs/dbraw/zinc/78/42/80/946784280.db2.gz VQGSBGFXIONBLU-NRFANRHFSA-N 2 0 351.494 3.947 20 0 FHADRP c1ccc(CN2CCCO[C@H](C[N@@H+]3CCC[C@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877813 946810720 /nfs/dbraw/zinc/81/07/20/946810720.db2.gz ZMNQRIACFCTGGG-RJGXRXQPSA-N 2 0 372.553 3.559 20 0 FHADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475287416 946825083 /nfs/dbraw/zinc/82/50/83/946825083.db2.gz OJADNISDQUYALF-AZUAARDMSA-N 2 0 362.521 3.996 20 0 FHADRP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975045 946859155 /nfs/dbraw/zinc/85/91/55/946859155.db2.gz IYHZJHYKKMDYLM-ZWKOTPCHSA-N 2 0 357.542 3.634 20 0 FHADRP C(O[C@@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)C1CC1 ZINC001167994012 946875427 /nfs/dbraw/zinc/87/54/27/946875427.db2.gz WLROAASWGDFJKK-ONFDHFMWSA-N 2 0 358.570 3.919 20 0 FHADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347797 946877966 /nfs/dbraw/zinc/87/79/66/946877966.db2.gz MHPXRUOJRNZUJW-FSZRXZPDSA-N 2 0 367.331 3.728 20 0 FHADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182270744 946887691 /nfs/dbraw/zinc/88/76/91/946887691.db2.gz WUDJJKGJOSRKLO-AVRDEDQJSA-N 2 0 368.521 3.891 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3Oc3cccnc3)C2)C1 ZINC000652349020 946888211 /nfs/dbraw/zinc/88/82/11/946888211.db2.gz ZBEYQMFRYMOGQG-WOIUINJBSA-N 2 0 367.493 3.592 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349621 946890570 /nfs/dbraw/zinc/89/05/70/946890570.db2.gz VWEGSEIOUWECAQ-LULLPPNCSA-N 2 0 355.482 3.621 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994677 946913317 /nfs/dbraw/zinc/91/33/17/946913317.db2.gz KBEPLRFMCXFYGZ-ZYGDZFMBSA-N 2 0 353.554 3.771 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000652355497 946916405 /nfs/dbraw/zinc/91/64/05/946916405.db2.gz ZKNDNEVGIZOJGZ-DYESRHJHSA-N 2 0 351.494 3.888 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000543875281 946976472 /nfs/dbraw/zinc/97/64/72/946976472.db2.gz RODQLPHNPKJTFD-KDURUIRLSA-N 2 0 351.579 3.610 20 0 FHADRP COc1cccc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167995803 947031015 /nfs/dbraw/zinc/03/10/15/947031015.db2.gz QJNFMSVZXCLFSS-QNLWVQNGSA-N 2 0 370.537 3.944 20 0 FHADRP CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063829 947036297 /nfs/dbraw/zinc/03/62/97/947036297.db2.gz NNUWMWFMYULJDB-KOUHRCEDSA-N 2 0 358.526 3.703 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192923548 947105377 /nfs/dbraw/zinc/10/53/77/947105377.db2.gz YJDBHSLVYXDJRG-GHTZIAJQSA-N 2 0 368.521 3.747 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000192932057 947114873 /nfs/dbraw/zinc/11/48/73/947114873.db2.gz ARACWDNJWBCAQQ-FQEVSTJZSA-N 2 0 354.494 3.706 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825416710 947183778 /nfs/dbraw/zinc/18/37/78/947183778.db2.gz LLLFLALPGARHRW-MRXNPFEDSA-N 2 0 364.497 3.559 20 0 FHADRP Brc1cccc2c(NCCCC[NH+]3CCOCC3)ccnc12 ZINC000301144705 947202127 /nfs/dbraw/zinc/20/21/27/947202127.db2.gz ADPHECGCDLQEIZ-UHFFFAOYSA-N 2 0 364.287 3.522 20 0 FHADRP CCOc1c(Cl)cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000245781455 947222442 /nfs/dbraw/zinc/22/24/42/947222442.db2.gz UJQZQXGDDRFWFI-WMLDXEAASA-N 2 0 354.922 3.909 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000245961836 947230096 /nfs/dbraw/zinc/23/00/96/947230096.db2.gz YGVOWOUTBZOSSA-CEQLMSFQSA-N 2 0 360.542 3.603 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000248458058 947288786 /nfs/dbraw/zinc/28/87/86/947288786.db2.gz UIWYNXUTNIOEGN-RXVVDRJESA-N 2 0 367.537 3.560 20 0 FHADRP CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000301433334 947341680 /nfs/dbraw/zinc/34/16/80/947341680.db2.gz QDJJKJCHOYGTEA-SJORKVTESA-N 2 0 367.493 3.701 20 0 FHADRP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C1 ZINC000188592912 947495729 /nfs/dbraw/zinc/49/57/29/947495729.db2.gz MEMISBUKBQQFHL-WOJBJXKFSA-N 2 0 371.525 3.654 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccccc21 ZINC000523703108 947529405 /nfs/dbraw/zinc/52/94/05/947529405.db2.gz OGJGLUPXRMKWBN-IBGZPJMESA-N 2 0 368.525 3.720 20 0 FHADRP FC(F)(F)c1cc(Cl)cc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000189046302 947586308 /nfs/dbraw/zinc/58/63/08/947586308.db2.gz IJUGPZKRCPLCBU-UHFFFAOYSA-N 2 0 350.812 3.561 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189044482 947611705 /nfs/dbraw/zinc/61/17/05/947611705.db2.gz FCCXAFNJRYMPIX-SFHVURJKSA-N 2 0 358.505 3.815 20 0 FHADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000523838765 947659837 /nfs/dbraw/zinc/65/98/37/947659837.db2.gz IPJYGKMVYIXFAE-KNQAVFIVSA-N 2 0 371.569 3.839 20 0 FHADRP C[N@H+](Cc1ccc(Br)s1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248736 947671420 /nfs/dbraw/zinc/67/14/20/947671420.db2.gz IZJOVFJALSSKJB-UHFFFAOYSA-N 2 0 351.313 3.788 20 0 FHADRP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254950 947675314 /nfs/dbraw/zinc/67/53/14/947675314.db2.gz CCOHTEBJHRKUMM-XLIONFOSSA-N 2 0 366.505 3.876 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1 ZINC000165186970 947703948 /nfs/dbraw/zinc/70/39/48/947703948.db2.gz GBZXMMRGZLNNCY-WGDIFIGCSA-N 2 0 374.550 3.605 20 0 FHADRP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)ccc1F ZINC000662291611 947713702 /nfs/dbraw/zinc/71/37/02/947713702.db2.gz JEDMSBRMXZCGRI-CRAIPNDOSA-N 2 0 372.488 3.957 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)ccc1F ZINC000662291612 947713869 /nfs/dbraw/zinc/71/38/69/947713869.db2.gz JEDMSBRMXZCGRI-MAUKXSAKSA-N 2 0 372.488 3.957 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)ccc1F ZINC000662291614 947715261 /nfs/dbraw/zinc/71/52/61/947715261.db2.gz JEDMSBRMXZCGRI-YJBOKZPZSA-N 2 0 372.488 3.957 20 0 FHADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)on2)cc1 ZINC000662296397 947724243 /nfs/dbraw/zinc/72/42/43/947724243.db2.gz ZKBBAQLAGCWONU-SFHVURJKSA-N 2 0 355.482 3.562 20 0 FHADRP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Cl)c1 ZINC000662313724 947746298 /nfs/dbraw/zinc/74/62/98/947746298.db2.gz YJLRILSSRBTKJX-RHSMWYFYSA-N 2 0 351.922 3.735 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)cc1F ZINC000662313637 947747919 /nfs/dbraw/zinc/74/79/19/947747919.db2.gz KDTZSBACXJNTKR-VQIMIIECSA-N 2 0 374.504 3.956 20 0 FHADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328645 947759282 /nfs/dbraw/zinc/75/92/82/947759282.db2.gz SMNAQRHBJWQQBA-VGSWGCGISA-N 2 0 374.573 3.651 20 0 FHADRP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327444 947759831 /nfs/dbraw/zinc/75/98/31/947759831.db2.gz JLHXPZSBDISITR-UHFFFAOYSA-N 2 0 358.917 3.910 20 0 FHADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327337 947760135 /nfs/dbraw/zinc/76/01/35/947760135.db2.gz NWAXXKDGGSYIRR-HNNXBMFYSA-N 2 0 356.489 3.956 20 0 FHADRP c1ccc(COc2cccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c2)nc1 ZINC000663347765 947819410 /nfs/dbraw/zinc/81/94/10/947819410.db2.gz UTYHGCICXQWRIW-OAQYLSRUSA-N 2 0 365.521 3.872 20 0 FHADRP CC(C)C[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)[NH2+][C@H](C)c1ccccc1 ZINC000662454104 947824502 /nfs/dbraw/zinc/82/45/02/947824502.db2.gz IYISPTPLAHTPBO-XLIONFOSSA-N 2 0 365.521 3.785 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662675901 947974077 /nfs/dbraw/zinc/97/40/77/947974077.db2.gz QGEDEZUWHWMXGF-QGZVFWFLSA-N 2 0 363.505 3.959 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663466972 948057421 /nfs/dbraw/zinc/05/74/21/948057421.db2.gz CIHBXWQEJZZYMD-MJGOQNOKSA-N 2 0 372.557 3.989 20 0 FHADRP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000663472231 948068990 /nfs/dbraw/zinc/06/89/90/948068990.db2.gz ZVUGFSKESQUFTL-MVBMGLOESA-N 2 0 367.537 3.531 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001167821146 948078290 /nfs/dbraw/zinc/07/82/90/948078290.db2.gz BVLDFHMROGMSIT-FXAWDEMLSA-N 2 0 363.571 3.687 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001167822229 948086730 /nfs/dbraw/zinc/08/67/30/948086730.db2.gz HUNFPQIOMBCXEL-AZUAARDMSA-N 2 0 352.563 3.547 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)CC(=O)N(C)c1ccccc12 ZINC001167823466 948099826 /nfs/dbraw/zinc/09/98/26/948099826.db2.gz CRHAFMWDTUSFQF-IBGZPJMESA-N 2 0 371.569 3.897 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824227 948104048 /nfs/dbraw/zinc/10/40/48/948104048.db2.gz CTOKMZMXKSOMHN-ROUUACIJSA-N 2 0 355.567 3.734 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001167824264 948106785 /nfs/dbraw/zinc/10/67/85/948106785.db2.gz GKDCVOFVVWGKDM-IPMKNSEASA-N 2 0 364.603 3.550 20 0 FHADRP CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167825530 948119184 /nfs/dbraw/zinc/11/91/84/948119184.db2.gz JVFDTGGPRXZHCP-OAHLLOKOSA-N 2 0 352.544 3.793 20 0 FHADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000663500474 948119212 /nfs/dbraw/zinc/11/92/12/948119212.db2.gz SSPQBEPYWMLLMW-GFCCVEGCSA-N 2 0 351.235 3.514 20 0 FHADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000520495002 948124097 /nfs/dbraw/zinc/12/40/97/948124097.db2.gz DPPDLXJEQQZWRN-QFIPXVFZSA-N 2 0 371.569 3.799 20 0 FHADRP Cc1cccc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168001802 948130481 /nfs/dbraw/zinc/13/04/81/948130481.db2.gz HXRGRUKOZMLENW-JKWVGCSGSA-N 2 0 355.526 3.639 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827024 948134680 /nfs/dbraw/zinc/13/46/80/948134680.db2.gz RLILMRDYTXAXTK-YLJYHZDGSA-N 2 0 363.571 3.687 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001167827286 948141294 /nfs/dbraw/zinc/14/12/94/948141294.db2.gz VPXGFDCKJFGPAF-QGZVFWFLSA-N 2 0 355.567 3.828 20 0 FHADRP C[NH+]1CCC(C[NH2+]C/C=C\c2ccc(F)c(F)c2)(N2CCCCC2)CC1 ZINC000512005229 948165306 /nfs/dbraw/zinc/16/53/06/948165306.db2.gz GHLWEKSAITYJKY-WAYWQWQTSA-N 2 0 363.496 3.518 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)CC1 ZINC000512005293 948166323 /nfs/dbraw/zinc/16/63/23/948166323.db2.gz CXOHGXYGXDNVCT-UHFFFAOYSA-N 2 0 350.462 3.679 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643533231 948194752 /nfs/dbraw/zinc/19/47/52/948194752.db2.gz VPTQCKBOBORDFX-COXVUDFISA-N 2 0 355.320 3.776 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000549623530 948219828 /nfs/dbraw/zinc/21/98/28/948219828.db2.gz BJWGHVGUISYIRE-NHCUHLMSSA-N 2 0 356.510 3.632 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001167833367 948220974 /nfs/dbraw/zinc/22/09/74/948220974.db2.gz AJTYVMXPDHSBNM-QUCCMNQESA-N 2 0 350.547 3.950 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001167833424 948224111 /nfs/dbraw/zinc/22/41/11/948224111.db2.gz BCDCIFMHZPFNSJ-OKZBNKHCSA-N 2 0 355.567 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001167833441 948225036 /nfs/dbraw/zinc/22/50/36/948225036.db2.gz BJVBSJNWBSDAKO-AZUAARDMSA-N 2 0 357.542 3.617 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001167833583 948229307 /nfs/dbraw/zinc/22/93/07/948229307.db2.gz CSMHGSFZTLFHJI-MSOLQXFVSA-N 2 0 355.567 3.876 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167833946 948242201 /nfs/dbraw/zinc/24/22/01/948242201.db2.gz GGMGZINNHDLRPV-KZNAEPCWSA-N 2 0 355.567 3.732 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624380 948256282 /nfs/dbraw/zinc/25/62/82/948256282.db2.gz JGATYKZOBMKTBM-DWJNZPNVSA-N 2 0 350.506 3.535 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2cc(Cl)ccc2OC)CC1 ZINC001167836819 948307757 /nfs/dbraw/zinc/30/77/57/948307757.db2.gz HQBGHTDVRIRMLX-QGZVFWFLSA-N 2 0 367.965 3.981 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001167837776 948311630 /nfs/dbraw/zinc/31/16/30/948311630.db2.gz MOCDMMBVQZTVFH-VJANTYMQSA-N 2 0 352.563 3.939 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001167839549 948315782 /nfs/dbraw/zinc/31/57/82/948315782.db2.gz ZYPAMRMZLMXOSN-FHWLQOOXSA-N 2 0 367.578 3.686 20 0 FHADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152375036 948438257 /nfs/dbraw/zinc/43/82/57/948438257.db2.gz YRFSCSKDHLRIMY-PKOBYXMFSA-N 2 0 352.526 3.932 20 0 FHADRP CC[NH+](CC)CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000520629742 948447586 /nfs/dbraw/zinc/44/75/86/948447586.db2.gz AQIXANWZWDFQJQ-UHFFFAOYSA-N 2 0 360.546 3.914 20 0 FHADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC000512135095 948514300 /nfs/dbraw/zinc/51/43/00/948514300.db2.gz FJKVRENFVOJTQM-IHWYPQMZSA-N 2 0 371.475 3.515 20 0 FHADRP c1ccc(CC2CC[NH+](CCCC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000247155772 948554008 /nfs/dbraw/zinc/55/40/08/948554008.db2.gz XMHCUKQOHFUEBE-ZEQRLZLVSA-N 3 0 369.597 3.938 20 0 FHADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663693895 948650044 /nfs/dbraw/zinc/65/00/44/948650044.db2.gz BMFBESWEDWJTKF-PKOBYXMFSA-N 2 0 369.484 3.655 20 0 FHADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536484736 948730821 /nfs/dbraw/zinc/73/08/21/948730821.db2.gz CYJRYGWBBLYNKY-LJQANCHMSA-N 2 0 371.569 3.668 20 0 FHADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3nc(C)c(C)o3)CC1)CC2 ZINC000162739742 948763375 /nfs/dbraw/zinc/76/33/75/948763375.db2.gz AWEUAKHWDYGOOX-OAQYLSRUSA-N 2 0 369.509 3.789 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000563117070 568220280 /nfs/dbraw/zinc/22/02/80/568220280.db2.gz SLOYUFKLPRZPEN-JOCHJYFZSA-N 2 0 365.521 3.663 20 0 FHADRP Cc1ccc(F)c(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000604891072 568381901 /nfs/dbraw/zinc/38/19/01/568381901.db2.gz DWUSJXFSJLCFNE-UHFFFAOYSA-N 2 0 355.501 3.826 20 0 FHADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000736194549 599308102 /nfs/dbraw/zinc/30/81/02/599308102.db2.gz AMCUDUZYLATJPP-KRWDZBQOSA-N 2 0 368.529 3.516 20 0 FHADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584746 609333007 /nfs/dbraw/zinc/33/30/07/609333007.db2.gz GFIYQZLXRHVBRB-INIZCTEOSA-N 2 0 374.508 3.703 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@@H]21 ZINC001165026582 721801957 /nfs/dbraw/zinc/80/19/57/721801957.db2.gz RHLZPJDUZKBEGD-NBHGPNQESA-N 2 0 361.493 3.695 20 0 FHADRP CC1CC[NH+](Cc2cccc(C[NH2+]C3CCC4(CC3)OCCO4)c2)CC1 ZINC000161463674 936315798 /nfs/dbraw/zinc/31/57/98/936315798.db2.gz DDDUCFHUVQSNLJ-UHFFFAOYSA-N 2 0 358.526 3.694 20 0 FHADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000261807981 936317463 /nfs/dbraw/zinc/31/74/63/936317463.db2.gz VHOBQUQLHKJBLP-UHFFFAOYSA-N 2 0 358.313 3.644 20 0 FHADRP CC(C)(C)OC(=O)C1(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CCC([NH3+])CC1 ZINC001167643311 936331571 /nfs/dbraw/zinc/33/15/71/936331571.db2.gz XWZFFEWLHKFLCY-JGCRXCKMSA-N 2 0 359.514 3.505 20 0 FHADRP CC(C)(C)OC(=O)C1(Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)CCC([NH3+])CC1 ZINC001167643524 936334195 /nfs/dbraw/zinc/33/41/95/936334195.db2.gz BHAYAGGZELVPEC-PDDLGQBUSA-N 2 0 373.541 3.547 20 0 FHADRP C[N@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C1CCCCC1 ZINC001204599333 936344872 /nfs/dbraw/zinc/34/48/72/936344872.db2.gz WZWSIWAAZLAOOJ-UHFFFAOYSA-N 2 0 366.347 3.623 20 0 FHADRP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121764958 936349309 /nfs/dbraw/zinc/34/93/09/936349309.db2.gz ADBRQPMYVXVQEI-KRWDZBQOSA-N 2 0 369.513 3.781 20 0 FHADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583005202 936365762 /nfs/dbraw/zinc/36/57/62/936365762.db2.gz ORZZVLPOKNWWMJ-RJCAOGMDSA-N 2 0 369.431 3.637 20 0 FHADRP NC1(C[NH2+][C@@H]2CCCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000643544700 927383235 /nfs/dbraw/zinc/38/32/35/927383235.db2.gz AERUDSJJTIRYIU-HSZRJFAPSA-N 2 0 363.549 3.517 20 0 FHADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cc1 ZINC000579776685 927388288 /nfs/dbraw/zinc/38/82/88/927388288.db2.gz ZNBASJDDOFADJS-QAPCUYQASA-N 2 0 358.448 3.635 20 0 FHADRP CC[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000510072561 927674195 /nfs/dbraw/zinc/67/41/95/927674195.db2.gz PTOSWPLHVBREOT-HMXCVIKNSA-N 2 0 359.558 3.524 20 0 FHADRP CCN1CC[C@H](NCCC[NH+](CC)CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000583207472 937238008 /nfs/dbraw/zinc/23/80/08/937238008.db2.gz QZXDDAMEYCQERC-PKOBYXMFSA-N 2 0 357.464 3.561 20 0 FHADRP CC(C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000109116929 928406718 /nfs/dbraw/zinc/40/67/18/928406718.db2.gz FHGYIZXZLWANRE-JOCHJYFZSA-N 2 0 371.569 3.769 20 0 FHADRP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157682980 928430289 /nfs/dbraw/zinc/43/02/89/928430289.db2.gz PAPFVHYAAMTGRJ-MBSDFSHPSA-N 2 0 369.553 3.511 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000154303929 928711071 /nfs/dbraw/zinc/71/10/71/928711071.db2.gz JPJTUJGOUREFLJ-KRWDZBQOSA-N 2 0 372.582 3.797 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000154484500 928860912 /nfs/dbraw/zinc/86/09/12/928860912.db2.gz URBHEDGPMYTKCO-GOSISDBHSA-N 2 0 367.990 3.884 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000154495225 928861375 /nfs/dbraw/zinc/86/13/75/928861375.db2.gz UZKFYRZZBUDINL-ZWKOTPCHSA-N 2 0 374.598 3.796 20 0 FHADRP CCC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000179658562 928914808 /nfs/dbraw/zinc/91/48/08/928914808.db2.gz SIVMGSPKCCESES-QFIPXVFZSA-N 2 0 371.569 3.620 20 0 FHADRP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978090 929095643 /nfs/dbraw/zinc/09/56/43/929095643.db2.gz YYKBHOAFCWHVGH-PMOQBDJRSA-N 2 0 352.522 3.653 20 0 FHADRP CCC[NH+]1CCC([NH2+]CC2(c3cccc(Br)c3)CC2)CC1 ZINC000120210519 929294469 /nfs/dbraw/zinc/29/44/69/929294469.db2.gz XYIJANAVXFPWQS-UHFFFAOYSA-N 2 0 351.332 3.945 20 0 FHADRP Cc1ccc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180077833 929352803 /nfs/dbraw/zinc/35/28/03/929352803.db2.gz LIRRKDPAAVEXLA-QHCPKHFHSA-N 2 0 351.538 3.700 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180131371 929379379 /nfs/dbraw/zinc/37/93/79/929379379.db2.gz HWUCCMSUVPOKQL-UTKZUKDTSA-N 2 0 358.505 3.750 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC000180177670 929400435 /nfs/dbraw/zinc/40/04/35/929400435.db2.gz OFEXLNXDWCZOQJ-QFIPXVFZSA-N 2 0 355.501 3.814 20 0 FHADRP [NH3+]C1CCN(c2cccc(N(Cc3ccccn3)C3CCCCC3)[nH+]2)CC1 ZINC001167101834 929407246 /nfs/dbraw/zinc/40/72/46/929407246.db2.gz JFRDAGRVDQIZTN-UHFFFAOYSA-N 2 0 365.525 3.743 20 0 FHADRP CC1(C)CC(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC(C)(C)[NH2+]1 ZINC000180157362 929409008 /nfs/dbraw/zinc/40/90/08/929409008.db2.gz IAQWBIPVEBNOGE-HLAWJBBLSA-N 2 0 355.570 3.796 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154898320 929472138 /nfs/dbraw/zinc/47/21/38/929472138.db2.gz KFSXUCYGPAQXDJ-SJORKVTESA-N 2 0 372.582 3.713 20 0 FHADRP Cc1ccc(C)c([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180437681 929511150 /nfs/dbraw/zinc/51/11/50/929511150.db2.gz RKBBXIHTGNLHHK-YKSBVNFPSA-N 2 0 365.565 3.866 20 0 FHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736295 929691372 /nfs/dbraw/zinc/69/13/72/929691372.db2.gz WJOMDMRTGZCXEI-FQEVSTJZSA-N 2 0 359.558 3.994 20 0 FHADRP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000647288605 937390623 /nfs/dbraw/zinc/39/06/23/937390623.db2.gz IGYBRTIMTBSPBN-LAUBAEHRSA-N 2 0 359.583 3.544 20 0 FHADRP C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000580127477 930287398 /nfs/dbraw/zinc/28/73/98/930287398.db2.gz NOFGYHGQCRNYFC-UHFFFAOYSA-N 2 0 366.431 3.665 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000312735748 930367296 /nfs/dbraw/zinc/36/72/96/930367296.db2.gz WWPCZDUQWIPEEY-DEOSSOPVSA-N 2 0 363.549 3.558 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000580357131 930567436 /nfs/dbraw/zinc/56/74/36/930567436.db2.gz XYJQTDMSGWTKOK-UHFFFAOYSA-N 2 0 361.839 3.522 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC(CC[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000580439678 930682169 /nfs/dbraw/zinc/68/21/69/930682169.db2.gz NAMVFOHOSHXHSR-GOSISDBHSA-N 2 0 374.573 3.666 20 0 FHADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939417 930685945 /nfs/dbraw/zinc/68/59/45/930685945.db2.gz WAMNPSQAVRJHOJ-QLFBSQMISA-N 2 0 355.979 3.509 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252476467 930810050 /nfs/dbraw/zinc/81/00/50/930810050.db2.gz YOCQIGFQYWNCAR-QEJZJMRPSA-N 2 0 353.304 3.735 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000047978479 930966930 /nfs/dbraw/zinc/96/69/30/930966930.db2.gz JUWPWZBVFMDIST-NRFANRHFSA-N 2 0 370.537 3.633 20 0 FHADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000564850825 931171758 /nfs/dbraw/zinc/17/17/58/931171758.db2.gz ZBJWPEYUXJKDPI-LJQANCHMSA-N 2 0 370.459 3.605 20 0 FHADRP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)n2)c1 ZINC000580827828 931235239 /nfs/dbraw/zinc/23/52/39/931235239.db2.gz RNQKTBXTQLLWFL-OKZBNKHCSA-N 2 0 374.916 3.833 20 0 FHADRP CSC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000580943679 931385413 /nfs/dbraw/zinc/38/54/13/931385413.db2.gz MWCZJIOLIAMTSR-FQEVSTJZSA-N 2 0 374.594 3.791 20 0 FHADRP CSC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000580943680 931385909 /nfs/dbraw/zinc/38/59/09/931385909.db2.gz MWCZJIOLIAMTSR-HXUWFJFHSA-N 2 0 374.594 3.791 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOc2ccccc2)cc1 ZINC000656406682 931603394 /nfs/dbraw/zinc/60/33/94/931603394.db2.gz VXAODDJTKGHXQT-IGABQKFOSA-N 2 0 362.517 3.908 20 0 FHADRP CC(C)C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000581136476 931610976 /nfs/dbraw/zinc/61/09/76/931610976.db2.gz WWCITVPGIXEPBE-RXVVDRJESA-N 2 0 374.573 3.522 20 0 FHADRP CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167454295 931831026 /nfs/dbraw/zinc/83/10/26/931831026.db2.gz SDGVYXKBPFJLAC-JOCHJYFZSA-N 2 0 371.569 3.684 20 0 FHADRP C[N@H+](Cc1csc(Br)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000123935821 931978454 /nfs/dbraw/zinc/97/84/54/931978454.db2.gz IKYDXSQSUAMNMQ-UHFFFAOYSA-N 2 0 351.313 3.788 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000581596082 932291767 /nfs/dbraw/zinc/29/17/67/932291767.db2.gz RYCGATVQKOQZGU-UGKGYDQZSA-N 2 0 371.569 3.586 20 0 FHADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000656683228 932324033 /nfs/dbraw/zinc/32/40/33/932324033.db2.gz KEVATYYVSBPBEU-HXUWFJFHSA-N 2 0 357.448 3.849 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccsc2)c1)C1CCOCC1 ZINC000076399915 932377005 /nfs/dbraw/zinc/37/70/05/932377005.db2.gz FJIBHQTXKXHURL-UHFFFAOYSA-N 2 0 360.523 3.528 20 0 FHADRP COc1sc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656782794 932411684 /nfs/dbraw/zinc/41/16/84/932411684.db2.gz JTNNSVZCEPSGDG-CYBMUJFWSA-N 2 0 373.360 3.731 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784554 932419164 /nfs/dbraw/zinc/41/91/64/932419164.db2.gz DXCIPZBTOZUAPE-HXUWFJFHSA-N 2 0 352.526 3.701 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656786580 932421406 /nfs/dbraw/zinc/42/14/06/932421406.db2.gz UUHIQPKIBZVNPY-INIZCTEOSA-N 2 0 354.441 3.508 20 0 FHADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214458 932898133 /nfs/dbraw/zinc/89/81/33/932898133.db2.gz SQIMPILONSDVPP-HNNXBMFYSA-N 2 0 371.447 3.698 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000510500370 933091767 /nfs/dbraw/zinc/09/17/67/933091767.db2.gz JEZMEFACBHUJID-IBGZPJMESA-N 2 0 357.542 3.918 20 0 FHADRP CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963945 933125992 /nfs/dbraw/zinc/12/59/92/933125992.db2.gz SUXCAIFNPMRIHC-FXAWDEMLSA-N 2 0 369.509 3.735 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H](C[NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000430737565 933189942 /nfs/dbraw/zinc/18/99/42/933189942.db2.gz ISBQWTGWOLNUHN-RXVVDRJESA-N 2 0 365.521 3.509 20 0 FHADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000430922139 933420121 /nfs/dbraw/zinc/42/01/21/933420121.db2.gz XPCBKAQZQRDXGA-JOCHJYFZSA-N 2 0 359.558 3.555 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430945956 933462092 /nfs/dbraw/zinc/46/20/92/933462092.db2.gz YUFFHIHIINAVPP-SJORKVTESA-N 2 0 351.494 3.740 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430956415 933485601 /nfs/dbraw/zinc/48/56/01/933485601.db2.gz OKOKJAVLEHIOFQ-IAGOWNOFSA-N 2 0 367.493 3.865 20 0 FHADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430962255 933503336 /nfs/dbraw/zinc/50/33/36/933503336.db2.gz GWDRZLQWVAFTHC-NRFANRHFSA-N 2 0 371.569 3.579 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747793 933639504 /nfs/dbraw/zinc/63/95/04/933639504.db2.gz FRGKDZLHBNOEKX-WMZHIEFXSA-N 2 0 369.528 3.839 20 0 FHADRP CCC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000431065369 933755931 /nfs/dbraw/zinc/75/59/31/933755931.db2.gz IREDCYAKZZFALR-UHFFFAOYSA-N 2 0 351.494 3.903 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl)N1CC[NH+](C)CC1 ZINC000132303984 934033493 /nfs/dbraw/zinc/03/34/93/934033493.db2.gz OILMLEXMBGKOLW-KSSFIOAISA-N 2 0 358.357 3.916 20 0 FHADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1F ZINC000092568632 934089553 /nfs/dbraw/zinc/08/95/53/934089553.db2.gz VQIOIFLCJBJXLB-UHFFFAOYSA-N 2 0 364.505 3.877 20 0 FHADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000277124744 934538055 /nfs/dbraw/zinc/53/80/55/934538055.db2.gz IBJKITICPQOZHT-AWEZNQCLSA-N 2 0 358.313 3.738 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1O ZINC000426170933 945070721 /nfs/dbraw/zinc/07/07/21/945070721.db2.gz FKEPUWYGKDFDLU-HNNXBMFYSA-N 2 0 360.473 3.712 20 0 FHADRP COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2c1 ZINC000074721472 934566597 /nfs/dbraw/zinc/56/65/97/934566597.db2.gz RQGGXQXRLHALRE-KRWDZBQOSA-N 2 0 354.494 3.718 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181210571 934600607 /nfs/dbraw/zinc/60/06/07/934600607.db2.gz WMUWYBUQQGLIIA-KRWDZBQOSA-N 2 0 359.514 3.959 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000236634050 934755877 /nfs/dbraw/zinc/75/58/77/934755877.db2.gz ODLANPDOQVYRKI-IBGZPJMESA-N 2 0 371.569 3.561 20 0 FHADRP C[C@@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236660131 934759599 /nfs/dbraw/zinc/75/95/99/934759599.db2.gz NZHDPHVROXVEMP-KSEOMHKRSA-N 2 0 371.569 3.602 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000236727568 934768541 /nfs/dbraw/zinc/76/85/41/934768541.db2.gz AFRCQTQXQOIBEA-OAQYLSRUSA-N 2 0 353.510 3.625 20 0 FHADRP CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236756327 934770578 /nfs/dbraw/zinc/77/05/78/934770578.db2.gz VQQRYMONIDTYSQ-QFIPXVFZSA-N 2 0 365.521 3.662 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000090605567 934966635 /nfs/dbraw/zinc/96/66/35/934966635.db2.gz RJUDKMKNMUHDSR-SVMVAKDDSA-N 2 0 360.542 3.632 20 0 FHADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657299026 935008309 /nfs/dbraw/zinc/00/83/09/935008309.db2.gz ZDQJXPHZPPPKIP-QHCPKHFHSA-N 2 0 366.505 3.740 20 0 FHADRP COCc1csc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000657301204 935023380 /nfs/dbraw/zinc/02/33/80/935023380.db2.gz VSNUNQUFVVHDSD-IAGOWNOFSA-N 2 0 374.550 3.794 20 0 FHADRP CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060877123 935049718 /nfs/dbraw/zinc/04/97/18/935049718.db2.gz QYMWJMWKJCSPQK-NRFANRHFSA-N 2 0 371.569 3.799 20 0 FHADRP CCN(CC)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccsc1 ZINC000657308618 935075145 /nfs/dbraw/zinc/07/51/45/935075145.db2.gz UWZWYEVXECHEPB-IBGZPJMESA-N 2 0 355.511 3.502 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000657311229 935086551 /nfs/dbraw/zinc/08/65/51/935086551.db2.gz IMBXVPPETTXKMJ-AWEZNQCLSA-N 2 0 354.336 3.897 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657313934 935131805 /nfs/dbraw/zinc/13/18/05/935131805.db2.gz XPPRHPUKSQJWLU-HDICACEKSA-N 2 0 352.526 3.597 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657313575 935142095 /nfs/dbraw/zinc/14/20/95/935142095.db2.gz KHMPNQKXIJPQPS-HDICACEKSA-N 2 0 352.526 3.597 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431340328 935181342 /nfs/dbraw/zinc/18/13/42/935181342.db2.gz BFMSKCYFVMFSAS-SJLPKXTDSA-N 2 0 354.922 3.809 20 0 FHADRP C[C@@H](CCO)C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000438825347 945082248 /nfs/dbraw/zinc/08/22/48/945082248.db2.gz IAUCOBOGPRIHNC-GHTZIAJQSA-N 2 0 350.522 3.987 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1ccnc1 ZINC000563236900 935197467 /nfs/dbraw/zinc/19/74/67/935197467.db2.gz AEEMAVKIHVFJSU-CEXWTWQISA-N 2 0 368.525 3.629 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOC2=O)cc1 ZINC000157857245 935213182 /nfs/dbraw/zinc/21/31/82/935213182.db2.gz PWYSEVHMPFZGRT-MSOLQXFVSA-N 2 0 359.514 3.948 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000582089839 935239366 /nfs/dbraw/zinc/23/93/66/935239366.db2.gz YZAYACUSUWSCTO-SJORKVTESA-N 2 0 371.491 3.672 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000472163365 935257116 /nfs/dbraw/zinc/25/71/16/935257116.db2.gz YTYHFYSGZYUAFU-SFHVURJKSA-N 2 0 355.501 3.608 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc3ccncc3s2)cc1 ZINC000657354168 935326553 /nfs/dbraw/zinc/32/65/53/935326553.db2.gz RUZSIKQEWMMBSN-UHFFFAOYSA-N 2 0 355.507 3.917 20 0 FHADRP c1nc2n(c1C[NH2+]CCCC[NH+]1CCC(Cc3ccccc3)CC1)CCC2 ZINC000657358854 935347966 /nfs/dbraw/zinc/34/79/66/935347966.db2.gz OONUZMDFONZNMG-UHFFFAOYSA-N 2 0 366.553 3.654 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000158165730 935380591 /nfs/dbraw/zinc/38/05/91/935380591.db2.gz SVHDDERSMLDOIG-SFHVURJKSA-N 2 0 359.514 3.806 20 0 FHADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)cc1 ZINC000582236551 935423449 /nfs/dbraw/zinc/42/34/49/935423449.db2.gz AWTMTADWPXCNHY-XMMPIXPASA-N 2 0 362.517 3.637 20 0 FHADRP Clc1ccccc1N1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657374644 935455021 /nfs/dbraw/zinc/45/50/21/935455021.db2.gz OYYYWRMLGVAGIS-INIZCTEOSA-N 2 0 367.884 3.679 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415006698 945102014 /nfs/dbraw/zinc/10/20/14/945102014.db2.gz QQDXLVDDDNUGCN-ICSRJNTNSA-N 2 0 354.542 3.836 20 0 FHADRP CCC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C[NH+](C)C ZINC001207283686 935470583 /nfs/dbraw/zinc/47/05/83/935470583.db2.gz CVLUEINQMROTGC-QGZVFWFLSA-N 2 0 355.567 3.543 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657391769 935527955 /nfs/dbraw/zinc/52/79/55/935527955.db2.gz ZICFFQHWBNEVNJ-JOCHJYFZSA-N 2 0 360.542 3.702 20 0 FHADRP CC1(C)CC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000582339743 935541102 /nfs/dbraw/zinc/54/11/02/935541102.db2.gz WHIWRHKKPCFLCC-HNNXBMFYSA-N 2 0 358.448 3.508 20 0 FHADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000657399444 935562115 /nfs/dbraw/zinc/56/21/15/935562115.db2.gz JBBFYAPMDBXRTA-PMACEKPBSA-N 2 0 356.535 3.883 20 0 FHADRP CCCC[C@@H](C[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429611681 945109158 /nfs/dbraw/zinc/10/91/58/945109158.db2.gz OVNCLURWPMWBGD-NRFANRHFSA-N 2 0 353.510 3.566 20 0 FHADRP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000582365250 935571954 /nfs/dbraw/zinc/57/19/54/935571954.db2.gz OIPUFZFPLCWDHX-OAHLLOKOSA-N 2 0 367.331 3.621 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000511118520 935668677 /nfs/dbraw/zinc/66/86/77/935668677.db2.gz CPFYFXMFHZODNQ-UHFFFAOYSA-N 2 0 357.542 3.667 20 0 FHADRP COC[C@@H](C)Oc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000657425985 935682461 /nfs/dbraw/zinc/68/24/61/935682461.db2.gz UBIJKQNNDPDHME-GOSISDBHSA-N 2 0 369.509 3.502 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2ccncc2s1 ZINC000657430995 935714844 /nfs/dbraw/zinc/71/48/44/935714844.db2.gz XDVZSZOIXMEUCR-LJQANCHMSA-N 2 0 367.518 3.543 20 0 FHADRP C[N@H+](CCCc1c(F)cccc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000375710181 935764014 /nfs/dbraw/zinc/76/40/14/935764014.db2.gz FZANBGSKLWESII-UHFFFAOYSA-N 2 0 368.924 3.987 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000237151427 935790701 /nfs/dbraw/zinc/79/07/01/935790701.db2.gz BOHORUNXNVRHAH-UHFFFAOYSA-N 2 0 371.569 3.847 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000159137305 935801492 /nfs/dbraw/zinc/80/14/92/935801492.db2.gz CKKFURGDZJINCO-HOTGVXAUSA-N 2 0 361.555 3.879 20 0 FHADRP CCCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000158639024 935878805 /nfs/dbraw/zinc/87/88/05/935878805.db2.gz KVCHAXQOOKMBKJ-UHFFFAOYSA-N 2 0 374.573 3.591 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000684954382 935899508 /nfs/dbraw/zinc/89/95/08/935899508.db2.gz ZXQGPTNLEOKZBZ-HXUWFJFHSA-N 2 0 353.510 3.969 20 0 FHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]C3CC4(C3)CCCCC4)cc2)CC1 ZINC000582659649 935917561 /nfs/dbraw/zinc/91/75/61/935917561.db2.gz RCTWRIYYOUXGNU-UHFFFAOYSA-N 2 0 369.553 3.586 20 0 FHADRP CC(C)[N@H+](C)CCCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000511182076 935941210 /nfs/dbraw/zinc/94/12/10/935941210.db2.gz AZHZIHNWXJXWFE-UHFFFAOYSA-N 2 0 367.537 3.779 20 0 FHADRP COc1ccc2ccccc2c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536447 935973720 /nfs/dbraw/zinc/97/37/20/935973720.db2.gz JCNCMHOHDMUWQU-UHFFFAOYSA-N 2 0 368.521 3.829 20 0 FHADRP FC(F)(F)C1CCC(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657538083 935978056 /nfs/dbraw/zinc/97/80/56/935978056.db2.gz XREBFZYWKCWATM-UHFFFAOYSA-N 2 0 362.480 3.836 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000657586572 936065850 /nfs/dbraw/zinc/06/58/50/936065850.db2.gz KZSIOCLTZVSMLX-QGZVFWFLSA-N 2 0 368.403 3.555 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000657597266 936073145 /nfs/dbraw/zinc/07/31/45/936073145.db2.gz RUKTVKCQSRYYLU-NKELODKYSA-N 2 0 370.459 3.712 20 0 FHADRP CCc1oc2ccccc2c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595307 936075081 /nfs/dbraw/zinc/07/50/81/936075081.db2.gz ONKPMEGPNWGPLQ-LJQANCHMSA-N 2 0 364.489 3.852 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237478570 936076160 /nfs/dbraw/zinc/07/61/60/936076160.db2.gz XGEUHBSTGXTENT-DYESRHJHSA-N 2 0 351.494 3.947 20 0 FHADRP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657596604 936080122 /nfs/dbraw/zinc/08/01/22/936080122.db2.gz OTZCVAMXCQKFAJ-SFHVURJKSA-N 2 0 358.551 3.902 20 0 FHADRP C[N@H+](CCC[NH+]1CCCCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000161397213 936088522 /nfs/dbraw/zinc/08/85/22/936088522.db2.gz VABATHXOKAOOHN-UHFFFAOYSA-N 2 0 353.551 3.630 20 0 FHADRP Brc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611715 936092881 /nfs/dbraw/zinc/09/28/81/936092881.db2.gz DRNXRKHLZVLPJU-UHFFFAOYSA-N 2 0 374.326 3.846 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264201 936154053 /nfs/dbraw/zinc/15/40/53/936154053.db2.gz VBFAHGSYHMGMOZ-HKUYNNGSSA-N 2 0 372.513 3.539 20 0 FHADRP COC[C@@H]1CCCC[NH+](CCCCC[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000467117830 936200851 /nfs/dbraw/zinc/20/08/51/936200851.db2.gz MMAFGPXKFKQQAW-NHCUHLMSSA-N 2 0 354.579 3.654 20 0 FHADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466910702 936208965 /nfs/dbraw/zinc/20/89/65/936208965.db2.gz WTVOLIFZLJWLRE-INIZCTEOSA-N 2 0 368.468 3.926 20 0 FHADRP CN(c1ccccc1)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000685043981 936243003 /nfs/dbraw/zinc/24/30/03/936243003.db2.gz HKFUKMRMTOHGCN-UHFFFAOYSA-N 2 0 366.553 3.570 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414962130 945161082 /nfs/dbraw/zinc/16/10/82/945161082.db2.gz ZPHLLJRKHYIMTH-WBVHZDCISA-N 2 0 352.507 3.831 20 0 FHADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000150984877 938252910 /nfs/dbraw/zinc/25/29/10/938252910.db2.gz CAVYWXAGXDQNJO-LBPRGKRZSA-N 2 0 362.320 3.809 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000583472444 938269293 /nfs/dbraw/zinc/26/92/93/938269293.db2.gz IRXZFFLOSQLRSE-FGZHOGPDSA-N 2 0 371.569 3.608 20 0 FHADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000151004140 938269428 /nfs/dbraw/zinc/26/94/28/938269428.db2.gz JRURABKLHPNJTG-GOSISDBHSA-N 2 0 368.363 3.516 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCCCC1 ZINC000657762724 938271249 /nfs/dbraw/zinc/27/12/49/938271249.db2.gz MPHNYXOESWVJHN-TZIWHRDSSA-N 2 0 371.569 3.716 20 0 FHADRP c1nc([C@@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798741 938278160 /nfs/dbraw/zinc/27/81/60/938278160.db2.gz VRGBOEUDNIPYOB-HXUWFJFHSA-N 2 0 364.537 3.852 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000098173071 938279280 /nfs/dbraw/zinc/27/92/80/938279280.db2.gz WLAFAZWZDTUYOR-FQEVSTJZSA-N 2 0 358.457 3.770 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000650705819 938282803 /nfs/dbraw/zinc/28/28/03/938282803.db2.gz XHNTTWWZRHSXHT-YQVWRLOYSA-N 2 0 357.523 3.528 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706769 938286764 /nfs/dbraw/zinc/28/67/64/938286764.db2.gz RWMISOSQFSGIGH-NLWGTHIKSA-N 2 0 371.550 3.837 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000650707254 938289027 /nfs/dbraw/zinc/28/90/27/938289027.db2.gz BUUBMKWVNCAENN-LXZKKBNFSA-N 2 0 360.395 3.563 20 0 FHADRP CO[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000657768193 938293968 /nfs/dbraw/zinc/29/39/68/938293968.db2.gz XFNPGXOPWLPUET-JOCHJYFZSA-N 2 0 359.558 3.512 20 0 FHADRP FC(F)Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771330 938307037 /nfs/dbraw/zinc/30/70/37/938307037.db2.gz BIXHHGGTBMZUJR-LJQANCHMSA-N 2 0 374.479 3.540 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000647299404 938307666 /nfs/dbraw/zinc/30/76/66/938307666.db2.gz FADWLIGYFHTYRP-FCHUYYIVSA-N 2 0 353.510 3.525 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000650722930 938310065 /nfs/dbraw/zinc/31/00/65/938310065.db2.gz DULYLCWFXYXXQB-BRWVUGGUSA-N 2 0 360.395 3.705 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccsc3)n2)C1 ZINC000650723253 938310369 /nfs/dbraw/zinc/31/03/69/938310369.db2.gz KIHNCRXRNMPLSM-OIISXLGYSA-N 2 0 363.552 3.732 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)co2)cc1 ZINC000650723452 938310704 /nfs/dbraw/zinc/31/07/04/938310704.db2.gz OFINAVSCQYBWNE-MISYRCLQSA-N 2 0 355.482 3.511 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000246169655 938343733 /nfs/dbraw/zinc/34/37/33/938343733.db2.gz BCLADHFYLCYTEV-MSOLQXFVSA-N 2 0 357.542 3.883 20 0 FHADRP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000583722140 938378170 /nfs/dbraw/zinc/37/81/70/938378170.db2.gz IYKZGAFXNANSRM-ZGQXGDRLSA-N 2 0 368.468 3.780 20 0 FHADRP OC1(C[NH2+]Cc2ccccc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397498417 938381536 /nfs/dbraw/zinc/38/15/36/938381536.db2.gz SQYSYSVWEKFLRU-UHFFFAOYSA-N 2 0 350.506 3.681 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]CCCn1ccnc1 ZINC000151126842 938388100 /nfs/dbraw/zinc/38/81/00/938388100.db2.gz XVMCAIIEDRCVAO-HNNXBMFYSA-N 2 0 350.260 3.539 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1CC[NH2+]CC1 ZINC000246743481 938396981 /nfs/dbraw/zinc/39/69/81/938396981.db2.gz ZHJPFVVZHGGCBN-RBUKOAKNSA-N 2 0 371.569 3.703 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278423788 938410253 /nfs/dbraw/zinc/41/02/53/938410253.db2.gz IUDWTBDHQVJHCZ-MRXNPFEDSA-N 2 0 358.530 3.742 20 0 FHADRP Brc1ccccc1C[C@@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000650761664 938442093 /nfs/dbraw/zinc/44/20/93/938442093.db2.gz GXJADLNZNQJEOT-GOSISDBHSA-N 2 0 351.332 3.750 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H]2CCC[C@H]21 ZINC000583887958 938467732 /nfs/dbraw/zinc/46/77/32/938467732.db2.gz LGGCIYBGQODDCQ-OYYCAODRSA-N 2 0 351.897 3.520 20 0 FHADRP c1ccc(COc2cccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)c2)nc1 ZINC000278496135 938481132 /nfs/dbraw/zinc/48/11/32/938481132.db2.gz MHNWWXRLOJXHGB-UHFFFAOYSA-N 2 0 351.494 3.625 20 0 FHADRP Fc1cc(Br)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812146 938514928 /nfs/dbraw/zinc/51/49/28/938514928.db2.gz NBDCDHGZZOPHDB-UHFFFAOYSA-N 2 0 355.295 3.800 20 0 FHADRP c1sc(COc2ccccc2)nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813611 938517734 /nfs/dbraw/zinc/51/77/34/938517734.db2.gz UFRFKJLUDXPQLS-UHFFFAOYSA-N 2 0 371.550 3.934 20 0 FHADRP COc1c(Br)cccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813714 938519728 /nfs/dbraw/zinc/51/97/28/938519728.db2.gz YMQUFDKOJPHKGW-UHFFFAOYSA-N 2 0 367.331 3.669 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000080645830 938589561 /nfs/dbraw/zinc/58/95/61/938589561.db2.gz NBACOZHLHPCMRV-UHFFFAOYSA-N 2 0 354.922 3.671 20 0 FHADRP OCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000647322433 938599932 /nfs/dbraw/zinc/59/99/32/938599932.db2.gz VXFZTVNPCDPOGV-YTFSRNRJSA-N 2 0 350.506 3.712 20 0 FHADRP CCOC1CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000657829375 938607260 /nfs/dbraw/zinc/60/72/60/938607260.db2.gz ZGOOZUKMJGSXHE-NFAVZRQZSA-N 2 0 360.542 3.733 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414900291 945191089 /nfs/dbraw/zinc/19/10/89/945191089.db2.gz IKNYNVUNNZKWID-UHFFFAOYSA-N 2 0 370.541 3.793 20 0 FHADRP COc1cc2ccc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834008 938635503 /nfs/dbraw/zinc/63/55/03/938635503.db2.gz IDEAODIIRRYNEZ-HOTGVXAUSA-N 2 0 354.494 3.992 20 0 FHADRP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657836481 938646703 /nfs/dbraw/zinc/64/67/03/938646703.db2.gz UTCUYCNIDMMGCD-RDJZCZTQSA-N 2 0 351.332 3.844 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657836280 938649860 /nfs/dbraw/zinc/64/98/60/938649860.db2.gz RFTJQNFWQOBIIN-IBGZPJMESA-N 2 0 371.491 3.644 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657839343 938690917 /nfs/dbraw/zinc/69/09/17/938690917.db2.gz SJRWYQDJGZNFIY-INIZCTEOSA-N 2 0 353.501 3.594 20 0 FHADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3CC[NH+](CCO)CC3)cs2)cs1 ZINC000151838191 938698786 /nfs/dbraw/zinc/69/87/86/938698786.db2.gz TZQZLARIEMZNNC-CYBMUJFWSA-N 2 0 365.568 3.535 20 0 FHADRP CC1CCC([NH+]2CCC(N(C)C(=O)c3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC000081305892 938782491 /nfs/dbraw/zinc/78/24/91/938782491.db2.gz KIXLTIYTDNRFSC-UHFFFAOYSA-N 2 0 371.569 3.863 20 0 FHADRP CO[C@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414926 938834180 /nfs/dbraw/zinc/83/41/80/938834180.db2.gz OFAQJPBFXZOXIO-XQBPLPMBSA-N 2 0 360.542 3.585 20 0 FHADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000089673943 938862617 /nfs/dbraw/zinc/86/26/17/938862617.db2.gz WLQBDZLFFDYJFG-VQIMIIECSA-N 2 0 372.532 3.888 20 0 FHADRP Clc1ccc(-c2noc(CC[NH2+]C3CC[NH+](C4CCCC4)CC3)n2)cc1 ZINC000089556013 938865697 /nfs/dbraw/zinc/86/56/97/938865697.db2.gz SMZWCLPSLDMBBL-UHFFFAOYSA-N 2 0 374.916 3.929 20 0 FHADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000091368227 938900592 /nfs/dbraw/zinc/90/05/92/938900592.db2.gz ZTXRFFBWXHYCIT-OAQYLSRUSA-N 2 0 359.558 3.600 20 0 FHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000657864852 938904908 /nfs/dbraw/zinc/90/49/08/938904908.db2.gz SAUKBZDTNYZNFN-LJQANCHMSA-N 2 0 369.597 3.645 20 0 FHADRP c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(-c2ccncc2)c1 ZINC000093735080 938929371 /nfs/dbraw/zinc/92/93/71/938929371.db2.gz BGRCCVJOEFKFCX-UHFFFAOYSA-N 2 0 365.521 3.825 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657871110 938950840 /nfs/dbraw/zinc/95/08/40/938950840.db2.gz GXRLRNVOSSXVHF-OAHLLOKOSA-N 2 0 369.475 3.706 20 0 FHADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cc2cnccc2o1 ZINC000657873978 938964087 /nfs/dbraw/zinc/96/40/87/938964087.db2.gz XEIRDRXCCMIWMT-INIZCTEOSA-N 2 0 353.466 3.662 20 0 FHADRP CCOC1CCC([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000657887879 938981960 /nfs/dbraw/zinc/98/19/60/938981960.db2.gz KLUVKSMTQXNOEN-KMFTYDHNSA-N 2 0 360.542 3.824 20 0 FHADRP C[N@H+](Cc1cccc(OC2CCCC2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457331 938987917 /nfs/dbraw/zinc/98/79/17/938987917.db2.gz APUIZYRJNFCAHM-NRFANRHFSA-N 2 0 371.569 3.608 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657890876 938987976 /nfs/dbraw/zinc/98/79/76/938987976.db2.gz SPDZWTILLROXRN-HXUWFJFHSA-N 2 0 350.466 3.733 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685463142 938988655 /nfs/dbraw/zinc/98/86/55/938988655.db2.gz PDUMPWTZHPNWBA-LJQANCHMSA-N 2 0 370.516 3.792 20 0 FHADRP c1ccc(C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2CC2)nc1 ZINC000685466556 938989004 /nfs/dbraw/zinc/98/90/04/938989004.db2.gz RKWPBQWWMNTNMI-UHFFFAOYSA-N 2 0 351.494 3.721 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572096 938992023 /nfs/dbraw/zinc/99/20/23/938992023.db2.gz CTKJLKDHBQNZQX-AEFFLSMTSA-N 2 0 368.912 3.845 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH+](C)C ZINC000151945488 938992472 /nfs/dbraw/zinc/99/24/72/938992472.db2.gz KADZJCUYDPGQDT-NSHDSACASA-N 2 0 365.827 3.617 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657907604 938996351 /nfs/dbraw/zinc/99/63/51/938996351.db2.gz PPUQWRVOLIHDSF-VNHKHXMHSA-N 2 0 374.569 3.564 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000657924629 939007570 /nfs/dbraw/zinc/00/75/70/939007570.db2.gz CXCMRKUSWXTBDI-RLLQIKCJSA-N 2 0 350.934 3.629 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1O ZINC000685646314 939008099 /nfs/dbraw/zinc/00/80/99/939008099.db2.gz MTXCOXNCUOPFOI-HKUYNNGSSA-N 2 0 354.494 3.964 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657930185 939008974 /nfs/dbraw/zinc/00/89/74/939008974.db2.gz BJXKRMULAPBJQI-PTUXOGIPSA-N 2 0 374.569 3.708 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nccc2ccccc21 ZINC000685653813 939009030 /nfs/dbraw/zinc/00/90/30/939009030.db2.gz XECVKWPPFOZJNP-LAUBAEHRSA-N 2 0 361.489 3.652 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976504 939014839 /nfs/dbraw/zinc/01/48/39/939014839.db2.gz OEEUYTUPZUUAAI-APWZRJJASA-N 2 0 371.491 3.642 20 0 FHADRP C[C@H](Cn1cncn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658004091 939018486 /nfs/dbraw/zinc/01/84/86/939018486.db2.gz BKHOLUIZYCSXNG-BUHWKMJWSA-N 2 0 373.932 3.524 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023062 939019200 /nfs/dbraw/zinc/01/92/00/939019200.db2.gz IWVOLJKASZFJOQ-NHCUHLMSSA-N 2 0 374.594 3.791 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000658054744 939020830 /nfs/dbraw/zinc/02/08/30/939020830.db2.gz GNQAUZRIUMYOTL-CRAIPNDOSA-N 2 0 365.949 3.539 20 0 FHADRP Cc1cccc(C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CC2)c1 ZINC000658066742 939021481 /nfs/dbraw/zinc/02/14/81/939021481.db2.gz DKUQQXICSPCZCL-HSZRJFAPSA-N 2 0 356.554 3.797 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc2ccccc2n1 ZINC000658066511 939021520 /nfs/dbraw/zinc/02/15/20/939021520.db2.gz BFGCUQQXUXIQKW-KRWDZBQOSA-N 2 0 353.510 3.776 20 0 FHADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C12CCCCC2 ZINC000658067617 939021567 /nfs/dbraw/zinc/02/15/67/939021567.db2.gz OFDUPNIKFLCWIZ-SFTDATJTSA-N 2 0 364.574 3.595 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cnn(C2CCCC2)c1 ZINC000658069491 939021801 /nfs/dbraw/zinc/02/18/01/939021801.db2.gz FQGIQBRTRDHTIJ-QGZVFWFLSA-N 2 0 360.546 3.540 20 0 FHADRP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000658116633 939024940 /nfs/dbraw/zinc/02/49/40/939024940.db2.gz WOVSAUXQRWXOLW-MISYRCLQSA-N 2 0 368.606 3.821 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(F)cc43)cc2)C1 ZINC000658137067 939030559 /nfs/dbraw/zinc/03/05/59/939030559.db2.gz IRGAHCLZNWBNDF-IRLDBZIGSA-N 2 0 354.469 3.560 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)C1 ZINC000658142210 939036196 /nfs/dbraw/zinc/03/61/96/939036196.db2.gz DNQOUMDXGSQJNA-AZUAARDMSA-N 2 0 354.519 3.580 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccccc1 ZINC000414967752 945221896 /nfs/dbraw/zinc/22/18/96/945221896.db2.gz HJMJPRUXNRCNSQ-NRFANRHFSA-N 2 0 354.494 3.752 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000658144662 939037087 /nfs/dbraw/zinc/03/70/87/939037087.db2.gz NLXMHGWIAPOTBK-BBRMVZONSA-N 2 0 350.915 3.819 20 0 FHADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658140275 939044031 /nfs/dbraw/zinc/04/40/31/939044031.db2.gz PKHCIWWVGCGPOB-AVRDEDQJSA-N 2 0 368.521 3.893 20 0 FHADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165761 939053296 /nfs/dbraw/zinc/05/32/96/939053296.db2.gz LPBPTSBKNODSRW-SFHVURJKSA-N 2 0 353.510 3.961 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000658165293 939053325 /nfs/dbraw/zinc/05/33/25/939053325.db2.gz IIDANGBSGGSCTP-KRWDZBQOSA-N 2 0 351.494 3.675 20 0 FHADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000658167209 939055014 /nfs/dbraw/zinc/05/50/14/939055014.db2.gz QRLYFZCMNGHQHN-SFHVURJKSA-N 2 0 356.539 3.726 20 0 FHADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C12CCCC2 ZINC000658168751 939055741 /nfs/dbraw/zinc/05/57/41/939055741.db2.gz YKARQAARNWPPQT-RTWAWAEBSA-N 2 0 357.542 3.621 20 0 FHADRP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000658209781 939070323 /nfs/dbraw/zinc/07/03/23/939070323.db2.gz SEYNFKKFJQMRGW-WMLDXEAASA-N 2 0 351.332 3.844 20 0 FHADRP COc1ccnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c1F ZINC000658223181 939071936 /nfs/dbraw/zinc/07/19/36/939071936.db2.gz IXUWZCKWURNWRD-UHFFFAOYSA-N 2 0 357.473 3.762 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511828527 945225275 /nfs/dbraw/zinc/22/52/75/945225275.db2.gz YESCAEPZHVBEFG-ZLNRFVROSA-N 2 0 355.570 3.671 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658295160 939101163 /nfs/dbraw/zinc/10/11/63/939101163.db2.gz AIIPVULPCFVNGZ-MWXLCCTBSA-N 2 0 371.569 3.666 20 0 FHADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316310 939109166 /nfs/dbraw/zinc/10/91/66/939109166.db2.gz DSCFYUADYBXNKG-TZIWHRDSSA-N 2 0 364.537 3.689 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319723 939110660 /nfs/dbraw/zinc/11/06/60/939110660.db2.gz HJCWHZQCMWOAHE-DENIHFKCSA-N 3 0 355.570 3.609 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cncc(Br)c1 ZINC000658352360 939123772 /nfs/dbraw/zinc/12/37/72/939123772.db2.gz FLIYNGJIOWULBL-ZDUSSCGKSA-N 2 0 352.320 3.617 20 0 FHADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686508 939136834 /nfs/dbraw/zinc/13/68/34/939136834.db2.gz RIXAVWOCMAEULS-XUZZJYLKSA-N 2 0 371.613 3.993 20 0 FHADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1O ZINC000472367534 939140957 /nfs/dbraw/zinc/14/09/57/939140957.db2.gz ICADYVIOJLCNGN-VQTJNVASSA-N 2 0 354.494 3.573 20 0 FHADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1I ZINC000507429582 945231344 /nfs/dbraw/zinc/23/13/44/945231344.db2.gz PGGTZRYNEGRWSI-CYBMUJFWSA-N 2 0 372.294 3.674 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000519225167 945231840 /nfs/dbraw/zinc/23/18/40/945231840.db2.gz WULDRDIGNRKCMV-ICSRJNTNSA-N 2 0 351.579 3.610 20 0 FHADRP CC(C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCCC1 ZINC000507460630 945249652 /nfs/dbraw/zinc/24/96/52/945249652.db2.gz IXFAMGJIGFMIAR-GOSISDBHSA-N 2 0 363.512 3.893 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000427297159 945260501 /nfs/dbraw/zinc/26/05/01/945260501.db2.gz YEBBXVLTKMOXIQ-MOPGFXCFSA-N 2 0 357.542 3.546 20 0 FHADRP COc1cc2c(cc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)O[C@H](C)C2 ZINC000518267611 945271202 /nfs/dbraw/zinc/27/12/02/945271202.db2.gz NILCKVYUUOQGQS-KZNAEPCWSA-N 2 0 360.542 3.866 20 0 FHADRP OCC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507516764 945279586 /nfs/dbraw/zinc/27/95/86/945279586.db2.gz WTAMVSVSRMOMCC-SSGKUCQKSA-N 2 0 350.506 3.610 20 0 FHADRP c1csc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]3C2)c1 ZINC001167986229 945296488 /nfs/dbraw/zinc/29/64/88/945296488.db2.gz BEPOAIWFXXTPMJ-JKIHBJOUSA-N 2 0 371.594 3.517 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCCC5)[C@@H]3C2)cc1 ZINC000507519944 945298772 /nfs/dbraw/zinc/29/87/72/945298772.db2.gz LQGVXYUROCZODA-KVAWTYEWSA-N 2 0 366.549 3.834 20 0 FHADRP Fc1ccc(C2=CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000376178933 940427412 /nfs/dbraw/zinc/42/74/12/940427412.db2.gz VUDYOPBEGSLNNF-UTKZUKDTSA-N 2 0 358.501 3.852 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000431734568 940438596 /nfs/dbraw/zinc/43/85/96/940438596.db2.gz WSRUBZRXPHHOPP-UGKGYDQZSA-N 2 0 371.569 3.942 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000548988717 940445587 /nfs/dbraw/zinc/44/55/87/940445587.db2.gz DBDXTEANLUJXIQ-PMACEKPBSA-N 2 0 373.585 3.902 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431748777 940466230 /nfs/dbraw/zinc/46/62/30/940466230.db2.gz IVYNTEOZUZHXBQ-JOCHJYFZSA-N 2 0 367.537 3.836 20 0 FHADRP COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000685850751 940466869 /nfs/dbraw/zinc/46/68/69/940466869.db2.gz CRCLBHJDYFBZMZ-UHFFFAOYSA-N 2 0 366.505 3.683 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414058834 940467495 /nfs/dbraw/zinc/46/74/95/940467495.db2.gz HWXLDDURBBSGDK-TZIWHRDSSA-N 2 0 363.977 3.983 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000543872136 945323314 /nfs/dbraw/zinc/32/33/14/945323314.db2.gz MAUKQZLREFZBFP-UHFFFAOYSA-N 2 0 372.557 3.966 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000414073684 940481701 /nfs/dbraw/zinc/48/17/01/940481701.db2.gz NHTAHDDKKQWDKB-LJQANCHMSA-N 2 0 367.537 3.602 20 0 FHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000431769393 940487226 /nfs/dbraw/zinc/48/72/26/940487226.db2.gz HRPANDILRHGOIB-IRLDBZIGSA-N 2 0 371.569 3.650 20 0 FHADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000431769391 940487286 /nfs/dbraw/zinc/48/72/86/940487286.db2.gz HRPANDILRHGOIB-IFMALSPDSA-N 2 0 371.569 3.650 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414115342 940603518 /nfs/dbraw/zinc/60/35/18/940603518.db2.gz MVBVSEJWSFZXHY-UYAOXDASSA-N 2 0 350.934 3.660 20 0 FHADRP Brc1ccc2nc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001204741873 945335777 /nfs/dbraw/zinc/33/57/77/945335777.db2.gz DGWJKJMEBNUWSU-UHFFFAOYSA-N 2 0 374.326 3.963 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)c1 ZINC000414139015 940657100 /nfs/dbraw/zinc/65/71/00/940657100.db2.gz HEDSFRABQWRLRS-KRWDZBQOSA-N 2 0 357.498 3.580 20 0 FHADRP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1C[C@@H]1C ZINC000414151817 940681202 /nfs/dbraw/zinc/68/12/02/940681202.db2.gz WPQJEFKPPYKGBX-PDGJWGCVSA-N 2 0 356.554 3.939 20 0 FHADRP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174155756 940705729 /nfs/dbraw/zinc/70/57/29/940705729.db2.gz ZHAXFKIAPBGHDA-KRWDZBQOSA-N 2 0 371.525 3.695 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000376297014 940723504 /nfs/dbraw/zinc/72/35/04/940723504.db2.gz VUAJJFXRAIHKRW-IBGZPJMESA-N 2 0 355.457 3.841 20 0 FHADRP Clc1ccccc1C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCO1 ZINC000414194870 940742652 /nfs/dbraw/zinc/74/26/52/940742652.db2.gz WCFLRZBOQYQAIA-PMACEKPBSA-N 2 0 355.869 3.868 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCN2CCOCC2)cc1 ZINC000170694510 940782621 /nfs/dbraw/zinc/78/26/21/940782621.db2.gz LNGBTKMLGGECTP-IBGZPJMESA-N 2 0 373.541 3.502 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000414258059 940847195 /nfs/dbraw/zinc/84/71/95/940847195.db2.gz LNXAFOPXFCGIQM-UHFFFAOYSA-N 2 0 352.457 3.671 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000892584951 940852404 /nfs/dbraw/zinc/85/24/04/940852404.db2.gz QAFHAHMEFFQJPC-KURKYZTESA-N 2 0 353.551 3.534 20 0 FHADRP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660658479 945360432 /nfs/dbraw/zinc/36/04/32/945360432.db2.gz CUXXSXBOVUCFPC-QFIPXVFZSA-N 2 0 357.542 3.748 20 0 FHADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657795 945360739 /nfs/dbraw/zinc/36/07/39/945360739.db2.gz UKIBYJXGTGPIDL-GOSISDBHSA-N 2 0 370.324 3.740 20 0 FHADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414308485 940936689 /nfs/dbraw/zinc/93/66/89/940936689.db2.gz QKXJMRDOVIRKBW-MRXNPFEDSA-N 2 0 373.566 3.692 20 0 FHADRP OC1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414312472 940949095 /nfs/dbraw/zinc/94/90/95/940949095.db2.gz WNVPDFZXYZAMOE-NRFANRHFSA-N 2 0 370.924 3.944 20 0 FHADRP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414326418 940975962 /nfs/dbraw/zinc/97/59/62/940975962.db2.gz ANOFECPCAJNLSC-BMXMUORJSA-N 2 0 356.554 3.818 20 0 FHADRP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414328658 940979457 /nfs/dbraw/zinc/97/94/57/940979457.db2.gz AKAQOGDWVBRXFN-QGZVFWFLSA-N 2 0 359.558 3.688 20 0 FHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000580709889 941037853 /nfs/dbraw/zinc/03/78/53/941037853.db2.gz PRTSXBPYYMKLOF-UHFFFAOYSA-N 2 0 361.505 3.849 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)nc1 ZINC000647542811 941062510 /nfs/dbraw/zinc/06/25/10/941062510.db2.gz CEFOTAIPLBGFMR-RTWAWAEBSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1OC ZINC000647542861 941062512 /nfs/dbraw/zinc/06/25/12/941062512.db2.gz CZTGPTCLJSUXOJ-CABCVRRESA-N 2 0 352.906 3.569 20 0 FHADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1OC(F)F ZINC000647543439 941065330 /nfs/dbraw/zinc/06/53/30/941065330.db2.gz NLRMNZWIWCNFCT-HZPDHXFCSA-N 2 0 368.468 3.898 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(F)F ZINC000647543763 941065473 /nfs/dbraw/zinc/06/54/73/941065473.db2.gz RRLURKLKMLAIEF-HZPDHXFCSA-N 2 0 354.441 3.508 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543932 941065761 /nfs/dbraw/zinc/06/57/61/941065761.db2.gz UOOJACRIVKOPFB-LSDHHAIUSA-N 2 0 360.452 3.567 20 0 FHADRP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889241 941067484 /nfs/dbraw/zinc/06/74/84/941067484.db2.gz OWUOZYOOAPOBCY-HXUWFJFHSA-N 2 0 371.569 3.622 20 0 FHADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000647545684 941068967 /nfs/dbraw/zinc/06/89/67/941068967.db2.gz DBNRHTIUYIFAEY-ZWKOTPCHSA-N 2 0 364.493 3.655 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423357777 941091173 /nfs/dbraw/zinc/09/11/73/941091173.db2.gz AREAFVZLXFYUMC-KURKYZTESA-N 2 0 367.331 3.776 20 0 FHADRP C[C@@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000187812232 941117050 /nfs/dbraw/zinc/11/70/50/941117050.db2.gz NQZRAGUJEKSLKO-INIZCTEOSA-N 2 0 373.928 3.525 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)C3([NH3+])CC4(CCC4)C3)c2)CC1 ZINC000659317965 941161809 /nfs/dbraw/zinc/16/18/09/941161809.db2.gz WBVSQDBAAPOIEH-UHFFFAOYSA-N 2 0 355.526 3.561 20 0 FHADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248397 941211652 /nfs/dbraw/zinc/21/16/52/941211652.db2.gz AIXZABIKLWQZGK-MAUKXSAKSA-N 2 0 355.457 3.696 20 0 FHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121020 941255344 /nfs/dbraw/zinc/25/53/44/941255344.db2.gz LTHDDHGSBGDLQD-UKRRQHHQSA-N 2 0 357.311 3.841 20 0 FHADRP CCCC1(C[NH2+]C2CC[NH+](CC)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000311385995 941268624 /nfs/dbraw/zinc/26/86/24/941268624.db2.gz PBEHDKQETUISAU-UHFFFAOYSA-N 2 0 367.578 3.878 20 0 FHADRP O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498793 941314642 /nfs/dbraw/zinc/31/46/42/941314642.db2.gz LGKZMQKDUOJQHR-XLIONFOSSA-N 2 0 360.448 3.500 20 0 FHADRP C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781899 941322505 /nfs/dbraw/zinc/32/25/05/941322505.db2.gz HYVGBOZNIOPYES-QTGUNEKASA-N 2 0 350.506 3.801 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311781906 941326136 /nfs/dbraw/zinc/32/61/36/941326136.db2.gz HYVGBOZNIOPYES-ZEYPLWLESA-N 2 0 350.506 3.801 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000311565058 941332435 /nfs/dbraw/zinc/33/24/35/941332435.db2.gz YUIVFNSNWZFSNZ-JOCHJYFZSA-N 2 0 354.494 3.793 20 0 FHADRP O[C@H](C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000311597837 941336531 /nfs/dbraw/zinc/33/65/31/941336531.db2.gz SHYQFARBUSCOBQ-JOCHJYFZSA-N 2 0 350.506 3.708 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)CC1 ZINC000589836445 941351399 /nfs/dbraw/zinc/35/13/99/941351399.db2.gz YAVKOIAJCPIOLN-HXUWFJFHSA-N 2 0 366.553 3.570 20 0 FHADRP C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2)CCN1C1CC[NH+](C)CC1 ZINC000376863910 941454735 /nfs/dbraw/zinc/45/47/35/941454735.db2.gz IQCSNRGOUAVREN-MRXNPFEDSA-N 2 0 367.990 3.532 20 0 FHADRP CCc1onc(C)c1C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000892751665 941515238 /nfs/dbraw/zinc/51/52/38/941515238.db2.gz YWIWGZAZZCSNKW-UHFFFAOYSA-N 2 0 357.498 3.556 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000549142707 941522269 /nfs/dbraw/zinc/52/22/69/941522269.db2.gz XOLCAYVUANCKCH-NHCUHLMSSA-N 2 0 358.526 3.880 20 0 FHADRP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000415013262 941541915 /nfs/dbraw/zinc/54/19/15/941541915.db2.gz YJRZBAHSNSSWBC-FUHWJXTLSA-N 2 0 362.876 3.971 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415013613 941547052 /nfs/dbraw/zinc/54/70/52/941547052.db2.gz YOEKOVRYASSXRE-UKRRQHHQSA-N 2 0 365.930 3.983 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1OCc1ccncc1 ZINC000415026701 941549885 /nfs/dbraw/zinc/54/98/85/941549885.db2.gz UQPCJAZRNLOTLN-IYARVYRRSA-N 2 0 369.509 3.524 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000415031992 941555321 /nfs/dbraw/zinc/55/53/21/941555321.db2.gz HQBBQIASHCRXLQ-BXKDBHETSA-N 2 0 351.210 3.685 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415034292 941557290 /nfs/dbraw/zinc/55/72/90/941557290.db2.gz CPNFQFNHAIKSNO-UZLBHIALSA-N 2 0 358.917 3.798 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035063 941558589 /nfs/dbraw/zinc/55/85/89/941558589.db2.gz KKYWSPINNXHCGP-BXUZGUMPSA-N 2 0 366.328 3.790 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000415043389 941562015 /nfs/dbraw/zinc/56/20/15/941562015.db2.gz RVCBBKQXARHQGS-IAGOWNOFSA-N 2 0 356.466 3.713 20 0 FHADRP c1ccc(Oc2cccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)c2)cc1 ZINC000415052352 941567669 /nfs/dbraw/zinc/56/76/69/941567669.db2.gz KTCHDCXLONOWMS-UHFFFAOYSA-N 2 0 365.521 3.785 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415057787 941570331 /nfs/dbraw/zinc/57/03/31/941570331.db2.gz UESZJOQEGALDNE-OPAMFIHVSA-N 2 0 370.541 3.730 20 0 FHADRP CSc1cc2c(cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1)OCCO2 ZINC000415052810 941571839 /nfs/dbraw/zinc/57/18/39/941571839.db2.gz LKZHCOJJYKJRNH-KRWDZBQOSA-N 2 0 358.507 3.750 20 0 FHADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415060658 941579280 /nfs/dbraw/zinc/57/92/80/941579280.db2.gz XFURQYLSZCJTLE-NSKBAKJYSA-N 2 0 361.961 3.782 20 0 FHADRP C[C@@H](C[C@H]1CCC[NH2+]1)NCc1cc(Br)ccc1OC(F)F ZINC000415073983 941589155 /nfs/dbraw/zinc/58/91/55/941589155.db2.gz BPSOBAQWDPJYFV-GXFFZTMASA-N 2 0 363.246 3.671 20 0 FHADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCN[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000415083441 941593010 /nfs/dbraw/zinc/59/30/10/941593010.db2.gz FKMFORHEOKLMNO-BJKOFHAPSA-N 2 0 363.549 3.982 20 0 FHADRP COc1cccc([C@H]([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086385 941595475 /nfs/dbraw/zinc/59/54/75/941595475.db2.gz RNXITXQPZCRKML-VVBPWWLESA-N 2 0 372.484 3.910 20 0 FHADRP COc1cccc([C@H]([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c2cc(F)ccc2OC)c1 ZINC000415086375 941595516 /nfs/dbraw/zinc/59/55/16/941595516.db2.gz RNXITXQPZCRKML-DMPWYTOCSA-N 2 0 372.484 3.910 20 0 FHADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1OCc1ccncc1 ZINC000415088051 941597058 /nfs/dbraw/zinc/59/70/58/941597058.db2.gz LNJVLPXSWRDCIF-VNCLNFNDSA-N 2 0 355.482 3.590 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000415117723 941613868 /nfs/dbraw/zinc/61/38/68/941613868.db2.gz ZYPAJMCOKOVDEF-IAGOWNOFSA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)C1 ZINC000415118917 941614589 /nfs/dbraw/zinc/61/45/89/941614589.db2.gz DSNCEHXKHFFNOC-NVXWUHKLSA-N 2 0 360.395 3.563 20 0 FHADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126032 941615442 /nfs/dbraw/zinc/61/54/42/941615442.db2.gz LWMRNFRGCQOBKX-UTKZUKDTSA-N 2 0 369.557 3.550 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000415122375 941617675 /nfs/dbraw/zinc/61/76/75/941617675.db2.gz IFIFRKOHKXTEAF-UNMCSNQZSA-N 2 0 358.526 3.726 20 0 FHADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000415124755 941620450 /nfs/dbraw/zinc/62/04/50/941620450.db2.gz RMBDXWSCTUGOJG-GJZGRUSLSA-N 2 0 370.368 3.936 20 0 FHADRP C[C@@H]1[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000415136300 941622313 /nfs/dbraw/zinc/62/23/13/941622313.db2.gz RKQODZUDESURNO-AJSBUHFISA-N 2 0 363.549 3.762 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415129320 941623136 /nfs/dbraw/zinc/62/31/36/941623136.db2.gz PFNGXZFTACKXNF-FCHUYYIVSA-N 2 0 360.542 3.830 20 0 FHADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415131918 941625143 /nfs/dbraw/zinc/62/51/43/941625143.db2.gz KFTCMFVLOLPPTL-IBGZPJMESA-N 2 0 369.528 3.730 20 0 FHADRP C[C@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000415139504 941626717 /nfs/dbraw/zinc/62/67/17/941626717.db2.gz XERRBQOOFGHIPA-GOSISDBHSA-N 2 0 355.501 3.512 20 0 FHADRP Cc1nnc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000892906152 941666602 /nfs/dbraw/zinc/66/66/02/941666602.db2.gz RTIVEVNOOKOMJB-UHFFFAOYSA-N 2 0 350.919 3.502 20 0 FHADRP Cn1nc(CCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1-c1ccc(F)cc1 ZINC000472754342 941682857 /nfs/dbraw/zinc/68/28/57/941682857.db2.gz PPPOZKDGAGFYOW-OAQYLSRUSA-N 2 0 372.532 3.965 20 0 FHADRP Cc1cc2oc(=O)cc(C[NH+]3CCC(C[NH+](C)C)CC3)c2cc1C(C)C ZINC000729266272 941705248 /nfs/dbraw/zinc/70/52/48/941705248.db2.gz UMMBHADEYSGMRH-UHFFFAOYSA-N 2 0 356.510 3.998 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000513214505 941785001 /nfs/dbraw/zinc/78/50/01/941785001.db2.gz OGAVGNBGWXURCS-LJQANCHMSA-N 2 0 359.558 3.913 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccc2OC)c1 ZINC000430006497 941805010 /nfs/dbraw/zinc/80/50/10/941805010.db2.gz NUPLJDDPFOZBQL-UHFFFAOYSA-N 2 0 364.493 3.622 20 0 FHADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000644530732 941827357 /nfs/dbraw/zinc/82/73/57/941827357.db2.gz LKYUPFSDIMSLDJ-NWSQWKLXSA-N 2 0 352.522 3.653 20 0 FHADRP O=C(CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccc1F ZINC000644530603 941827499 /nfs/dbraw/zinc/82/74/99/941827499.db2.gz JOLCFQNCCLKNAB-IBGZPJMESA-N 2 0 369.484 3.656 20 0 FHADRP O[C@]1(C(F)(F)F)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000644551467 941832136 /nfs/dbraw/zinc/83/21/36/941832136.db2.gz CUDCSUVVODOTCU-DHVPZBTDSA-N 2 0 368.443 3.618 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000513330393 941856467 /nfs/dbraw/zinc/85/64/67/941856467.db2.gz LFYZAYQAMNFJCX-AZUAARDMSA-N 2 0 365.606 3.904 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000513330396 941856896 /nfs/dbraw/zinc/85/68/96/941856896.db2.gz LFYZAYQAMNFJCX-UYAOXDASSA-N 2 0 365.606 3.904 20 0 FHADRP Fc1cc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)cc(F)c1F ZINC000513403510 941898997 /nfs/dbraw/zinc/89/89/97/941898997.db2.gz UZJWQNZVHKGGAB-UHFFFAOYSA-N 2 0 354.338 3.653 20 0 FHADRP CCOc1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513510282 941971745 /nfs/dbraw/zinc/97/17/45/941971745.db2.gz AWVLQYFUFFCFAP-ICSRJNTNSA-N 2 0 353.510 3.871 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000513499371 941972561 /nfs/dbraw/zinc/97/25/61/941972561.db2.gz GBKNASJAJAEKCC-JOCHJYFZSA-N 2 0 367.537 3.870 20 0 FHADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415781256 942048712 /nfs/dbraw/zinc/04/87/12/942048712.db2.gz CUCYDUWHEJZLIO-LEWJYISDSA-N 2 0 366.509 3.619 20 0 FHADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N(CCC[NH3+])CC3CCCC3)ccc21 ZINC000415789886 942053508 /nfs/dbraw/zinc/05/35/08/942053508.db2.gz OUDLCUXMNLKPCH-FQEVSTJZSA-N 2 0 358.530 3.608 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513652495 942056403 /nfs/dbraw/zinc/05/64/03/942056403.db2.gz ASSZPRTVQULMKO-NJDAHSKKSA-N 2 0 352.526 3.958 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000513661698 942070934 /nfs/dbraw/zinc/07/09/34/942070934.db2.gz VKFBBZHAUNMFOL-NQIIRXRSSA-N 2 0 371.569 3.911 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000415899827 942118744 /nfs/dbraw/zinc/11/87/44/942118744.db2.gz KFNUCGOGDJGTAV-UHFFFAOYSA-N 2 0 374.916 3.655 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000415905888 942134200 /nfs/dbraw/zinc/13/42/00/942134200.db2.gz VZOWZOSDRZQZGJ-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415914086 942136975 /nfs/dbraw/zinc/13/69/75/942136975.db2.gz UMEWZKFYAROXPG-HXUWFJFHSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000415916164 942139514 /nfs/dbraw/zinc/13/95/14/942139514.db2.gz AXPPEDKMUOCKJA-GOSISDBHSA-N 2 0 372.557 3.914 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000415911502 942145996 /nfs/dbraw/zinc/14/59/96/942145996.db2.gz JMKFLZNZSILUTA-UHFFFAOYSA-N 2 0 372.557 3.916 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)c1 ZINC000415931001 942156902 /nfs/dbraw/zinc/15/69/02/942156902.db2.gz KZMPXDPGZRIART-LJQANCHMSA-N 2 0 372.538 3.552 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000415927680 942163871 /nfs/dbraw/zinc/16/38/71/942163871.db2.gz DMMPQGUOPJNWSR-XLIONFOSSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931340 942166616 /nfs/dbraw/zinc/16/66/16/942166616.db2.gz KTGYNOMTTQRZQE-UWJYYQICSA-N 2 0 366.509 3.581 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000501991170 942167568 /nfs/dbraw/zinc/16/75/68/942167568.db2.gz VPNAINMLNNVJSW-JBACZVJFSA-N 2 0 359.558 3.570 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000415935667 942167786 /nfs/dbraw/zinc/16/77/86/942167786.db2.gz VAKITTGOGLZXJW-UHFFFAOYSA-N 2 0 372.557 3.964 20 0 FHADRP C[C@H](CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000472931385 942169463 /nfs/dbraw/zinc/16/94/63/942169463.db2.gz SLYQPJNLWZNCDH-QGZVFWFLSA-N 2 0 374.573 3.505 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415945953 942178827 /nfs/dbraw/zinc/17/88/27/942178827.db2.gz SGDNNDVQFAWGQU-XLIONFOSSA-N 2 0 366.509 3.753 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415947905 942180805 /nfs/dbraw/zinc/18/08/05/942180805.db2.gz XJSTXZLVGIKYPW-UHFFFAOYSA-N 2 0 360.546 3.772 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659878038 942183438 /nfs/dbraw/zinc/18/34/38/942183438.db2.gz YAMQWGAAKOKFEF-IBGZPJMESA-N 2 0 361.555 3.542 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000415954039 942195191 /nfs/dbraw/zinc/19/51/91/942195191.db2.gz LVTBRJPUKJQTNX-XLIONFOSSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415967188 942207093 /nfs/dbraw/zinc/20/70/93/942207093.db2.gz ATMMKTZZARQNSX-UHFFFAOYSA-N 2 0 368.525 3.782 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000415960289 942207550 /nfs/dbraw/zinc/20/75/50/942207550.db2.gz UWUTWIIHSICKID-SFHVURJKSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000415958772 942207704 /nfs/dbraw/zinc/20/77/04/942207704.db2.gz ROCBSAVNGVRVGF-SFHVURJKSA-N 2 0 358.486 3.594 20 0 FHADRP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000415978180 942220870 /nfs/dbraw/zinc/22/08/70/942220870.db2.gz XGEFLFFQPHZFQC-STQMWFEESA-N 2 0 372.435 3.549 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000415979943 942224177 /nfs/dbraw/zinc/22/41/77/942224177.db2.gz FJXDSWFQUZBMAA-OXQOHEQNSA-N 2 0 354.498 3.527 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415981000 942225356 /nfs/dbraw/zinc/22/53/56/942225356.db2.gz UJHPVKKDOGOJFT-KRWDZBQOSA-N 2 0 366.509 3.841 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000420931711 942260935 /nfs/dbraw/zinc/26/09/35/942260935.db2.gz GVLJAHINBJLQEM-HTAPYJJXSA-N 2 0 371.956 3.951 20 0 FHADRP Cc1cccc(C)c1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046525 942273679 /nfs/dbraw/zinc/27/36/79/942273679.db2.gz PPEVSRLPMXRYTR-UHFFFAOYSA-N 2 0 353.510 3.926 20 0 FHADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccsc1 ZINC000420998523 942296694 /nfs/dbraw/zinc/29/66/94/942296694.db2.gz BBWATKROOWLLDL-MRXNPFEDSA-N 2 0 351.560 3.509 20 0 FHADRP COc1ccc2cc(C[N@H+](C)CCCN3CC[NH+](C(C)C)CC3)ccc2c1 ZINC000501113580 942315878 /nfs/dbraw/zinc/31/58/78/942315878.db2.gz AVYPKCXPDLTERW-UHFFFAOYSA-N 2 0 369.553 3.696 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)C[C@@H](C)O1 ZINC000502273549 942325038 /nfs/dbraw/zinc/32/50/38/942325038.db2.gz KXGVBSAAUVTGQM-KNKQGSTJSA-N 2 0 372.553 3.735 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416156195 942415631 /nfs/dbraw/zinc/41/56/31/942415631.db2.gz FVCBWFBOBFCMAG-OAQYLSRUSA-N 2 0 359.558 3.650 20 0 FHADRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001167945208 942446340 /nfs/dbraw/zinc/44/63/40/942446340.db2.gz PQYDUEBTSYTAJJ-SFHVURJKSA-N 2 0 368.481 3.967 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)o1 ZINC000414828132 942466588 /nfs/dbraw/zinc/46/65/88/942466588.db2.gz ILBYUECMCPHDRK-KRWDZBQOSA-N 2 0 350.466 3.530 20 0 FHADRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414829525 942478000 /nfs/dbraw/zinc/47/80/00/942478000.db2.gz KSRFWELOYSBRPQ-MRXNPFEDSA-N 2 0 358.457 3.503 20 0 FHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829970 942480202 /nfs/dbraw/zinc/48/02/02/942480202.db2.gz BSCXFFRAUKXJEU-WDEREUQCSA-N 2 0 365.827 3.521 20 0 FHADRP CC[NH+]1CCC(CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501468693 942489884 /nfs/dbraw/zinc/48/98/84/942489884.db2.gz RPSVFJDFOILPBH-UHFFFAOYSA-N 2 0 361.274 3.939 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000421363608 942515453 /nfs/dbraw/zinc/51/54/53/942515453.db2.gz QGIFDCPHJHNBCU-WBVHZDCISA-N 2 0 370.497 3.518 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccn3CCC(C)C)CC2)CC1 ZINC000421372225 942523957 /nfs/dbraw/zinc/52/39/57/942523957.db2.gz KXOJOSIMJABVAA-UHFFFAOYSA-N 2 0 360.590 3.526 20 0 FHADRP c1ccc2cc(OCC[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2c1 ZINC000513816732 942534688 /nfs/dbraw/zinc/53/46/88/942534688.db2.gz SQSCOZKRXBYSPG-UHFFFAOYSA-N 2 0 368.521 3.653 20 0 FHADRP COc1ccc(OC)c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000395804032 942536490 /nfs/dbraw/zinc/53/64/90/942536490.db2.gz CDYSBMJLDIIWJH-TZIWHRDSSA-N 2 0 366.505 3.658 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000513831148 942546463 /nfs/dbraw/zinc/54/64/63/942546463.db2.gz LGIXXCOUAYBLKO-NRFANRHFSA-N 2 0 357.542 3.523 20 0 FHADRP CC[NH+](CC)CCCC1CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000181457386 942549783 /nfs/dbraw/zinc/54/97/83/942549783.db2.gz KPBMTMQHVFIBCP-OAQYLSRUSA-N 2 0 357.542 3.752 20 0 FHADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414839324 942549937 /nfs/dbraw/zinc/54/99/37/942549937.db2.gz VYYPQBWNFDREOA-MRXNPFEDSA-N 2 0 352.507 3.690 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430039540 942563495 /nfs/dbraw/zinc/56/34/95/942563495.db2.gz MLFPTZWWFJLFQP-AWEZNQCLSA-N 2 0 357.876 3.617 20 0 FHADRP C[NH+](C)CCCC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000501613675 942575650 /nfs/dbraw/zinc/57/56/50/942575650.db2.gz DUEORZWJQHCIOY-UHFFFAOYSA-N 2 0 371.569 3.867 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC(C[NH3+])CC2)on1 ZINC000420270877 942593637 /nfs/dbraw/zinc/59/36/37/942593637.db2.gz JWTFWASDMQUOAV-UHFFFAOYSA-N 2 0 351.450 3.674 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513919924 942595145 /nfs/dbraw/zinc/59/51/45/942595145.db2.gz HAYZTQMWHPEQOR-PKOBYXMFSA-N 2 0 359.558 3.570 20 0 FHADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302295 942611047 /nfs/dbraw/zinc/61/10/47/942611047.db2.gz JNEKNXARHSDSAX-ZDUSSCGKSA-N 2 0 358.313 3.644 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000420302351 942611355 /nfs/dbraw/zinc/61/13/55/942611355.db2.gz JSNZCQMQGUPUPP-AZUAARDMSA-N 2 0 370.493 3.592 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000420307096 942612992 /nfs/dbraw/zinc/61/29/92/942612992.db2.gz QYYKXZVKKYMSCM-POHNSKBLSA-N 2 0 363.590 3.560 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000420307097 942613189 /nfs/dbraw/zinc/61/31/89/942613189.db2.gz QYYKXZVKKYMSCM-XAYQJVIWSA-N 2 0 363.590 3.560 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000420309485 942613720 /nfs/dbraw/zinc/61/37/20/942613720.db2.gz TZEVGXZHICWIEU-KRWDZBQOSA-N 2 0 360.523 3.600 20 0 FHADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420309982 942615302 /nfs/dbraw/zinc/61/53/02/942615302.db2.gz LVEYWPMHCUPQJW-SFHVURJKSA-N 2 0 363.505 3.511 20 0 FHADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000163973594 942618044 /nfs/dbraw/zinc/61/80/44/942618044.db2.gz WKEYHHYTSVAJAG-SFHVURJKSA-N 2 0 372.509 3.928 20 0 FHADRP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420319491 942619983 /nfs/dbraw/zinc/61/99/83/942619983.db2.gz AEYGZMPYGPSBOD-KBPBESRZSA-N 2 0 363.477 3.910 20 0 FHADRP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000420343424 942626136 /nfs/dbraw/zinc/62/61/36/942626136.db2.gz YXDZPJHAPSFWAY-SFHVURJKSA-N 2 0 357.523 3.783 20 0 FHADRP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347377 942627699 /nfs/dbraw/zinc/62/76/99/942627699.db2.gz YHTMLRRXAVMCDN-IYBDPMFKSA-N 2 0 356.432 3.796 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](CCCSc2ccccc2Cl)CC12CCOCC2 ZINC000420326288 942629423 /nfs/dbraw/zinc/62/94/23/942629423.db2.gz JSJBLMSPPPJWDA-HNNXBMFYSA-N 2 0 354.947 3.510 20 0 FHADRP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334395 942632492 /nfs/dbraw/zinc/63/24/92/942632492.db2.gz GIELLBQYIAXKFH-FCHUYYIVSA-N 2 0 363.505 3.830 20 0 FHADRP OC1(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000414528277 942632773 /nfs/dbraw/zinc/63/27/73/942632773.db2.gz SZAOVLOCZRKCPU-DAXSKMNVSA-N 2 0 372.459 3.595 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000420376550 942645514 /nfs/dbraw/zinc/64/55/14/942645514.db2.gz JYVWRULERKZGCR-AZUAARDMSA-N 2 0 366.933 3.846 20 0 FHADRP Cc1cc(OCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C(C)C ZINC000420380762 942647546 /nfs/dbraw/zinc/64/75/46/942647546.db2.gz CEPURMNDAVFQTP-DENIHFKCSA-N 2 0 360.542 3.716 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000501745663 942648409 /nfs/dbraw/zinc/64/84/09/942648409.db2.gz WUAGBJDSGBFDLZ-HXUWFJFHSA-N 2 0 373.541 3.754 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420388528 942650254 /nfs/dbraw/zinc/65/02/54/942650254.db2.gz LDGAXBHEJGZLRH-QIIPPGSGSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000420390214 942651804 /nfs/dbraw/zinc/65/18/04/942651804.db2.gz ZAPLONWNKALALN-XZOQPEGZSA-N 2 0 368.521 3.827 20 0 FHADRP CC(C)(C)c1ccc(OCCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420391115 942652241 /nfs/dbraw/zinc/65/22/41/942652241.db2.gz OBQQHSHLUIMSGW-RBBKRZOGSA-N 2 0 374.569 3.971 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000420395482 942653844 /nfs/dbraw/zinc/65/38/44/942653844.db2.gz DLJGKQZBUMPMTR-AHRSYUTCSA-N 2 0 360.885 3.511 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420393682 942653863 /nfs/dbraw/zinc/65/38/63/942653863.db2.gz QPCOOJMIRPVKMX-RPVQJOFSSA-N 2 0 354.441 3.567 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000420396321 942654413 /nfs/dbraw/zinc/65/44/13/942654413.db2.gz VQHGEKIPXGLCHD-GMAHTHKFSA-N 2 0 352.522 3.991 20 0 FHADRP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420403502 942661651 /nfs/dbraw/zinc/66/16/51/942661651.db2.gz LAGJBEOQAJNBDW-HKUYNNGSSA-N 2 0 351.494 3.599 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(C)c(C)o3)cc2)CC1 ZINC000502705931 942673043 /nfs/dbraw/zinc/67/30/43/942673043.db2.gz CUBSNTMVYGJGPI-GOSISDBHSA-N 2 0 355.526 3.885 20 0 FHADRP Cc1nc(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000502719304 942681583 /nfs/dbraw/zinc/68/15/83/942681583.db2.gz XBLDJCPPICJEMD-UHFFFAOYSA-N 2 0 355.551 3.982 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cccnc2OC)ccc1OC ZINC000182349335 942721016 /nfs/dbraw/zinc/72/10/16/942721016.db2.gz GGGXGQPEMLMJGH-INIZCTEOSA-N 2 0 357.498 3.791 20 0 FHADRP CC[C@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC)[NH+](C)C ZINC000514077196 942729593 /nfs/dbraw/zinc/72/95/93/942729593.db2.gz MZDNSWAQRGJOGJ-SJORKVTESA-N 2 0 373.463 3.545 20 0 FHADRP Cc1[nH]nc2ncc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc12 ZINC000513754171 942736029 /nfs/dbraw/zinc/73/60/29/942736029.db2.gz IPWGBLSSHKQHFD-UHFFFAOYSA-N 2 0 363.509 3.610 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3cc(C)ccn3)CC2)c1 ZINC000514087377 942738942 /nfs/dbraw/zinc/73/89/42/942738942.db2.gz GYMGICDMCAAIOJ-OAQYLSRUSA-N 2 0 366.553 3.951 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000514089128 942740932 /nfs/dbraw/zinc/74/09/32/942740932.db2.gz ORYXMBWSQVIEPK-BZSNNMDCSA-N 2 0 356.432 3.728 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000514089997 942741046 /nfs/dbraw/zinc/74/10/46/942741046.db2.gz SGLQULBSAJBQEG-ACRUOGEOSA-N 2 0 351.494 3.623 20 0 FHADRP COC(=O)c1csc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000514094242 942744128 /nfs/dbraw/zinc/74/41/28/942744128.db2.gz MQXLHMUIZCOQRK-XHSDSOJGSA-N 2 0 352.544 3.943 20 0 FHADRP C[N@H+](CCCO[C@H]1CCCCO1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000514130499 942763121 /nfs/dbraw/zinc/76/31/21/942763121.db2.gz LGAOQZVTANIYGL-NRFANRHFSA-N 2 0 361.530 3.553 20 0 FHADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514237480 942852071 /nfs/dbraw/zinc/85/20/71/942852071.db2.gz JBKWEGNLBWLLHW-UHFFFAOYSA-N 2 0 368.399 3.512 20 0 FHADRP CN(CCCC[NH+]1CCCCC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000641661149 942935450 /nfs/dbraw/zinc/93/54/50/942935450.db2.gz INXJOBRTAMMFJH-UHFFFAOYSA-N 2 0 371.569 3.623 20 0 FHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCNCc1cccnc1 ZINC000414856898 943016255 /nfs/dbraw/zinc/01/62/55/943016255.db2.gz BIKBDJPQUPFRTF-HNNXBMFYSA-N 2 0 362.315 3.545 20 0 FHADRP COc1cc(CN[C@@H](C[NH3+])C2CCCCC2)ccc1OCc1ccncc1 ZINC000414856972 943030763 /nfs/dbraw/zinc/03/07/63/943030763.db2.gz ZVHPHXITIBMAGZ-FQEVSTJZSA-N 2 0 369.509 3.666 20 0 FHADRP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000414662364 943145687 /nfs/dbraw/zinc/14/56/87/943145687.db2.gz RDMDRHKSCZTPHE-AVRDEDQJSA-N 2 0 360.505 3.768 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663851 943151105 /nfs/dbraw/zinc/15/11/05/943151105.db2.gz RYBAPJOXWVAUEB-QAPCUYQASA-N 2 0 358.457 3.582 20 0 FHADRP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422687692 943227380 /nfs/dbraw/zinc/22/73/80/943227380.db2.gz BVWRKPMTHMLMLI-UZLBHIALSA-N 2 0 355.482 3.880 20 0 FHADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000422711380 943243886 /nfs/dbraw/zinc/24/38/86/943243886.db2.gz FWENVBZOQMECTF-ZZJWQFMZSA-N 2 0 369.475 3.961 20 0 FHADRP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccncc1 ZINC000422693831 943247314 /nfs/dbraw/zinc/24/73/14/943247314.db2.gz MRIYSXOICLXFGC-LATSOQNDSA-N 2 0 367.493 3.603 20 0 FHADRP COCC[N@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713381 943254244 /nfs/dbraw/zinc/25/42/44/943254244.db2.gz JOIXIEWTJPORLM-WZYRSQIMSA-N 2 0 373.585 3.596 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422716014 943254847 /nfs/dbraw/zinc/25/48/47/943254847.db2.gz SXOSMJPIYZXDBR-WIYYLYMNSA-N 2 0 360.542 3.783 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422716012 943255209 /nfs/dbraw/zinc/25/52/09/943255209.db2.gz SXOSMJPIYZXDBR-NQIIRXRSSA-N 2 0 360.542 3.783 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)CC[NH2+]CC1 ZINC000422724983 943259921 /nfs/dbraw/zinc/25/99/21/943259921.db2.gz ACSXQMGOPOTZKZ-GOSISDBHSA-N 2 0 366.505 3.687 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000273041459 943264201 /nfs/dbraw/zinc/26/42/01/943264201.db2.gz IQUMERBJFOJWNT-OALUTQOASA-N 2 0 359.558 3.512 20 0 FHADRP CN(CCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422745256 943269458 /nfs/dbraw/zinc/26/94/58/943269458.db2.gz XLIKNWPWMOTXGB-GGAORHGYSA-N 2 0 365.521 3.749 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000422748860 943270344 /nfs/dbraw/zinc/27/03/44/943270344.db2.gz WNTGUGRJUZRHPA-AEFFLSMTSA-N 2 0 352.526 3.725 20 0 FHADRP CCOc1cc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1OC ZINC000422756516 943274478 /nfs/dbraw/zinc/27/44/78/943274478.db2.gz LPBWLVTYVKQTCZ-XUVXKRRUSA-N 2 0 360.542 3.927 20 0 FHADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422768903 943275693 /nfs/dbraw/zinc/27/56/93/943275693.db2.gz VCCQKZCCQHVSQM-KVJIRVJXSA-N 2 0 357.542 3.564 20 0 FHADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768800 943276340 /nfs/dbraw/zinc/27/63/40/943276340.db2.gz UYLKECMGERJJEP-SKWUIDRYSA-N 2 0 369.475 3.676 20 0 FHADRP COc1ccc(C[C@H]([NH2+]C2CCC([NH3+])CC2)c2ccc(OC)cc2)cc1 ZINC000422770953 943276685 /nfs/dbraw/zinc/27/66/85/943276685.db2.gz QVGGVNGCTFUFDJ-AJTFCVKESA-N 2 0 354.494 3.847 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422771040 943276864 /nfs/dbraw/zinc/27/68/64/943276864.db2.gz XKTAQUIBABYEER-PCCBWWKXSA-N 2 0 360.517 3.774 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[NH2+]CC1 ZINC000422773336 943277325 /nfs/dbraw/zinc/27/73/25/943277325.db2.gz YJIDKUFHMCEDST-KSSFIOAISA-N 2 0 364.917 3.702 20 0 FHADRP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422787845 943283235 /nfs/dbraw/zinc/28/32/35/943283235.db2.gz AGQGOYHVSRESFV-FDFHNCONSA-N 2 0 370.468 3.865 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000422797027 943287193 /nfs/dbraw/zinc/28/71/93/943287193.db2.gz KXXUDGAWKWCASB-DXBBTUNJSA-N 2 0 359.558 3.588 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799553 943288035 /nfs/dbraw/zinc/28/80/35/943288035.db2.gz XFVMQOXONMSJFK-BNEJOLLZSA-N 2 0 367.331 3.727 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000422804860 943289451 /nfs/dbraw/zinc/28/94/51/943289451.db2.gz GAVXAVJGXQEXBM-SNVBAGLBSA-N 2 0 352.251 3.601 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422812612 943292269 /nfs/dbraw/zinc/29/22/69/943292269.db2.gz XXIXXJLCEDEACI-ZAOYMGCJSA-N 2 0 365.477 3.552 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000396656581 943292421 /nfs/dbraw/zinc/29/24/21/943292421.db2.gz VXVSPRFXIPPCAU-RCCFBDPRSA-N 2 0 355.567 3.875 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422813097 943292494 /nfs/dbraw/zinc/29/24/94/943292494.db2.gz RLAGHQHQVSHLJY-HRCADAONSA-N 2 0 354.441 3.697 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422790594 943293884 /nfs/dbraw/zinc/29/38/84/943293884.db2.gz VCIHNBVKQPKWHD-ZDUSSCGKSA-N 2 0 374.326 3.994 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422822839 943295885 /nfs/dbraw/zinc/29/58/85/943295885.db2.gz KUNQQDYUEJMVJL-CEXWTWQISA-N 2 0 358.526 3.636 20 0 FHADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422828861 943297963 /nfs/dbraw/zinc/29/79/63/943297963.db2.gz BNJRPZQZGLDKLH-CWJKEVGVSA-N 2 0 361.599 3.861 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000422836565 943301314 /nfs/dbraw/zinc/30/13/14/943301314.db2.gz KIUXCFMDMLEAIM-FUHIMQAGSA-N 2 0 352.526 3.552 20 0 FHADRP CC[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422817424 943303149 /nfs/dbraw/zinc/30/31/49/943303149.db2.gz HQCKARNHJSDWIJ-ZWDAVXSWSA-N 2 0 370.468 3.829 20 0 FHADRP c1cc(OC2CCCCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422850127 943304665 /nfs/dbraw/zinc/30/46/65/943304665.db2.gz MVHGNLNNLFGMCW-YPAWHYETSA-N 2 0 358.526 3.645 20 0 FHADRP CC(C)[C@@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[NH+]1CCC(C)CC1 ZINC000422851545 943306520 /nfs/dbraw/zinc/30/65/20/943306520.db2.gz XCASCPVLQPSVHN-XPNTWCBSSA-N 2 0 371.569 3.588 20 0 FHADRP CCCCOc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422868283 943310828 /nfs/dbraw/zinc/31/08/28/943310828.db2.gz UUDVPUNREYKXIS-OAHLLOKOSA-N 2 0 357.498 3.887 20 0 FHADRP [NH3+]CC1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000422842849 943311672 /nfs/dbraw/zinc/31/16/72/943311672.db2.gz GQDPAZKBAYBQOS-JMLCCBQJSA-N 2 0 353.913 3.723 20 0 FHADRP COc1ccccc1C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422844601 943312849 /nfs/dbraw/zinc/31/28/49/943312849.db2.gz MIHVRYHLBHUSIZ-XXBNENTESA-N 2 0 364.489 3.572 20 0 FHADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000514824905 943313795 /nfs/dbraw/zinc/31/37/95/943313795.db2.gz BUDKXTQGPNMAJU-JTHBVZDNSA-N 2 0 374.488 3.526 20 0 FHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422881171 943315162 /nfs/dbraw/zinc/31/51/62/943315162.db2.gz PRVFBFYVWHGTRU-YPAWHYETSA-N 2 0 374.569 3.746 20 0 FHADRP COc1ccc([C@@H](NCCCC[NH+]2CCC(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422882059 943315632 /nfs/dbraw/zinc/31/56/32/943315632.db2.gz OWKVRMRVKGYBKJ-FGZHOGPDSA-N 2 0 359.558 3.590 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCC[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422888013 943318394 /nfs/dbraw/zinc/31/83/94/943318394.db2.gz ZPSPZVNTICEWKZ-BWAGFHJFSA-N 2 0 359.558 3.590 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422888428 943318897 /nfs/dbraw/zinc/31/88/97/943318897.db2.gz CUCUBAFXWJTBJK-RDTXWAMCSA-N 2 0 352.400 3.676 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422899418 943324480 /nfs/dbraw/zinc/32/44/80/943324480.db2.gz HMCLALSHJXFPPK-BMGDILEWSA-N 2 0 370.459 3.859 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422902191 943325203 /nfs/dbraw/zinc/32/52/03/943325203.db2.gz TZKNXWNCUWYCQF-XPWALMASSA-N 2 0 355.570 3.860 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422905141 943325802 /nfs/dbraw/zinc/32/58/02/943325802.db2.gz YQJUHOCOIPOPKA-KNQAVFIVSA-N 2 0 352.453 3.703 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422904571 943326772 /nfs/dbraw/zinc/32/67/72/943326772.db2.gz XOLUXJIXXYHWKZ-SXLOBPIMSA-N 2 0 358.526 3.624 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422911227 943328401 /nfs/dbraw/zinc/32/84/01/943328401.db2.gz KKJUMUFQEVVDAN-YTFSRNRJSA-N 3 0 371.569 3.562 20 0 FHADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915415 943329451 /nfs/dbraw/zinc/32/94/51/943329451.db2.gz YCPDWDQIYGWDLV-OWCLPIDISA-N 2 0 362.468 3.874 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCC3)cc1 ZINC000422913748 943329615 /nfs/dbraw/zinc/32/96/15/943329615.db2.gz ZHZKDGOOTDJJAG-NVXWUHKLSA-N 2 0 357.523 3.928 20 0 FHADRP FC(F)n1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2ccccc21 ZINC000422915414 943329659 /nfs/dbraw/zinc/32/96/59/943329659.db2.gz YCPDWDQIYGWDLV-HRCADAONSA-N 2 0 362.468 3.874 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422924361 943332807 /nfs/dbraw/zinc/33/28/07/943332807.db2.gz ASRKPEVSKVJLOC-GHTZIAJQSA-N 2 0 357.542 3.713 20 0 FHADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422925366 943333172 /nfs/dbraw/zinc/33/31/72/943333172.db2.gz BNOLUAZWMHEJPM-BPQIPLTHSA-N 2 0 364.917 3.554 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414704955 943336300 /nfs/dbraw/zinc/33/63/00/943336300.db2.gz DZLKEBRAKCGVTC-KRWDZBQOSA-N 2 0 368.472 3.555 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422940105 943339197 /nfs/dbraw/zinc/33/91/97/943339197.db2.gz IQUJYENRYXONCA-GFCCVEGCSA-N 2 0 353.388 3.597 20 0 FHADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422942173 943339520 /nfs/dbraw/zinc/33/95/20/943339520.db2.gz IWVXKIGLYTZFMW-GJZGRUSLSA-N 2 0 359.539 3.936 20 0 FHADRP O=C(CC[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)Nc1cccnc1 ZINC000514856046 943340985 /nfs/dbraw/zinc/34/09/85/943340985.db2.gz NKBFPWCQZITTHC-UHFFFAOYSA-N 2 0 366.509 3.576 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000422944019 943341235 /nfs/dbraw/zinc/34/12/35/943341235.db2.gz LYSJCYRQOBNYAB-HNNXBMFYSA-N 2 0 373.928 3.901 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000422919579 943341697 /nfs/dbraw/zinc/34/16/97/943341697.db2.gz KCCWSMBUSHNKCC-DENIHFKCSA-N 2 0 356.510 3.571 20 0 FHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422966831 943343471 /nfs/dbraw/zinc/34/34/71/943343471.db2.gz NZJCAMKSVVTKCZ-DNVJHFABSA-N 2 0 350.506 3.909 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422949362 943346173 /nfs/dbraw/zinc/34/61/73/943346173.db2.gz TWHZQQBIDYCCOZ-OLMNPRSZSA-N 2 0 366.347 3.525 20 0 FHADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949515 943346837 /nfs/dbraw/zinc/34/68/37/943346837.db2.gz VKJWGKRYBXNZFU-MZKRTTBSSA-N 2 0 364.489 3.918 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1 ZINC000431922378 943347000 /nfs/dbraw/zinc/34/70/00/943347000.db2.gz KSNFJGYSYPVYET-ROUUACIJSA-N 2 0 351.560 3.512 20 0 FHADRP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000514867079 943348931 /nfs/dbraw/zinc/34/89/31/943348931.db2.gz IOFMGDCJPMGBKP-HXUWFJFHSA-N 2 0 352.478 3.687 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422955764 943349416 /nfs/dbraw/zinc/34/94/16/943349416.db2.gz NKEKSRQAZMECQV-DYESRHJHSA-N 2 0 355.551 3.606 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422960153 943350929 /nfs/dbraw/zinc/35/09/29/943350929.db2.gz VLIYLOIAIADGHF-RHSMWYFYSA-N 2 0 362.905 3.833 20 0 FHADRP COc1ccc([C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422961178 943351306 /nfs/dbraw/zinc/35/13/06/943351306.db2.gz AZFQOQPUENCJLV-ONTIZHBOSA-N 2 0 369.509 3.508 20 0 FHADRP CC[N@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435373787 943355083 /nfs/dbraw/zinc/35/50/83/943355083.db2.gz VMGMSNFLYJVVBT-HXUWFJFHSA-N 2 0 369.509 3.633 20 0 FHADRP C[C@@H]1CN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000435374342 943355885 /nfs/dbraw/zinc/35/58/85/943355885.db2.gz QKUBDHFYRVWUAF-KUHUBIRLSA-N 2 0 357.885 3.761 20 0 FHADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000422979839 943357054 /nfs/dbraw/zinc/35/70/54/943357054.db2.gz KMJDRERBEWERDL-XPWALMASSA-N 2 0 371.569 3.614 20 0 FHADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895749 943357169 /nfs/dbraw/zinc/35/71/69/943357169.db2.gz BLSIUFZUYWUYRJ-NKKJXINNSA-N 2 0 367.581 3.871 20 0 FHADRP CCOc1cc(C[NH+]2CCC(CC[NH2+]C)CC2)ccc1OCC(F)(F)F ZINC000435375976 943357276 /nfs/dbraw/zinc/35/72/76/943357276.db2.gz XKVGNJOFCRXLAO-UHFFFAOYSA-N 2 0 374.447 3.848 20 0 FHADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000514895752 943357315 /nfs/dbraw/zinc/35/73/15/943357315.db2.gz BLSIUFZUYWUYRJ-ZTCOLXNVSA-N 2 0 367.581 3.871 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000414708323 943357824 /nfs/dbraw/zinc/35/78/24/943357824.db2.gz IVTQKBSSCJBCIE-GOSISDBHSA-N 2 0 358.530 3.715 20 0 FHADRP Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)n(-c2ccccc2)n1 ZINC000423002020 943361755 /nfs/dbraw/zinc/36/17/55/943361755.db2.gz YCYQJGZDSNSAST-NVXWUHKLSA-N 2 0 363.509 3.625 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC1CC[NH+](C)CC1 ZINC000514886759 943362095 /nfs/dbraw/zinc/36/20/95/943362095.db2.gz HVXRRAKRXRYEGY-CYBMUJFWSA-N 2 0 357.311 3.841 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371587 943364812 /nfs/dbraw/zinc/36/48/12/943364812.db2.gz NSCAAHZVWODVSJ-MJGOQNOKSA-N 2 0 352.526 3.784 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014462 943364843 /nfs/dbraw/zinc/36/48/43/943364843.db2.gz PDNZXZMEYKCDLS-SMDDNHRTSA-N 2 0 365.827 3.630 20 0 FHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435371175 943364883 /nfs/dbraw/zinc/36/48/83/943364883.db2.gz LPKJLUXJVOFTKH-GDBMZVCRSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](c1ccccc1)N(C)C ZINC000423048709 943368795 /nfs/dbraw/zinc/36/87/95/943368795.db2.gz IKXXIAKGCAMVMZ-NOHMWWQBSA-N 2 0 365.521 3.523 20 0 FHADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022894 943369159 /nfs/dbraw/zinc/36/91/59/943369159.db2.gz IMYLTRKAPRGFRW-ARKSPBFVSA-N 2 0 353.913 3.592 20 0 FHADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022901 943369735 /nfs/dbraw/zinc/36/97/35/943369735.db2.gz IMYLTRKAPRGFRW-UAFONNFLSA-N 2 0 353.913 3.592 20 0 FHADRP COc1cccc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000505682588 943369851 /nfs/dbraw/zinc/36/98/51/943369851.db2.gz FWYZCWMJEPFWNR-UHFFFAOYSA-N 2 0 367.537 3.858 20 0 FHADRP COc1ccc([C@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423025777 943370183 /nfs/dbraw/zinc/37/01/83/943370183.db2.gz MKXATIDCZOHBJP-VXKWHMMOSA-N 2 0 353.510 3.970 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423026659 943370690 /nfs/dbraw/zinc/37/06/90/943370690.db2.gz BUBCDJATCLZCGR-YJBOKZPZSA-N 2 0 360.477 3.709 20 0 FHADRP c1ccc2c(c1)c1ccccc1n2CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423038694 943373793 /nfs/dbraw/zinc/37/37/93/943373793.db2.gz ZAPXKMXEEFZTHF-NJDAHSKKSA-N 2 0 363.505 3.541 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000435387043 943374792 /nfs/dbraw/zinc/37/47/92/943374792.db2.gz WOGUIXUQNHWKIF-UHFFFAOYSA-N 2 0 360.933 3.633 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000423043271 943375194 /nfs/dbraw/zinc/37/51/94/943375194.db2.gz OCHVWZXSIOPAOO-FDDYUBGGSA-N 2 0 351.485 3.596 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000423042168 943375253 /nfs/dbraw/zinc/37/52/53/943375253.db2.gz KJJXIBHJYQAPCH-UZLBHIALSA-N 2 0 374.500 3.673 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423056468 943376739 /nfs/dbraw/zinc/37/67/39/943376739.db2.gz FXJHFQIUYQCHSI-NKGKWGDASA-N 2 0 356.432 3.556 20 0 FHADRP CSCc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423060649 943378338 /nfs/dbraw/zinc/37/83/38/943378338.db2.gz OUUDENHBUPMXFG-PZJWPPBQSA-N 2 0 354.519 3.895 20 0 FHADRP COc1ccc([C@H](C)C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435394157 943380525 /nfs/dbraw/zinc/38/05/25/943380525.db2.gz MOCKYLLLRYTNKV-NQIIRXRSSA-N 2 0 353.510 3.838 20 0 FHADRP CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1Cl ZINC000423073408 943382627 /nfs/dbraw/zinc/38/26/27/943382627.db2.gz RKNCGGHAEBLTDT-QXAKKESOSA-N 2 0 366.933 3.766 20 0 FHADRP Brc1cccc(C[C@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000423054209 943385002 /nfs/dbraw/zinc/38/50/02/943385002.db2.gz UBXQYZZVYLZUKM-ROUUACIJSA-N 2 0 351.332 3.892 20 0 FHADRP CCCNc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078669 943386527 /nfs/dbraw/zinc/38/65/27/943386527.db2.gz WLPOTIWGZFAIEI-UNMCSNQZSA-N 2 0 351.494 3.854 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000423088924 943390861 /nfs/dbraw/zinc/39/08/61/943390861.db2.gz RHKJVMHKHHAANZ-KYNGSXCRSA-N 2 0 372.310 3.762 20 0 FHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423092166 943391407 /nfs/dbraw/zinc/39/14/07/943391407.db2.gz ATWYVKYJVPMSKZ-JXYHXMIBSA-N 2 0 352.453 3.917 20 0 FHADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000423096497 943392568 /nfs/dbraw/zinc/39/25/68/943392568.db2.gz PBHAPCBNZICEDH-ROUUACIJSA-N 2 0 350.384 3.905 20 0 FHADRP CSCc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100464 943394070 /nfs/dbraw/zinc/39/40/70/943394070.db2.gz BTWXHLLROSYVMU-CTNGQTDRSA-N 2 0 354.519 3.895 20 0 FHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423123147 943397892 /nfs/dbraw/zinc/39/78/92/943397892.db2.gz DGMTWZINNOKRNV-UZSDIVCKSA-N 2 0 352.453 3.917 20 0 FHADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423106408 943402123 /nfs/dbraw/zinc/40/21/23/943402123.db2.gz ZWFMWDUDJCTACI-KURKYZTESA-N 2 0 356.432 3.681 20 0 FHADRP CSc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N(C)C)cc1 ZINC000423144752 943406650 /nfs/dbraw/zinc/40/66/50/943406650.db2.gz HVJXEPYSEOMDBB-VBKZILBWSA-N 2 0 358.555 3.524 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000423152798 943410875 /nfs/dbraw/zinc/41/08/75/943410875.db2.gz MLEHWZWMANDKCW-QGZVFWFLSA-N 2 0 352.526 3.554 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423138520 943415895 /nfs/dbraw/zinc/41/58/95/943415895.db2.gz TVLRKXDNCZWZKK-OXQOHEQNSA-N 2 0 370.566 3.602 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423139572 943416367 /nfs/dbraw/zinc/41/63/67/943416367.db2.gz VNDMNZGGYJVYIM-CQSZACIVSA-N 2 0 371.554 3.567 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000503912342 943417056 /nfs/dbraw/zinc/41/70/56/943417056.db2.gz NKMBKMYVMOZFJB-UHFFFAOYSA-N 2 0 354.542 3.678 20 0 FHADRP Brc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206078 943431030 /nfs/dbraw/zinc/43/10/30/943431030.db2.gz FSPTVABHYKBLJU-KSSFIOAISA-N 2 0 367.331 3.506 20 0 FHADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000187120468 943436149 /nfs/dbraw/zinc/43/61/49/943436149.db2.gz CFYQFMMTXALAMS-APWZRJJASA-N 2 0 365.562 3.629 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)[C@H]3C2)cc1 ZINC000423215896 943446426 /nfs/dbraw/zinc/44/64/26/943446426.db2.gz PDADYADARLAQSS-VZXCTWEBSA-N 3 0 353.554 3.550 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(C)C ZINC000504008317 943455653 /nfs/dbraw/zinc/45/56/53/943455653.db2.gz QCLPPEQTWMQFNK-OAQYLSRUSA-N 2 0 374.573 3.584 20 0 FHADRP Brc1cccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CCOCC2)c1 ZINC000423241616 943456209 /nfs/dbraw/zinc/45/62/09/943456209.db2.gz DLHALTTUMPGMPV-KDOFPFPSSA-N 2 0 367.331 3.506 20 0 FHADRP Clc1ccccc1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243063 943456849 /nfs/dbraw/zinc/45/68/49/943456849.db2.gz GDHVOBNKJUVIGP-QVKFZJNVSA-N 2 0 372.896 3.790 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423246876 943458679 /nfs/dbraw/zinc/45/86/79/943458679.db2.gz KLATZESMBSFEOD-XHBSWPGZSA-N 2 0 355.345 3.821 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000423252629 943460252 /nfs/dbraw/zinc/46/02/52/943460252.db2.gz XXBGKZXPWODVHM-COPCDDAFSA-N 2 0 361.574 3.536 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423260503 943462615 /nfs/dbraw/zinc/46/26/15/943462615.db2.gz QFQCJAICUZJMRV-CZUORRHYSA-N 2 0 353.304 3.642 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423293468 943466059 /nfs/dbraw/zinc/46/60/59/943466059.db2.gz RKKLDXSSFKFLDK-LSDHHAIUSA-N 2 0 352.482 3.841 20 0 FHADRP Brc1ccccc1C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423267436 943466566 /nfs/dbraw/zinc/46/65/66/943466566.db2.gz DZNNWPVEQAHZHR-RDTXWAMCSA-N 2 0 351.332 3.750 20 0 FHADRP COCCC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423344265 943477738 /nfs/dbraw/zinc/47/77/38/943477738.db2.gz XLSDBOZRQSUXET-ROUUACIJSA-N 2 0 369.347 3.896 20 0 FHADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2ccccc2N(C)C)cc1 ZINC000423346046 943478605 /nfs/dbraw/zinc/47/86/05/943478605.db2.gz YHPHUVHSOGBWBJ-CZAAIQMYSA-N 2 0 353.510 3.558 20 0 FHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423325912 943480635 /nfs/dbraw/zinc/48/06/35/943480635.db2.gz JZTQXQUSQWLWKG-LLVKDONJSA-N 2 0 364.383 3.930 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066350 943484443 /nfs/dbraw/zinc/48/44/43/943484443.db2.gz OXSICUYSHQHPRE-YMPZKCBVSA-N 2 0 355.570 3.847 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423352152 943487714 /nfs/dbraw/zinc/48/77/14/943487714.db2.gz JWNULAOQRHLFEF-OPAMFIHVSA-N 2 0 353.510 3.937 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423368635 943493017 /nfs/dbraw/zinc/49/30/17/943493017.db2.gz BGCOUPMJYHCLMN-LAUBAEHRSA-N 2 0 357.542 3.626 20 0 FHADRP Brc1cccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423368557 943493742 /nfs/dbraw/zinc/49/37/42/943493742.db2.gz RZKQHTLGQYPHFX-QZTJIDSGSA-N 2 0 367.331 3.649 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000423383819 943497083 /nfs/dbraw/zinc/49/70/83/943497083.db2.gz PQDBOMXYSCSSFO-PERKRYKHSA-N 2 0 354.494 3.718 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)CCC3)cc1 ZINC000423388854 943498769 /nfs/dbraw/zinc/49/87/69/943498769.db2.gz JDJOSEMYCJSUOP-KBRIMQKVSA-N 2 0 357.523 3.784 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423395107 943500489 /nfs/dbraw/zinc/50/04/89/943500489.db2.gz RRVBHMLNIIQGCU-GFCCVEGCSA-N 2 0 363.274 3.912 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2sc(Cc3ccccc3)nc2C)CC[NH2+]CC1 ZINC000423395660 943500817 /nfs/dbraw/zinc/50/08/17/943500817.db2.gz AMKAKOPXKZOHCD-MRXNPFEDSA-N 2 0 373.566 3.709 20 0 FHADRP COCC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC[NH2+]CC1 ZINC000423408533 943509288 /nfs/dbraw/zinc/50/92/88/943509288.db2.gz OUSIAZBIKPSWCC-KRWDZBQOSA-N 2 0 371.550 3.793 20 0 FHADRP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1-c1cc(C)ccc1C ZINC000423428757 943515495 /nfs/dbraw/zinc/51/54/95/943515495.db2.gz GSNITOOKJKAOAX-LKUPVBHCSA-N 2 0 352.526 3.836 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3C[C@H]3c3cccs3)cn2)CC1 ZINC000417324092 943516078 /nfs/dbraw/zinc/51/60/78/943516078.db2.gz PMQNUMFHQPUQRT-YTQUADARSA-N 2 0 370.566 3.567 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423431373 943517235 /nfs/dbraw/zinc/51/72/35/943517235.db2.gz VEBSOABMNBHBMC-BZSNNMDCSA-N 2 0 360.546 3.976 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000423468990 943524210 /nfs/dbraw/zinc/52/42/10/943524210.db2.gz KCYSBFIJQHKMRT-XCRHUMRWSA-N 2 0 351.332 3.877 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000423468247 943524385 /nfs/dbraw/zinc/52/43/85/943524385.db2.gz JSWFUYGXCDTYHD-QMMLZNLJSA-N 2 0 357.448 3.794 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000423474940 943525598 /nfs/dbraw/zinc/52/55/98/943525598.db2.gz PILKAXCCKMMCOG-MOXGXCLJSA-N 2 0 372.484 3.887 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000423476113 943526508 /nfs/dbraw/zinc/52/65/08/943526508.db2.gz QNGKDPUWMMCFST-DKSSEZFCSA-N 2 0 356.441 3.598 20 0 FHADRP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626281 943527093 /nfs/dbraw/zinc/52/70/93/943527093.db2.gz ODHYPXPGVUYQKC-GOSISDBHSA-N 2 0 367.493 3.881 20 0 FHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1OC ZINC000423506416 943531696 /nfs/dbraw/zinc/53/16/96/943531696.db2.gz IVLRXACISSQFQC-TVPLGVNVSA-N 2 0 365.949 3.606 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423534703 943540627 /nfs/dbraw/zinc/54/06/27/943540627.db2.gz ARAALHMDIXSUMY-INIZCTEOSA-N 2 0 351.288 3.562 20 0 FHADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512146 943542161 /nfs/dbraw/zinc/54/21/61/943542161.db2.gz OFIUNCBABXEZPM-WWDZGPRUSA-N 2 0 355.526 3.862 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423516614 943543447 /nfs/dbraw/zinc/54/34/47/943543447.db2.gz AVULKJJPRQGJSP-BJWHIEROSA-N 2 0 359.602 3.773 20 0 FHADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000423557054 943548184 /nfs/dbraw/zinc/54/81/84/943548184.db2.gz ILBDGOZSLXBFNG-OAQYLSRUSA-N 2 0 355.501 3.860 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423536777 943550631 /nfs/dbraw/zinc/55/06/31/943550631.db2.gz AYPRVNFGNVMPDS-WBOJAVRRSA-N 2 0 365.315 3.641 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000423544159 943553193 /nfs/dbraw/zinc/55/31/93/943553193.db2.gz VXZKGMWZLFYUGT-HSZRJFAPSA-N 2 0 366.505 3.887 20 0 FHADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423552445 943555616 /nfs/dbraw/zinc/55/56/16/943555616.db2.gz UYBMMKIKJDLGAY-OVZMXSCWSA-N 2 0 353.279 3.553 20 0 FHADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1C ZINC000658358515 943557677 /nfs/dbraw/zinc/55/76/77/943557677.db2.gz VKGGQJFWALDOHO-QGZVFWFLSA-N 2 0 357.542 3.732 20 0 FHADRP NC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423569097 943559221 /nfs/dbraw/zinc/55/92/21/943559221.db2.gz MSSLISBBBBWACV-OAQYLSRUSA-N 2 0 369.940 3.910 20 0 FHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423569324 943559477 /nfs/dbraw/zinc/55/94/77/943559477.db2.gz WHLMAQKRYSWXLI-LLVKDONJSA-N 2 0 362.367 3.850 20 0 FHADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578360 943562417 /nfs/dbraw/zinc/56/24/17/943562417.db2.gz UJIITWODHYASRH-HSZRJFAPSA-N 2 0 365.565 3.837 20 0 FHADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000423702851 943595581 /nfs/dbraw/zinc/59/55/81/943595581.db2.gz ZAUUFVHXAWLHRL-NFBKMPQASA-N 2 0 361.489 3.531 20 0 FHADRP FC(F)(F)c1nc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000893306161 943600041 /nfs/dbraw/zinc/60/00/41/943600041.db2.gz YBGKMOLTRCNIEC-UHFFFAOYSA-N 2 0 356.417 3.563 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000423752836 943608884 /nfs/dbraw/zinc/60/88/84/943608884.db2.gz WSVCKSKYIRLOPE-OAHLLOKOSA-N 2 0 359.901 3.564 20 0 FHADRP c1ccc2c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nsc2c1 ZINC000660231190 943668204 /nfs/dbraw/zinc/66/82/04/943668204.db2.gz ABSWRSDYZCPYSQ-UHFFFAOYSA-N 2 0 359.539 3.621 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1cccs1 ZINC000424136677 943748262 /nfs/dbraw/zinc/74/82/62/943748262.db2.gz NYTNWFKZGFLRKE-SJORKVTESA-N 2 0 351.560 3.545 20 0 FHADRP [NH3+][C@H](CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178774 943762334 /nfs/dbraw/zinc/76/23/34/943762334.db2.gz WVISLVKNSCUXSR-QKNQBKEWSA-N 2 0 361.574 3.540 20 0 FHADRP Cc1noc2ncc(C[NH2+]C[C@@H]3CCCN(C)[C@@H]3c3cccs3)cc12 ZINC000894287963 943771854 /nfs/dbraw/zinc/77/18/54/943771854.db2.gz MSQUECVAKRKAKG-YJBOKZPZSA-N 2 0 356.495 3.765 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)CC2CCCC2)CC1 ZINC000516883030 943793095 /nfs/dbraw/zinc/79/30/95/943793095.db2.gz AZCYTTOFQIYNKK-UHFFFAOYSA-N 2 0 371.569 3.716 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256702 943804556 /nfs/dbraw/zinc/80/45/56/943804556.db2.gz NRSYLGNXAWIHGL-IPMKNSEASA-N 2 0 363.590 3.514 20 0 FHADRP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424286594 943819467 /nfs/dbraw/zinc/81/94/67/943819467.db2.gz HJYKSIYQURILLK-HNNXBMFYSA-N 2 0 363.465 3.539 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000925616903 943825280 /nfs/dbraw/zinc/82/52/80/943825280.db2.gz NVHKEUKLCJHIKR-HKJQZYRSSA-N 2 0 360.542 3.807 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)cc1F ZINC000424296815 943826099 /nfs/dbraw/zinc/82/60/99/943826099.db2.gz SIFWKYYAZBWNLS-MRXNPFEDSA-N 2 0 372.488 3.581 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785574 943880947 /nfs/dbraw/zinc/88/09/47/943880947.db2.gz SVGGZFPHGMAOOV-PMACEKPBSA-N 2 0 351.494 3.579 20 0 FHADRP COc1cc([C@@H](C)[NH2+]CCCN2CCN(c3ccccc3)CC2)ccc1F ZINC000504905580 943903203 /nfs/dbraw/zinc/90/32/03/943903203.db2.gz KOJBFAAOEOCQIL-GOSISDBHSA-N 2 0 371.500 3.697 20 0 FHADRP CSc1ccc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000517000258 943915841 /nfs/dbraw/zinc/91/58/41/943915841.db2.gz YKWRVICXBIOIBZ-UHFFFAOYSA-N 2 0 350.553 3.743 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424447122 943919535 /nfs/dbraw/zinc/91/95/35/943919535.db2.gz UEIWTOVXNZWRAH-FQEVSTJZSA-N 2 0 354.498 3.658 20 0 FHADRP CSc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C[NH3+])c2)[NH+](C)C)cc1 ZINC000424425967 943922412 /nfs/dbraw/zinc/92/24/12/943922412.db2.gz KZWXTTJOKBBYRW-IBGZPJMESA-N 2 0 372.538 3.600 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000424435594 943928175 /nfs/dbraw/zinc/92/81/75/943928175.db2.gz LBPLPTRUKBJJNP-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000414790529 943939277 /nfs/dbraw/zinc/93/92/77/943939277.db2.gz ZZIOKPACNPQNKW-HUUCEWRRSA-N 2 0 360.395 3.588 20 0 FHADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000437583258 943945256 /nfs/dbraw/zinc/94/52/56/943945256.db2.gz ONIYMYJONGPLFC-KRWDZBQOSA-N 2 0 356.432 3.791 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414792440 943946667 /nfs/dbraw/zinc/94/66/67/943946667.db2.gz CIEOKAPFJUAZCT-WCQYABFASA-N 2 0 363.246 3.658 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414792442 943947156 /nfs/dbraw/zinc/94/71/56/943947156.db2.gz CIEOKAPFJUAZCT-YPMHNXCESA-N 2 0 363.246 3.658 20 0 FHADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515520643 943975340 /nfs/dbraw/zinc/97/53/40/943975340.db2.gz HGCZTKCGRQJPLQ-RDGPPVDQSA-N 2 0 359.558 3.557 20 0 FHADRP COc1ccc2c(c1)c(CC[NH3+])cn2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960285 944015758 /nfs/dbraw/zinc/01/57/58/944015758.db2.gz XLCNAZOAWYXYMQ-DFNIBXOVSA-N 2 0 353.510 3.729 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000417973408 944027656 /nfs/dbraw/zinc/02/76/56/944027656.db2.gz CKXMJXQAGWVKQA-RJGXRXQPSA-N 2 0 350.506 3.537 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500059458 944032009 /nfs/dbraw/zinc/03/20/09/944032009.db2.gz MASHWEUOSHPDKV-GMAHTHKFSA-N 2 0 371.569 3.668 20 0 FHADRP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000893329597 944057250 /nfs/dbraw/zinc/05/72/50/944057250.db2.gz FLVAHAMTOGGITB-UHFFFAOYSA-N 2 0 366.431 3.518 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000414809083 944077695 /nfs/dbraw/zinc/07/76/95/944077695.db2.gz TXQJSRUPXFDJJX-NQIIRXRSSA-N 2 0 367.493 3.555 20 0 FHADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000162562200 944100902 /nfs/dbraw/zinc/10/09/02/944100902.db2.gz UJPAAIHGTUFDCM-NRFANRHFSA-N 2 0 354.494 3.803 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515756404 944184815 /nfs/dbraw/zinc/18/48/15/944184815.db2.gz BTIVLBJNHGLOOT-MSOLQXFVSA-N 2 0 359.558 3.844 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(SC)cc2)[C@@H](C)C1 ZINC000436302537 944186240 /nfs/dbraw/zinc/18/62/40/944186240.db2.gz AYONEOMBDLSUHB-FXAWDEMLSA-N 2 0 350.572 3.678 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000517330442 944225077 /nfs/dbraw/zinc/22/50/77/944225077.db2.gz AKJXEHURMHNOLX-IPYPFGDCSA-N 2 0 357.420 3.530 20 0 FHADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000436415490 944287725 /nfs/dbraw/zinc/28/77/25/944287725.db2.gz RSZNCZJJTJCLRC-SFHVURJKSA-N 2 0 367.493 3.691 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000473736578 944313187 /nfs/dbraw/zinc/31/31/87/944313187.db2.gz BEZSNWOCRXWPNS-GHTZIAJQSA-N 2 0 374.573 3.591 20 0 FHADRP Cc1cc(N2CCC([N@@H+](C)C[C@H](C)O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000436442821 944318069 /nfs/dbraw/zinc/31/80/69/944318069.db2.gz QYNZRBHKFFKVCJ-HNNXBMFYSA-N 2 0 361.917 3.786 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C)CC[C@H]2C)c1 ZINC000473731185 944318035 /nfs/dbraw/zinc/31/80/35/944318035.db2.gz DRUZWDCYZCKYMZ-LJQANCHMSA-N 2 0 374.573 3.544 20 0 FHADRP CCC1(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000500249071 944330841 /nfs/dbraw/zinc/33/08/41/944330841.db2.gz IYULTUGJEMPTLX-TZIWHRDSSA-N 2 0 355.570 3.894 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438094168 944331715 /nfs/dbraw/zinc/33/17/15/944331715.db2.gz JUTLZBDHTRVMKM-RPWUZVMVSA-N 2 0 369.597 3.987 20 0 FHADRP Fc1cc(Br)cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000436469066 944349890 /nfs/dbraw/zinc/34/98/90/944349890.db2.gz VFDYHHSANRXDJH-UHFFFAOYSA-N 2 0 364.262 3.742 20 0 FHADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000550180374 944359602 /nfs/dbraw/zinc/35/96/02/944359602.db2.gz BLGIUZJJAAEXQT-LAUBAEHRSA-N 2 0 362.477 3.632 20 0 FHADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)C[NH+](C)C ZINC000425951330 944362628 /nfs/dbraw/zinc/36/26/28/944362628.db2.gz MMFVNYMAGLXDJZ-ROUUACIJSA-N 2 0 366.509 3.762 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cccc(F)c3)CC2)c1 ZINC000517540728 944371278 /nfs/dbraw/zinc/37/12/78/944371278.db2.gz JUGKPJGOLKVAER-UHFFFAOYSA-N 2 0 355.501 3.826 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000414992302 944490901 /nfs/dbraw/zinc/49/09/01/944490901.db2.gz BOXCBEGEBCVTTM-QGTPRVQTSA-N 2 0 352.906 3.505 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000516111881 944511598 /nfs/dbraw/zinc/51/15/98/944511598.db2.gz JOSUUEYDXCOKDS-UHFFFAOYSA-N 2 0 352.906 3.665 20 0 FHADRP c1ccc(C[NH+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167964334 944532964 /nfs/dbraw/zinc/53/29/64/944532964.db2.gz PDEBARQQISFYBR-GTCWDNOESA-N 2 0 353.554 3.504 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219329 944582356 /nfs/dbraw/zinc/58/23/56/944582356.db2.gz ZZQGZPNPUOSFCE-VJBMBRPKSA-N 2 0 374.569 3.591 20 0 FHADRP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000550262671 944621415 /nfs/dbraw/zinc/62/14/15/944621415.db2.gz NKEYBQBXJDSZDL-FQEVSTJZSA-N 2 0 356.535 3.767 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414999934 944667047 /nfs/dbraw/zinc/66/70/47/944667047.db2.gz JPFMSBNBBOESFH-FUHWJXTLSA-N 2 0 360.933 3.809 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000418475339 944674443 /nfs/dbraw/zinc/67/44/43/944674443.db2.gz ZBNNQTWYIBVKHH-HBFSDRIKSA-N 2 0 372.557 3.502 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415000656 944744722 /nfs/dbraw/zinc/74/47/22/944744722.db2.gz KJNPWUVUIGWMPC-APWZRJJASA-N 2 0 354.494 3.978 20 0 FHADRP CC[N@@H+]1CCC[C@@H](CN(C)c2cc[nH+]c3ccccc32)[C@@H]1c1cnn(C)c1 ZINC000509610277 944756837 /nfs/dbraw/zinc/75/68/37/944756837.db2.gz VBIZIWQRBIIPDU-HTAPYJJXSA-N 2 0 363.509 3.878 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001578 944760581 /nfs/dbraw/zinc/76/05/81/944760581.db2.gz COKRCIALRDZQKT-PZJWPPBQSA-N 2 0 372.944 3.679 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000517865817 944762885 /nfs/dbraw/zinc/76/28/85/944762885.db2.gz POBQSHYWWVPUDX-PZJWPPBQSA-N 2 0 359.558 3.698 20 0 FHADRP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OCC(F)(F)F ZINC000506930492 944769114 /nfs/dbraw/zinc/76/91/14/944769114.db2.gz OUPMHKNTIRWPNE-UHFFFAOYSA-N 2 0 374.447 3.800 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000438573124 944790791 /nfs/dbraw/zinc/79/07/91/944790791.db2.gz WWMIWNDBRJPKEH-UHFFFAOYSA-N 2 0 365.521 3.641 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000518802096 944797294 /nfs/dbraw/zinc/79/72/94/944797294.db2.gz NOZFVDBDDKONDB-NRFANRHFSA-N 2 0 369.509 3.649 20 0 FHADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1-c1ccccc1 ZINC000517936927 944849862 /nfs/dbraw/zinc/84/98/62/944849862.db2.gz CKCZRCNZYVAUFY-FQEVSTJZSA-N 2 0 363.505 3.614 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000511695077 944909771 /nfs/dbraw/zinc/90/97/71/944909771.db2.gz GKKCTABHRKVBJB-MOPGFXCFSA-N 2 0 359.558 3.769 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000511698205 944912879 /nfs/dbraw/zinc/91/28/79/944912879.db2.gz YDMKWDPKSKAZFQ-MSOLQXFVSA-N 2 0 357.542 3.521 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414941962 944938402 /nfs/dbraw/zinc/93/84/02/944938402.db2.gz DCMYSRLLJIMLQE-QFBILLFUSA-N 2 0 366.534 3.890 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518055836 944975980 /nfs/dbraw/zinc/97/59/80/944975980.db2.gz SBYWWGIPTYWYIR-WOJBJXKFSA-N 2 0 371.569 3.770 20 0 FHADRP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000511729896 944976104 /nfs/dbraw/zinc/97/61/04/944976104.db2.gz LPXLLZDUBQFPFF-UHFFFAOYSA-N 2 0 357.542 3.667 20 0 FHADRP Clc1ccc(SCC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000660466686 944981850 /nfs/dbraw/zinc/98/18/50/944981850.db2.gz BABFQPGUZKFEGG-QGZVFWFLSA-N 2 0 354.947 3.619 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C(C)C)[C@H](C)C1 ZINC000437089047 945007886 /nfs/dbraw/zinc/00/78/86/945007886.db2.gz ABJAAKYNYWBMKT-TZIWHRDSSA-N 2 0 361.574 3.758 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000415005129 945027107 /nfs/dbraw/zinc/02/71/07/945027107.db2.gz YZGGODBRYHQIRS-VUFQOXLZSA-N 2 0 365.924 3.549 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427053850 945036124 /nfs/dbraw/zinc/03/61/24/945036124.db2.gz VCRLPLYQHGWINZ-OAQYLSRUSA-N 2 0 371.569 3.770 20 0 FHADRP CC(C)c1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000507720501 945475186 /nfs/dbraw/zinc/47/51/86/945475186.db2.gz ONUKXXQRFBAAGZ-UHFFFAOYSA-N 2 0 351.560 3.591 20 0 FHADRP CCN(C(=O)NCCC[NH+](CC)CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473879496 945572574 /nfs/dbraw/zinc/57/25/74/945572574.db2.gz URBJOUYRIGDGGV-CTNGQTDRSA-N 2 0 374.573 3.585 20 0 FHADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CCOCC1 ZINC000187780891 945597191 /nfs/dbraw/zinc/59/71/91/945597191.db2.gz FKXOGQPQGMPGHZ-YDHSSHFGSA-N 2 0 374.569 3.696 20 0 FHADRP CCCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000519639100 945611923 /nfs/dbraw/zinc/61/19/23/945611923.db2.gz LNONCROYEABTTD-UHFFFAOYSA-N 2 0 371.447 3.888 20 0 FHADRP Cc1noc2ncc(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894422992 945621182 /nfs/dbraw/zinc/62/11/82/945621182.db2.gz NOHASCAZABYDRR-HNAYVOBHSA-N 2 0 350.466 3.531 20 0 FHADRP Cc1noc2ncc(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894422990 945621395 /nfs/dbraw/zinc/62/13/95/945621395.db2.gz NOHASCAZABYDRR-BEFAXECRSA-N 2 0 350.466 3.531 20 0 FHADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000281513447 945673464 /nfs/dbraw/zinc/67/34/64/945673464.db2.gz XNXPVGLARHJFDA-QZTJIDSGSA-N 2 0 370.541 3.671 20 0 FHADRP [NH3+]C1(CNCc2c(F)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415139387 945690756 /nfs/dbraw/zinc/69/07/56/945690756.db2.gz WTRFTYOSMCRSKZ-UHFFFAOYSA-N 2 0 361.892 3.562 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000522735780 945731484 /nfs/dbraw/zinc/73/14/84/945731484.db2.gz PTSHFJNCWYAXGN-GOSISDBHSA-N 2 0 361.505 3.598 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000519793444 945747018 /nfs/dbraw/zinc/74/70/18/945747018.db2.gz QOAVFCBXNLJOIC-OAHLLOKOSA-N 2 0 360.448 3.739 20 0 FHADRP CCc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[NH+](C)C)cc1 ZINC000110919225 945783909 /nfs/dbraw/zinc/78/39/09/945783909.db2.gz XIPNFUACOXBLHG-FCHUYYIVSA-N 2 0 367.537 3.661 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836152 945798323 /nfs/dbraw/zinc/79/83/23/945798323.db2.gz BYBXPMCYHCWSEH-SJORKVTESA-N 2 0 367.965 3.804 20 0 FHADRP CCC[C@](C)([NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757896 945892500 /nfs/dbraw/zinc/89/25/00/945892500.db2.gz MJMYVUAQJIZENZ-REWPJTCUSA-N 2 0 371.569 3.653 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415910166 945900564 /nfs/dbraw/zinc/90/05/64/945900564.db2.gz HLHFYWZTMHJQMD-UHFFFAOYSA-N 2 0 354.498 3.522 20 0 FHADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522853239 945999791 /nfs/dbraw/zinc/99/97/91/945999791.db2.gz ZWQPANAWQRFXSZ-UHFFFAOYSA-N 2 0 368.525 3.687 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000508480083 946043458 /nfs/dbraw/zinc/04/34/58/946043458.db2.gz ZAVHEVRTEHPSAN-NRFANRHFSA-N 2 0 374.573 3.631 20 0 FHADRP CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043490 946069779 /nfs/dbraw/zinc/06/97/79/946069779.db2.gz JNKRWSWBNMDAAU-OAHLLOKOSA-N 2 0 367.484 3.736 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000103174140 946229856 /nfs/dbraw/zinc/22/98/56/946229856.db2.gz WTIVINZJADGCJQ-QGZVFWFLSA-N 2 0 368.525 3.999 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000302644574 946269220 /nfs/dbraw/zinc/26/92/20/946269220.db2.gz IYZPRYGUGKZOPG-QGZVFWFLSA-N 2 0 354.542 3.791 20 0 FHADRP C[C@@H]1C[C@@H](N2CCC([NH+](C)C3CC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056199 946352540 /nfs/dbraw/zinc/35/25/40/946352540.db2.gz DAQOYHMBUHDLKH-BBIADKPPSA-N 2 0 355.570 3.987 20 0 FHADRP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000302868382 946359509 /nfs/dbraw/zinc/35/95/09/946359509.db2.gz WWIHWANZZIOMCT-OKILXGFUSA-N 2 0 360.299 3.612 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652149124 946386690 /nfs/dbraw/zinc/38/66/90/946386690.db2.gz SMHZMVVNQFSJOJ-JOCHJYFZSA-N 2 0 353.510 3.891 20 0 FHADRP CC(C)C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000475129139 946434468 /nfs/dbraw/zinc/43/44/68/946434468.db2.gz LMULYIZOWSVLGC-RTBURBONSA-N 2 0 373.566 3.844 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)ccn1 ZINC000652172175 946437400 /nfs/dbraw/zinc/43/74/00/946437400.db2.gz NOXLZZDHNIJIHK-JOCHJYFZSA-N 2 0 368.525 3.828 20 0 FHADRP CC(C)Sc1cccc(Cl)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441376514 946529642 /nfs/dbraw/zinc/52/96/42/946529642.db2.gz ASUSTPRLYRTTTJ-UHFFFAOYSA-N 2 0 370.006 3.956 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652278388 946571980 /nfs/dbraw/zinc/57/19/80/946571980.db2.gz MVXUABGJNHHLTH-ZNLUXHQJSA-N 2 0 369.509 3.593 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)CC1 ZINC000192683139 946608009 /nfs/dbraw/zinc/60/80/09/946608009.db2.gz GPHDVIAXJQNKNP-OAQYLSRUSA-N 2 0 353.510 3.584 20 0 FHADRP CCN(C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc2ccccc21 ZINC000647971268 946612885 /nfs/dbraw/zinc/61/28/85/946612885.db2.gz GZZAGCLAZDVPHP-FQEVSTJZSA-N 2 0 365.521 3.514 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+][C@@H](CO)CCF)c2ccc(F)cc2)CC1 ZINC000652301933 946651118 /nfs/dbraw/zinc/65/11/18/946651118.db2.gz KPWWWSDPISZOAB-WOJBJXKFSA-N 2 0 354.485 3.689 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561371 946661657 /nfs/dbraw/zinc/66/16/57/946661657.db2.gz YFBQAYNGVXRIDZ-LZVFHYKOSA-N 3 0 367.581 3.894 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000192831529 946700001 /nfs/dbraw/zinc/70/00/01/946700001.db2.gz PPCAQZYFTUPYMR-HNAYVOBHSA-N 2 0 357.473 3.899 20 0 FHADRP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059893 946742683 /nfs/dbraw/zinc/74/26/83/946742683.db2.gz HKPMYTMAYHXNSY-CGBFIWBNSA-N 2 0 358.526 3.559 20 0 FHADRP C[C@H]1CC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655720129 946765770 /nfs/dbraw/zinc/76/57/70/946765770.db2.gz ZWEDZJAXPVMUQT-AZUAARDMSA-N 2 0 362.583 3.931 20 0 FHADRP C[C@@H]1CC([N@@H+]2CC[C@H](Oc3ccccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168060276 946780282 /nfs/dbraw/zinc/78/02/82/946780282.db2.gz WGHITPSXNXLXIN-KNKQGSTJSA-N 2 0 365.521 3.976 20 0 FHADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000119452405 946784372 /nfs/dbraw/zinc/78/43/72/946784372.db2.gz VKGNVOPPYJPKJJ-JOCHJYFZSA-N 2 0 365.521 3.625 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345616 946871734 /nfs/dbraw/zinc/87/17/34/946871734.db2.gz GUPZGUSDWGSSPU-CNNODRBYSA-N 2 0 360.542 3.716 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000652346076 946872305 /nfs/dbraw/zinc/87/23/05/946872305.db2.gz SUXGUVDNEICHSH-QKNQBKEWSA-N 2 0 358.526 3.533 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347998 946879587 /nfs/dbraw/zinc/87/95/87/946879587.db2.gz RHSXPCRUXWNICY-GRZALLJUSA-N 2 0 354.441 3.567 20 0 FHADRP CC(C)c1noc([C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994728 946889131 /nfs/dbraw/zinc/88/91/31/946889131.db2.gz MHOIGGZZKYYSKN-KAKFPZCNSA-N 2 0 358.530 3.778 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976666 946889288 /nfs/dbraw/zinc/88/92/88/946889288.db2.gz RSYIAQXLNIDVMJ-BBWFWOEESA-N 2 0 363.933 3.687 20 0 FHADRP c1ccc2c(c1)CCOC21CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995100 946892754 /nfs/dbraw/zinc/89/27/54/946892754.db2.gz WBTXXFIPXLFVKV-CBQGHPETSA-N 2 0 366.549 3.956 20 0 FHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350449 946894753 /nfs/dbraw/zinc/89/47/53/946894753.db2.gz ZKZKKCSTUSRRJX-SIUPPRGNSA-N 2 0 367.331 3.728 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000523130822 946895385 /nfs/dbraw/zinc/89/53/85/946895385.db2.gz SNWARKAAIORFJG-UHFFFAOYSA-N 2 0 374.573 3.591 20 0 FHADRP [NH3+]CCC1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000652359565 946921044 /nfs/dbraw/zinc/92/10/44/946921044.db2.gz BQFXQOBKICTOTR-UHFFFAOYSA-N 2 0 364.287 3.665 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCOc2cccc3ccccc32)C1 ZINC000652362408 946930612 /nfs/dbraw/zinc/93/06/12/946930612.db2.gz GNBQKJOHCIGWBB-LSWJPFSZSA-N 2 0 368.521 3.970 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2Oc2cccnc2)C1 ZINC000652362567 946930850 /nfs/dbraw/zinc/93/08/50/946930850.db2.gz JVNPXQOVCXFEJC-CBQOVEMMSA-N 2 0 367.493 3.735 20 0 FHADRP c1ccc(-n2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000647978554 946975171 /nfs/dbraw/zinc/97/51/71/946975171.db2.gz USGCOUQEAXKEGY-RBUKOAKNSA-N 2 0 364.537 3.573 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511921975 947006657 /nfs/dbraw/zinc/00/66/57/947006657.db2.gz JDJQBBFLGWAACR-MNKBLEIRSA-N 2 0 372.459 3.725 20 0 FHADRP CN(CC[N@H+](C)Cc1ccc(-c2cccs2)cc1)C1CC[NH+](C)CC1 ZINC000444664248 947091562 /nfs/dbraw/zinc/09/15/62/947091562.db2.gz QLYFLFRLQIARPN-UHFFFAOYSA-N 2 0 357.567 3.873 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444669986 947093690 /nfs/dbraw/zinc/09/36/90/947093690.db2.gz HRAPHVAVLGHTMS-RXVVDRJESA-N 2 0 369.578 3.873 20 0 FHADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC(C)(C)c4ccccc43)cn2)CC1 ZINC000550402588 947256803 /nfs/dbraw/zinc/25/68/03/947256803.db2.gz YMAUAYQUGBBLLN-OAQYLSRUSA-N 2 0 364.537 3.736 20 0 FHADRP c1ccc(CCOC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000662252380 947674527 /nfs/dbraw/zinc/67/45/27/947674527.db2.gz KMNIZWKTOFHGRO-UHFFFAOYSA-N 2 0 350.506 3.556 20 0 FHADRP COc1cc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)c(SC)cc1OC ZINC000662257156 947679528 /nfs/dbraw/zinc/67/95/28/947679528.db2.gz QIMIHWRRIAAWOY-UHFFFAOYSA-N 2 0 372.534 3.703 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662265066 947684377 /nfs/dbraw/zinc/68/43/77/947684377.db2.gz WATJTVDBSVTNQF-AEFFLSMTSA-N 2 0 371.550 3.941 20 0 FHADRP C[NH+](CC1=CCSC1)Cc1cccc(C[N@H+](C)CC2=CCSC2)c1 ZINC000662263324 947684440 /nfs/dbraw/zinc/68/44/40/947684440.db2.gz JPIYVUPZMJVFCJ-UHFFFAOYSA-N 2 0 360.592 3.897 20 0 FHADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc5c4CC[NH2+]C5)C3)nc2c1 ZINC000662275876 947699767 /nfs/dbraw/zinc/69/97/67/947699767.db2.gz BUBSDMWHFOHQAJ-LJQANCHMSA-N 2 0 360.505 3.897 20 0 FHADRP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295221 947716648 /nfs/dbraw/zinc/71/66/48/947716648.db2.gz GCMOZBQEYRORSF-FUHWJXTLSA-N 2 0 354.498 3.818 20 0 FHADRP O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1Cl ZINC000662294790 947717481 /nfs/dbraw/zinc/71/74/81/947717481.db2.gz NJRYJMDHJNACCM-AWEZNQCLSA-N 2 0 370.324 3.644 20 0 FHADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)co2)cc1F ZINC000662295228 947718109 /nfs/dbraw/zinc/71/81/09/947718109.db2.gz UKJCKSCBHYKVSW-MRXNPFEDSA-N 2 0 361.436 3.831 20 0 FHADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662298005 947719674 /nfs/dbraw/zinc/71/96/74/947719674.db2.gz SYCYDDDFPCSXEW-SFHVURJKSA-N 2 0 355.482 3.562 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297272 947723831 /nfs/dbraw/zinc/72/38/31/947723831.db2.gz OXZVURNODCHIOC-LAUBAEHRSA-N 2 0 371.569 3.850 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306301 947732962 /nfs/dbraw/zinc/73/29/62/947732962.db2.gz QDTNRGDHTKDJIJ-YLJYHZDGSA-N 2 0 358.457 3.722 20 0 FHADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1CCC[NH3+] ZINC000662313692 947746504 /nfs/dbraw/zinc/74/65/04/947746504.db2.gz WLRPLWIMIVUDCL-MLGOLLRUSA-N 2 0 358.313 3.771 20 0 FHADRP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c(C)c1 ZINC000662327139 947752179 /nfs/dbraw/zinc/75/21/79/947752179.db2.gz KNISFIBWOWHLCE-UHFFFAOYSA-N 2 0 352.526 3.873 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H](NC[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807685 /nfs/dbraw/zinc/80/76/85/947807685.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 2 0 367.581 3.895 20 0 FHADRP c1ccc(COc2cccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c2)nc1 ZINC000663347764 947819874 /nfs/dbraw/zinc/81/98/74/947819874.db2.gz UTYHGCICXQWRIW-NRFANRHFSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC(F)F ZINC000663347650 947820818 /nfs/dbraw/zinc/82/08/18/947820818.db2.gz RIQCXGCDPQWEBL-INIZCTEOSA-N 2 0 354.441 3.508 20 0 FHADRP C[C@@H]([NH3+])c1nc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cs1 ZINC000900000253 947999897 /nfs/dbraw/zinc/99/98/97/947999897.db2.gz ZGWNRJDCDSSGIB-CYBMUJFWSA-N 2 0 369.494 3.866 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC[NH+](CC4CC4)C2)C3)cc1 ZINC000663466597 948058477 /nfs/dbraw/zinc/05/84/77/948058477.db2.gz VXYKBFLVVRGSQU-YCAMKHIRSA-N 2 0 367.581 3.894 20 0 FHADRP c1ccc(-c2nnc(CC[NH2+]C3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000090659681 948081256 /nfs/dbraw/zinc/08/12/56/948081256.db2.gz JNXQLMHNEOYRCY-UHFFFAOYSA-N 2 0 354.498 3.666 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824230 948104374 /nfs/dbraw/zinc/10/43/74/948104374.db2.gz CTOKMZMXKSOMHN-ZWKOTPCHSA-N 2 0 355.567 3.734 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001167824269 948106815 /nfs/dbraw/zinc/10/68/15/948106815.db2.gz GKDCVOFVVWGKDM-OTWHNJEPSA-N 2 0 364.603 3.550 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167824222 948108283 /nfs/dbraw/zinc/10/82/83/948108283.db2.gz CTOKMZMXKSOMHN-MSOLQXFVSA-N 2 0 355.567 3.734 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000663505286 948121634 /nfs/dbraw/zinc/12/16/34/948121634.db2.gz GVGLOIPORLETPT-QZTJIDSGSA-N 2 0 351.579 3.562 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001167826306 948129951 /nfs/dbraw/zinc/12/99/51/948129951.db2.gz OTYVIYIOMDZFED-OAQYLSRUSA-N 3 0 372.601 3.880 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001167833370 948221791 /nfs/dbraw/zinc/22/17/91/948221791.db2.gz AKZXWTWWXJFQTN-INIZCTEOSA-N 2 0 352.519 3.655 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001167833406 948223554 /nfs/dbraw/zinc/22/35/54/948223554.db2.gz AWRQXPLEOAFPAT-OKYOBFRVSA-N 2 0 367.578 3.732 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167833866 948238020 /nfs/dbraw/zinc/23/80/20/948238020.db2.gz FHEKKPMKWRUSMK-BZSNNMDCSA-N 2 0 355.567 3.827 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624316 948261022 /nfs/dbraw/zinc/26/10/22/948261022.db2.gz IBELXZBXYGTZET-IMNFJDCFSA-N 2 0 364.533 3.925 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834921 948275080 /nfs/dbraw/zinc/27/50/80/948275080.db2.gz NWGNWJHBGRIDRQ-FXAWDEMLSA-N 2 0 355.567 3.734 20 0 FHADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003653 948296170 /nfs/dbraw/zinc/29/61/70/948296170.db2.gz PWMCBPDPXCGKIM-CBQGHPETSA-N 2 0 350.510 3.710 20 0 FHADRP C[N@H+](CCCCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003513 948300221 /nfs/dbraw/zinc/30/02/21/948300221.db2.gz OFDWXLMBTDLREM-DFNIBXOVSA-N 2 0 365.562 3.629 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001167836210 948308817 /nfs/dbraw/zinc/30/88/17/948308817.db2.gz XMRBDDJOPOTHTG-SQNIBIBYSA-N 2 0 353.551 3.581 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001167838091 948312414 /nfs/dbraw/zinc/31/24/14/948312414.db2.gz PSQQZPNQUOIXKP-ROUUACIJSA-N 2 0 355.567 3.876 20 0 FHADRP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624934 948324690 /nfs/dbraw/zinc/32/46/90/948324690.db2.gz LFVHMBCPHVEZSX-DLTYFMDKSA-N 2 0 363.549 3.757 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001167840410 948336611 /nfs/dbraw/zinc/33/66/11/948336611.db2.gz GGMGZINNHDLRPV-SQNIBIBYSA-N 2 0 355.567 3.732 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC000512071581 948357013 /nfs/dbraw/zinc/35/70/13/948357013.db2.gz KVOZGJRIMBYNID-ARJAWSKDSA-N 2 0 360.448 3.751 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001167841804 948368464 /nfs/dbraw/zinc/36/84/64/948368464.db2.gz RIFSFMSSOUTIPQ-LJQANCHMSA-N 2 0 351.579 3.612 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842955 948398855 /nfs/dbraw/zinc/39/88/55/948398855.db2.gz ZYLMYIQSVYXGNB-ROUUACIJSA-N 2 0 355.567 3.686 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000473212613 948403375 /nfs/dbraw/zinc/40/33/75/948403375.db2.gz HSQHWSKFDMWLTP-QUCCMNQESA-N 2 0 351.579 3.656 20 0 FHADRP COC(=O)[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1c1ccccc1 ZINC001168005135 948462111 /nfs/dbraw/zinc/46/21/11/948462111.db2.gz GOCWJMTYSGLSOF-OACCOTFLSA-N 2 0 368.521 3.628 20 0 FHADRP CN1CC[NH+](CC2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000520660180 948533351 /nfs/dbraw/zinc/53/33/51/948533351.db2.gz IFICXMPXBDBSHX-UHFFFAOYSA-N 2 0 369.597 3.920 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152416089 948594426 /nfs/dbraw/zinc/59/44/26/948594426.db2.gz UOEGFPDYAOISAI-CXAGYDPISA-N 2 0 365.315 3.737 20 0 FHADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000895110549 948637299 /nfs/dbraw/zinc/63/72/99/948637299.db2.gz OYJZQHPUGUEJNO-WKILWMFISA-N 2 0 370.463 3.575 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507806564 948694667 /nfs/dbraw/zinc/69/46/67/948694667.db2.gz CDQYKSZGIJZZLC-FQEVSTJZSA-N 2 0 360.448 3.725 20 0 FHADRP C[C@@H]1CC([NH2+]CCc2ccc3c(c2)OCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008162 948737617 /nfs/dbraw/zinc/73/76/17/948737617.db2.gz WEDHYPRGCZKPIT-QZTJIDSGSA-N 2 0 366.505 3.989 20 0 FHADRP CCCCn1nc(C)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000067452836 948790046 /nfs/dbraw/zinc/79/00/46/948790046.db2.gz ZKDUGIIZZOCUSU-IYBDPMFKSA-N 2 0 370.969 3.624 20 0 FHADRP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000602277235 567962552 /nfs/dbraw/zinc/96/25/52/567962552.db2.gz FZKZBOMIXOQEMM-IBGZPJMESA-N 2 0 353.510 3.513 20 0 FHADRP C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602672358 568008212 /nfs/dbraw/zinc/00/82/12/568008212.db2.gz XJKSICZFRAZLHO-GSPPDTAYSA-N 2 0 368.546 3.882 20 0 FHADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000521426925 568009882 /nfs/dbraw/zinc/00/98/82/568009882.db2.gz UPMYQXMLHBNRSU-OTYNDTSQSA-N 2 0 374.569 3.637 20 0 FHADRP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1)C1CCCCC1 ZINC000521428629 568020483 /nfs/dbraw/zinc/02/04/83/568020483.db2.gz LNEHUDUSZWPNHH-SFHVURJKSA-N 2 0 351.579 3.610 20 0 FHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000186981844 568035238 /nfs/dbraw/zinc/03/52/38/568035238.db2.gz DYZYPOJUFNYKTP-WOJBJXKFSA-N 2 0 361.599 3.702 20 0 FHADRP c1ccc(C[N@@H+]2CC[C@H](NC3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119698 568224499 /nfs/dbraw/zinc/22/44/99/568224499.db2.gz FTCVNNIFPRYKFP-HWELCPFYSA-N 2 0 353.554 3.790 20 0 FHADRP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000563134470 568266564 /nfs/dbraw/zinc/26/65/64/568266564.db2.gz CTAINVXFDFLGMB-SFTDATJTSA-N 2 0 361.599 3.648 20 0 FHADRP Cc1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c2ccccc2n1 ZINC000365439744 568674317 /nfs/dbraw/zinc/67/43/17/568674317.db2.gz XRNLCPXBMRUODT-UHFFFAOYSA-N 2 0 353.510 3.618 20 0 FHADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584708 609141215 /nfs/dbraw/zinc/14/12/15/609141215.db2.gz FIOQMUIAZFRAES-INIZCTEOSA-N 2 0 374.508 3.703 20 0 FHADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1 ZINC001164417973 718893248 /nfs/dbraw/zinc/89/32/48/718893248.db2.gz MACMJXJFRSENDU-SFTDATJTSA-N 2 0 356.558 3.987 20 0 FHADRP Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165026841 721808821 /nfs/dbraw/zinc/80/88/21/721808821.db2.gz RQZOYQCMMCIORR-JBACZVJFSA-N 2 0 350.510 3.830 20 0 FHADRP CCOc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026119 721811187 /nfs/dbraw/zinc/81/11/87/721811187.db2.gz PGAAMVMZFWNBRV-IOMROCGXSA-N 2 0 366.509 3.612 20 0 FHADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001165025642 721826307 /nfs/dbraw/zinc/82/63/07/721826307.db2.gz NFDBMBIJAGCCTF-CEWLAPEOSA-N 2 0 350.510 3.830 20 0 FHADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1C ZINC001165025645 721826373 /nfs/dbraw/zinc/82/63/73/721826373.db2.gz NFDBMBIJAGCCTF-SESVDKBCSA-N 2 0 350.510 3.830 20 0 FHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C)c(C)[nH+]4)CC3)C2)cc1 ZINC001164940901 721924270 /nfs/dbraw/zinc/92/42/70/721924270.db2.gz WATVGKGWEHVWEL-UHFFFAOYSA-N 2 0 365.521 3.878 20 0 FHADRP [NH3+]CCCCCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000237983454 936370382 /nfs/dbraw/zinc/37/03/82/936370382.db2.gz QJKMZGSIDMLEQM-UHFFFAOYSA-N 2 0 365.949 3.577 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)cc1OC ZINC000583033435 936385246 /nfs/dbraw/zinc/38/52/46/936385246.db2.gz CXHPKKCAUUDKRW-UFYCRDLUSA-N 2 0 354.494 3.847 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CN1Cc1ccccc1 ZINC000583051162 937080358 /nfs/dbraw/zinc/08/03/58/937080358.db2.gz CIRAEOPLXKDZIB-AUSIDOKSSA-N 2 0 360.505 3.684 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000510055280 927493421 /nfs/dbraw/zinc/49/34/21/927493421.db2.gz LKSUWXHLIKFPJU-KRWDZBQOSA-N 2 0 366.937 3.528 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2ccnc2)cc1 ZINC000162575058 937183191 /nfs/dbraw/zinc/18/31/91/937183191.db2.gz KJEXRTGTWDMPSL-GOSISDBHSA-N 2 0 364.493 3.664 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000078926755 927764278 /nfs/dbraw/zinc/76/42/78/927764278.db2.gz TVAZMKKNJLYGLG-UHFFFAOYSA-N 2 0 359.489 3.593 20 0 FHADRP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000583218323 937246299 /nfs/dbraw/zinc/24/62/99/937246299.db2.gz UXQPPQOINOJHIK-GBESFXJTSA-N 2 0 373.447 3.683 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000157701102 928517425 /nfs/dbraw/zinc/51/74/25/928517425.db2.gz KKEJNLRSZMETEO-RTBURBONSA-N 2 0 363.977 3.763 20 0 FHADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139966897 928649654 /nfs/dbraw/zinc/64/96/54/928649654.db2.gz IWLJGNLALVIELC-UHFFFAOYSA-N 2 0 350.304 3.704 20 0 FHADRP C[C@H]([NH2+]CCCc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000126436266 937272291 /nfs/dbraw/zinc/27/22/91/937272291.db2.gz UORBWKADWMJQAX-ZDUSSCGKSA-N 2 0 357.311 3.841 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154477756 928859412 /nfs/dbraw/zinc/85/94/12/928859412.db2.gz JYENRDZTQAGRQZ-MRXNPFEDSA-N 2 0 353.551 3.616 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547732293 929062089 /nfs/dbraw/zinc/06/20/89/929062089.db2.gz UVCHTXCCOIOFOV-UHFFFAOYSA-N 2 0 371.569 3.730 20 0 FHADRP C[N@H+](CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000547737951 929150064 /nfs/dbraw/zinc/15/00/64/929150064.db2.gz HNNIDPCMKHZKMG-UHFFFAOYSA-N 2 0 363.590 3.756 20 0 FHADRP C[N@H+](CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000547751812 929319986 /nfs/dbraw/zinc/31/99/86/929319986.db2.gz KMFOIFRDRIYIAT-UHFFFAOYSA-N 2 0 365.521 3.534 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180118925 929380165 /nfs/dbraw/zinc/38/01/65/929380165.db2.gz WHDWETHRCDWOEB-KRWDZBQOSA-N 2 0 373.491 3.670 20 0 FHADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070170471 929649791 /nfs/dbraw/zinc/64/97/91/929649791.db2.gz JCGMNEAGNYQWQZ-GFCCVEGCSA-N 2 0 361.711 3.542 20 0 FHADRP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312572964 929694872 /nfs/dbraw/zinc/69/48/72/929694872.db2.gz VCTMBSVMMXPHIK-XLIONFOSSA-N 2 0 361.489 3.941 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000275653886 929726727 /nfs/dbraw/zinc/72/67/27/929726727.db2.gz NDBPXJSXUSTSMZ-NRFANRHFSA-N 2 0 365.521 3.641 20 0 FHADRP CCc1csc(CC2CC[NH+](C[C@H](C[NH3+])c3ccc(OC)cc3)CC2)n1 ZINC000655945708 929772390 /nfs/dbraw/zinc/77/23/90/929772390.db2.gz FMZBPBZFZYEFBB-SFHVURJKSA-N 2 0 373.566 3.711 20 0 FHADRP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC[NH+]1CCCCC1 ZINC001167329234 929903875 /nfs/dbraw/zinc/90/38/75/929903875.db2.gz AFHZNIGHRPDJJC-UHFFFAOYSA-N 2 0 358.505 3.956 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000160354534 930197132 /nfs/dbraw/zinc/19/71/32/930197132.db2.gz ACWUADZIFAIWRK-QGZVFWFLSA-N 2 0 372.944 3.723 20 0 FHADRP Cc1ccccc1[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000160363411 930225635 /nfs/dbraw/zinc/22/56/35/930225635.db2.gz BUHYMBLJAGAIFZ-QHCPKHFHSA-N 2 0 352.522 3.872 20 0 FHADRP C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000255107581 930232558 /nfs/dbraw/zinc/23/25/58/930232558.db2.gz LTKBNWKSDRPSJN-CYVLTUHYSA-N 2 0 350.506 3.836 20 0 FHADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000580099477 930247668 /nfs/dbraw/zinc/24/76/68/930247668.db2.gz IABBVWVVQHTCGL-SFHVURJKSA-N 2 0 370.324 3.740 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1)CC(C)C ZINC000580128549 930283559 /nfs/dbraw/zinc/28/35/59/930283559.db2.gz MCMBUUYHSSTVGU-UHFFFAOYSA-N 2 0 373.589 3.657 20 0 FHADRP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)C12CCC[NH+]1CCC2 ZINC000580200527 930353584 /nfs/dbraw/zinc/35/35/84/930353584.db2.gz XDJTZEWWMKGJDP-UHFFFAOYSA-N 2 0 373.566 3.832 20 0 FHADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000580232939 930390970 /nfs/dbraw/zinc/39/09/70/930390970.db2.gz DSQQRGQLEUACHY-OALUTQOASA-N 2 0 361.549 3.543 20 0 FHADRP C[C@@H]1[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000580252516 930406102 /nfs/dbraw/zinc/40/61/02/930406102.db2.gz AMYGPRHJRHQMPJ-DZFGPLHGSA-N 2 0 353.510 3.694 20 0 FHADRP CC(C)Oc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580311647 930471743 /nfs/dbraw/zinc/47/17/43/930471743.db2.gz XMFDKMYLAPBZEY-GMAHTHKFSA-N 2 0 366.505 3.862 20 0 FHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000580324539 930500921 /nfs/dbraw/zinc/50/09/21/930500921.db2.gz YKORQSNQGGISQT-HXUWFJFHSA-N 2 0 365.521 3.520 20 0 FHADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000458515625 937420456 /nfs/dbraw/zinc/42/04/56/937420456.db2.gz DDTFGMVTFWMFKC-INIZCTEOSA-N 2 0 371.529 3.661 20 0 FHADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000458515626 937420512 /nfs/dbraw/zinc/42/05/12/937420512.db2.gz DDTFGMVTFWMFKC-MRXNPFEDSA-N 2 0 371.529 3.661 20 0 FHADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548084212 930568392 /nfs/dbraw/zinc/56/83/92/930568392.db2.gz UTHJFPONGJMTEN-GOSISDBHSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000125182129 930584300 /nfs/dbraw/zinc/58/43/00/930584300.db2.gz DBGBEQNCBPBNDT-KGVIQGDOSA-N 2 0 362.521 3.903 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000047978745 930975162 /nfs/dbraw/zinc/97/51/62/930975162.db2.gz OEINUMYWNCDOQM-JOCHJYFZSA-N 2 0 371.569 3.624 20 0 FHADRP c1ccc(CC2CC[NH+](CCCN3CC[C@@H]([NH+]4CCCCC4)C3)CC2)cc1 ZINC001167429925 931001966 /nfs/dbraw/zinc/00/19/66/931001966.db2.gz OQXYUSMISJNCOM-XMMPIXPASA-N 2 0 369.597 3.891 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000580768821 931123833 /nfs/dbraw/zinc/12/38/33/931123833.db2.gz HKYMFRZDIPNQFZ-MRXNPFEDSA-N 2 0 351.922 3.770 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801764 931166032 /nfs/dbraw/zinc/16/60/32/931166032.db2.gz WYSDEHUNVQQQMR-ZIAGYGMSSA-N 2 0 357.311 3.839 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccc(O)cc3)CC2)cc1 ZINC000510355461 931213478 /nfs/dbraw/zinc/21/34/78/931213478.db2.gz OMJJAUWHVBEOBN-GOSISDBHSA-N 2 0 368.521 3.834 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000580915726 931341835 /nfs/dbraw/zinc/34/18/35/931341835.db2.gz AASJYYNHGXYGDB-FQEVSTJZSA-N 2 0 371.550 3.532 20 0 FHADRP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@@H]3C[N@H+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404509 931593579 /nfs/dbraw/zinc/59/35/79/931593579.db2.gz ZMTGICAUYSFDFN-YCSHWKNNSA-N 2 0 372.516 3.905 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367755 931654933 /nfs/dbraw/zinc/65/49/33/931654933.db2.gz TVTJBMQTMAGZTH-AEFFLSMTSA-N 2 0 351.560 3.512 20 0 FHADRP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156444 931718640 /nfs/dbraw/zinc/71/86/40/931718640.db2.gz ZAFNCHNWIQOUHI-PZJWPPBQSA-N 2 0 367.537 3.950 20 0 FHADRP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156434 931718667 /nfs/dbraw/zinc/71/86/67/931718667.db2.gz ZAFNCHNWIQOUHI-CTNGQTDRSA-N 2 0 367.537 3.950 20 0 FHADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000581305572 931808458 /nfs/dbraw/zinc/80/84/58/931808458.db2.gz OGPWSUUGHJNDAP-JOCHJYFZSA-N 2 0 368.521 3.556 20 0 FHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC000581337022 931853484 /nfs/dbraw/zinc/85/34/84/931853484.db2.gz QTVWQLLVTJCVFD-UHFFFAOYSA-N 2 0 351.579 3.563 20 0 FHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000430570257 931903338 /nfs/dbraw/zinc/90/33/38/931903338.db2.gz MYEGYDHALCCERB-NQIIRXRSSA-N 2 0 373.566 3.649 20 0 FHADRP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)C[NH3+] ZINC000430582571 931953472 /nfs/dbraw/zinc/95/34/72/931953472.db2.gz KFNABGGZGIBGFA-UHFFFAOYSA-N 2 0 355.482 3.724 20 0 FHADRP C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163159 931974742 /nfs/dbraw/zinc/97/47/42/931974742.db2.gz YTSGAYONLOXJHK-HFSMHLIXSA-N 2 0 357.567 3.851 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510417484 931994777 /nfs/dbraw/zinc/99/47/77/931994777.db2.gz VPLCKSUBPSKUIW-QYZOEREBSA-N 2 0 368.521 3.722 20 0 FHADRP COc1ccc(Br)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164199 932195236 /nfs/dbraw/zinc/19/52/36/932195236.db2.gz JLFOZYOAZGFLOS-MQVJKMGUSA-N 2 0 353.304 3.563 20 0 FHADRP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000581577117 932265829 /nfs/dbraw/zinc/26/58/29/932265829.db2.gz NTSZETYZRWBJKX-NQIIRXRSSA-N 2 0 369.553 3.594 20 0 FHADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000581577119 932265923 /nfs/dbraw/zinc/26/59/23/932265923.db2.gz NTSZETYZRWBJKX-WIYYLYMNSA-N 2 0 369.553 3.594 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1)C(C)C ZINC000247342850 932376121 /nfs/dbraw/zinc/37/61/21/932376121.db2.gz JHBAAIVAIDRCSB-RXVVDRJESA-N 2 0 359.558 3.719 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccccc2F)c1)C1CCOCC1 ZINC000076399887 932377319 /nfs/dbraw/zinc/37/73/19/932377319.db2.gz ZJDZGKHDDCWGSA-UHFFFAOYSA-N 2 0 372.484 3.605 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784069 932419843 /nfs/dbraw/zinc/41/98/43/932419843.db2.gz CJRTUFIEZYNBPF-HNNXBMFYSA-N 2 0 360.452 3.567 20 0 FHADRP O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000581824794 932692040 /nfs/dbraw/zinc/69/20/40/932692040.db2.gz AHBCAMPWVPUZAK-HXUWFJFHSA-N 2 0 367.468 3.581 20 0 FHADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000471829932 933072774 /nfs/dbraw/zinc/07/27/74/933072774.db2.gz GVBXGGMBGORFHQ-QZTJIDSGSA-N 2 0 358.448 3.628 20 0 FHADRP Cc1cccc([C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2cccc(F)c2)c1 ZINC000510654830 933366686 /nfs/dbraw/zinc/36/66/86/933366686.db2.gz CFMUUVCOVYTVTB-QHCPKHFHSA-N 2 0 369.528 3.839 20 0 FHADRP Cc1cccc([C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2cccc(F)c2)c1 ZINC000510654829 933367905 /nfs/dbraw/zinc/36/79/05/933367905.db2.gz CFMUUVCOVYTVTB-HSZRJFAPSA-N 2 0 369.528 3.839 20 0 FHADRP c1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000430916114 933410715 /nfs/dbraw/zinc/41/07/15/933410715.db2.gz TXHVHYUGYRGAEJ-UHFFFAOYSA-N 2 0 373.504 3.510 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927133 933424868 /nfs/dbraw/zinc/42/48/68/933424868.db2.gz PQVACYAFOMTBIN-DYESRHJHSA-N 2 0 371.569 3.707 20 0 FHADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1OCc1ccccc1 ZINC000430939346 933438236 /nfs/dbraw/zinc/43/82/36/933438236.db2.gz FSPWKPGSKMGQKG-UHFFFAOYSA-N 2 0 366.505 3.850 20 0 FHADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OCc1ccccc1 ZINC000430933488 933438922 /nfs/dbraw/zinc/43/89/22/933438922.db2.gz KZYGRZFCSAIFBA-UHFFFAOYSA-N 2 0 366.505 3.850 20 0 FHADRP [NH3+]C[C@H]1CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000430940787 933450865 /nfs/dbraw/zinc/45/08/65/933450865.db2.gz RDWXGGMYUWMYQW-MRXNPFEDSA-N 2 0 354.885 3.519 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000430944103 933458264 /nfs/dbraw/zinc/45/82/64/933458264.db2.gz RMUCRVGVHAEOGD-UHFFFAOYSA-N 2 0 364.287 3.536 20 0 FHADRP Cc1cccc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510712782 933488658 /nfs/dbraw/zinc/48/86/58/933488658.db2.gz IQDFPDSYNVODNU-WMZHIEFXSA-N 2 0 369.528 3.697 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747790 933639306 /nfs/dbraw/zinc/63/93/06/933639306.db2.gz FRGKDZLHBNOEKX-AUSIDOKSSA-N 2 0 369.528 3.839 20 0 FHADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000431042175 933738826 /nfs/dbraw/zinc/73/88/26/933738826.db2.gz DGRJQLYVDFLDAI-ILWGZMRPSA-N 2 0 371.569 3.666 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000548449885 933893477 /nfs/dbraw/zinc/89/34/77/933893477.db2.gz QITAXPYUXQDHLI-ROUUACIJSA-N 2 0 359.558 3.701 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000548449484 933895399 /nfs/dbraw/zinc/89/53/99/933895399.db2.gz JMENDGFONIYMKI-MSOLQXFVSA-N 2 0 359.558 3.844 20 0 FHADRP COc1ccc([C@@H](CNc2cc[nH+]c3c(O)cccc23)[NH+](C)C)cc1OC ZINC000684565445 934021131 /nfs/dbraw/zinc/02/11/31/934021131.db2.gz HSJPSIHHGSYJDG-QGZVFWFLSA-N 2 0 367.449 3.672 20 0 FHADRP CCOc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1OC(F)F ZINC000092381340 934031923 /nfs/dbraw/zinc/03/19/23/934031923.db2.gz WBJSBXAYYORKMV-UHFFFAOYSA-N 2 0 356.457 3.850 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000132465123 934057343 /nfs/dbraw/zinc/05/73/43/934057343.db2.gz SPPCIRJVXVOVCV-TZMCWYRMSA-N 2 0 364.386 3.978 20 0 FHADRP COc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000548483588 934132845 /nfs/dbraw/zinc/13/28/45/934132845.db2.gz RBPPDWYWVHXIDN-RXVVDRJESA-N 2 0 368.521 3.747 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CCCO1 ZINC000510960857 934228247 /nfs/dbraw/zinc/22/82/47/934228247.db2.gz KSCCOCAEHPGKLK-KDOFPFPSSA-N 2 0 367.331 3.527 20 0 FHADRP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000510987587 934462550 /nfs/dbraw/zinc/46/25/50/934462550.db2.gz SRDNWYMFEOAIJH-NYVOZVTQSA-N 2 0 350.506 3.880 20 0 FHADRP Cc1nccn1CCC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000510990211 934549235 /nfs/dbraw/zinc/54/92/35/934549235.db2.gz AILDEHQPQKHMNQ-GFCCVEGCSA-N 2 0 354.267 3.704 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)c1ccccc1Cl ZINC000236838031 934796387 /nfs/dbraw/zinc/79/63/87/934796387.db2.gz JXHUVBUPWWZXFQ-IBGZPJMESA-N 2 0 359.901 3.612 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892041632 934878120 /nfs/dbraw/zinc/87/81/20/934878120.db2.gz JCRBSYGGKIPAMG-YRISNDGFSA-N 2 0 372.557 3.536 20 0 FHADRP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1O ZINC000426170934 945070851 /nfs/dbraw/zinc/07/08/51/945070851.db2.gz FKEPUWYGKDFDLU-OAHLLOKOSA-N 2 0 360.473 3.712 20 0 FHADRP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000439909350 945072178 /nfs/dbraw/zinc/07/21/78/945072178.db2.gz FNOPMGMFXJZGLK-CTNGQTDRSA-N 2 0 372.557 3.703 20 0 FHADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472109956 935052966 /nfs/dbraw/zinc/05/29/66/935052966.db2.gz FXADVXDDOAXTDH-CTNGQTDRSA-N 2 0 374.573 3.585 20 0 FHADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OCc1ccccc1 ZINC000415006075 945076531 /nfs/dbraw/zinc/07/65/31/945076531.db2.gz PTJPBBUOZSBCDB-QUCCMNQESA-N 2 0 354.494 3.881 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000657314827 935145693 /nfs/dbraw/zinc/14/56/93/935145693.db2.gz BFOYLRHHQOWZNY-UHFFFAOYSA-N 2 0 358.457 3.597 20 0 FHADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000582050936 935177171 /nfs/dbraw/zinc/17/71/71/935177171.db2.gz QVDJKTDFGIIZSF-BEFAXECRSA-N 2 0 370.522 3.556 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000582050971 935177452 /nfs/dbraw/zinc/17/74/52/935177452.db2.gz SOCCRGYWWJMISX-LPHOPBHVSA-N 2 0 372.538 3.672 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157873761 935216762 /nfs/dbraw/zinc/21/67/62/935216762.db2.gz TWZYJSKIHDLJII-CVEARBPZSA-N 2 0 370.534 3.534 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000519076390 945084780 /nfs/dbraw/zinc/08/47/80/945084780.db2.gz WLOPPISBSNTCGT-NRFANRHFSA-N 2 0 361.961 3.893 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657332956 935247699 /nfs/dbraw/zinc/24/76/99/935247699.db2.gz VNKYMFREBNNLFT-QHCPKHFHSA-N 2 0 368.521 3.984 20 0 FHADRP Cn1ncc(C(F)(F)F)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000657338052 935265745 /nfs/dbraw/zinc/26/57/45/935265745.db2.gz HMGVQRZDXAVMMS-UHFFFAOYSA-N 2 0 372.460 3.502 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707947605 935309374 /nfs/dbraw/zinc/30/93/74/935309374.db2.gz FDVKYYJFNGQWFK-VJANTYMQSA-N 2 0 365.562 3.629 20 0 FHADRP COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657354663 935334656 /nfs/dbraw/zinc/33/46/56/935334656.db2.gz UXRCBZVXPVIJAY-MRXNPFEDSA-N 2 0 368.506 3.794 20 0 FHADRP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000657364149 935371821 /nfs/dbraw/zinc/37/18/21/935371821.db2.gz UBAATTZDISVAKX-MRXNPFEDSA-N 2 0 360.473 3.591 20 0 FHADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158156785 935374559 /nfs/dbraw/zinc/37/45/59/935374559.db2.gz BTSMJKIPVVAHHF-MRXNPFEDSA-N 2 0 366.937 3.554 20 0 FHADRP CCOc1cccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000161185762 935421889 /nfs/dbraw/zinc/42/18/89/935421889.db2.gz IKYACUVVKQIOKQ-SFHVURJKSA-N 2 0 368.521 3.893 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000657374500 935455655 /nfs/dbraw/zinc/45/56/55/935455655.db2.gz MIFLPLDZNCFERU-UHFFFAOYSA-N 2 0 364.493 3.812 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716830 935464604 /nfs/dbraw/zinc/46/46/04/935464604.db2.gz NHWPOVKJGJKQSF-UHFFFAOYSA-N 2 0 359.558 3.751 20 0 FHADRP CCC1(C[NH2+]Cc2cnn3c2CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000657415656 935640283 /nfs/dbraw/zinc/64/02/83/935640283.db2.gz FURXOBPMNLVIDD-UHFFFAOYSA-N 2 0 352.526 3.611 20 0 FHADRP Cc1cc(F)ccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000509567538 945120028 /nfs/dbraw/zinc/12/00/28/945120028.db2.gz DWHNBIHTCPLWSE-QFIPXVFZSA-N 2 0 355.501 3.603 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)C1 ZINC000161289215 935760911 /nfs/dbraw/zinc/76/09/11/935760911.db2.gz DDXSCBVLQXXMAV-SFHVURJKSA-N 2 0 358.526 3.694 20 0 FHADRP COc1cc(CCC2CC[NH+](CCCc3cncn3C)CC2)cc(OC)c1 ZINC000582494830 935777482 /nfs/dbraw/zinc/77/74/82/935777482.db2.gz LAFMKAAKBHLJKR-UHFFFAOYSA-N 2 0 371.525 3.715 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586399 935849236 /nfs/dbraw/zinc/84/92/36/935849236.db2.gz MINCXZMSQLQKRO-NOCIGQNYSA-N 2 0 370.459 3.973 20 0 FHADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000582598905 935861124 /nfs/dbraw/zinc/86/11/24/935861124.db2.gz LLSLKTNPQKQABX-UHFFFAOYSA-N 2 0 363.465 3.601 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000582661040 935918639 /nfs/dbraw/zinc/91/86/39/935918639.db2.gz WHEVYVGISWTXMG-MRXNPFEDSA-N 2 0 351.922 3.770 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537168 935975965 /nfs/dbraw/zinc/97/59/65/935975965.db2.gz ATVZTJWXYLZSHC-UHFFFAOYSA-N 2 0 370.459 3.994 20 0 FHADRP Cc1ccc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)ccc2n1 ZINC000657537805 935979434 /nfs/dbraw/zinc/97/94/34/935979434.db2.gz TXXNMZLIGPJKKN-UHFFFAOYSA-N 2 0 353.510 3.524 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237472225 936068791 /nfs/dbraw/zinc/06/87/91/936068791.db2.gz JAIIHJNQTVGAGI-VAMGGRTRSA-N 2 0 371.569 3.561 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597230 936073108 /nfs/dbraw/zinc/07/31/08/936073108.db2.gz RBEFFKREFSPOPK-WOJBJXKFSA-N 2 0 370.924 3.554 20 0 FHADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596233 936076632 /nfs/dbraw/zinc/07/66/32/936076632.db2.gz MPWLQCDJIDHQBM-KKSFZXQISA-N 2 0 358.913 3.627 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237519865 936104610 /nfs/dbraw/zinc/10/46/10/936104610.db2.gz LUJDVOPBJKYSKT-PGRDOPGGSA-N 2 0 365.521 3.767 20 0 FHADRP C[C@@H](CC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000237568156 936140956 /nfs/dbraw/zinc/14/09/56/936140956.db2.gz XLDPHUVSJYCKBZ-IBGZPJMESA-N 2 0 352.522 3.927 20 0 FHADRP COCCC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000516690060 945148078 /nfs/dbraw/zinc/14/80/78/945148078.db2.gz TZSCZGKTHQHASZ-JQIJEIRASA-N 2 0 368.468 3.782 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)C[NH+](C)C ZINC000120420542 936220643 /nfs/dbraw/zinc/22/06/43/936220643.db2.gz KROAYKDBAYMWPE-CYBMUJFWSA-N 2 0 359.436 3.600 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899174 936271394 /nfs/dbraw/zinc/27/13/94/936271394.db2.gz AJTLXIFXQSAXNO-FHTPNYMGSA-N 2 0 366.505 3.519 20 0 FHADRP CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000150999717 938259720 /nfs/dbraw/zinc/25/97/20/938259720.db2.gz LGKGKRSHGNOBHB-NRFANRHFSA-N 2 0 359.558 3.698 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151002164 938268764 /nfs/dbraw/zinc/26/87/64/938268764.db2.gz DOBHGZHBJITQKC-KRWDZBQOSA-N 2 0 356.341 3.596 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(-c4ccncc4)cc3F)C2)C1 ZINC000650707488 938289514 /nfs/dbraw/zinc/28/95/14/938289514.db2.gz HBZNIIBFTDLHPA-TUNNFDKTSA-N 2 0 369.484 3.606 20 0 FHADRP CCOc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc(Cl)c1OC ZINC000650718501 938305873 /nfs/dbraw/zinc/30/58/73/938305873.db2.gz PIJSFTRTIQJXGB-UHFFFAOYSA-N 2 0 352.837 3.635 20 0 FHADRP CCCn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657772393 938308684 /nfs/dbraw/zinc/30/86/84/938308684.db2.gz MSGHKXXILAMCTM-NRFANRHFSA-N 2 0 352.526 3.685 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000650723601 938310763 /nfs/dbraw/zinc/31/07/63/938310763.db2.gz QSMZSFSKQJMGFI-KBRIMQKVSA-N 2 0 360.395 3.705 20 0 FHADRP CN(C)c1cc[nH+]cc1CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773621 938310791 /nfs/dbraw/zinc/31/07/91/938310791.db2.gz UFHXORZYGZLKEY-NRFANRHFSA-N 2 0 364.537 3.540 20 0 FHADRP CCn1nc(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1C ZINC000657772944 938313063 /nfs/dbraw/zinc/31/30/63/938313063.db2.gz OVNLRPXDXDJQRO-NRFANRHFSA-N 2 0 366.553 3.912 20 0 FHADRP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657778521 938337601 /nfs/dbraw/zinc/33/76/01/938337601.db2.gz QPEGMBAIMNILMP-KZNAEPCWSA-N 2 0 351.332 3.987 20 0 FHADRP OC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC(F)(F)CC1 ZINC000657778790 938348331 /nfs/dbraw/zinc/34/83/31/938348331.db2.gz VKXLGUPZPKIHPP-SFHVURJKSA-N 2 0 364.480 3.714 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665590 938348922 /nfs/dbraw/zinc/34/89/22/938348922.db2.gz FGMVTQMSXLEIMI-FGZHOGPDSA-N 2 0 371.569 3.606 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000583665591 938349359 /nfs/dbraw/zinc/34/93/59/938349359.db2.gz FGMVTQMSXLEIMI-VXKWHMMOSA-N 2 0 371.569 3.606 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000583753002 938390901 /nfs/dbraw/zinc/39/09/01/938390901.db2.gz KJRSNLLGIPAMPJ-UHFFFAOYSA-N 2 0 367.541 3.882 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000583761689 938394933 /nfs/dbraw/zinc/39/49/33/938394933.db2.gz ZHSQJXSRJNYFLZ-LJQANCHMSA-N 2 0 365.949 3.523 20 0 FHADRP CS[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000536131293 938418598 /nfs/dbraw/zinc/41/85/98/938418598.db2.gz ARNVYOXKSRKEBL-JKSUJKDBSA-N 2 0 367.990 3.856 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)[C@H](C)C1 ZINC000151164490 938436917 /nfs/dbraw/zinc/43/69/17/938436917.db2.gz GHNMEUVFAHDUCN-VQIMIIECSA-N 2 0 350.934 3.708 20 0 FHADRP Cc1csc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000157917732 938453423 /nfs/dbraw/zinc/45/34/23/938453423.db2.gz KXADCTUDTRCZCF-MRXNPFEDSA-N 2 0 350.576 3.522 20 0 FHADRP CCCO[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](OCCC)CC2)CC1 ZINC000158050083 938467741 /nfs/dbraw/zinc/46/77/41/938467741.db2.gz VQJJMXJQPSBUMB-SFTDATJTSA-N 2 0 354.579 3.939 20 0 FHADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1OC(F)F ZINC000657811798 938518140 /nfs/dbraw/zinc/51/81/40/938518140.db2.gz GSCZSFAPBDHRMG-UHFFFAOYSA-N 2 0 368.468 3.898 20 0 FHADRP COc1cc(Br)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813739 938519813 /nfs/dbraw/zinc/51/98/13/938519813.db2.gz ZAGFZPLCEVDXEG-UHFFFAOYSA-N 2 0 367.331 3.669 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278545796 938523032 /nfs/dbraw/zinc/52/30/32/938523032.db2.gz YGCDVVCSOVYLSK-UHFFFAOYSA-N 2 0 351.494 3.721 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000657827664 938591346 /nfs/dbraw/zinc/59/13/46/938591346.db2.gz OXZJKTGYKRLGLM-QFIPXVFZSA-N 2 0 360.542 3.594 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000080650328 938594483 /nfs/dbraw/zinc/59/44/83/938594483.db2.gz PKPJDBJWFCEBJO-UHFFFAOYSA-N 2 0 371.525 3.973 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000584108214 938600704 /nfs/dbraw/zinc/60/07/04/938600704.db2.gz RTOBDIZMVBOIHD-LPHOPBHVSA-N 2 0 372.538 3.720 20 0 FHADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000584289838 938672368 /nfs/dbraw/zinc/67/23/68/938672368.db2.gz LUVMRGSWTAOCLH-QUCCMNQESA-N 2 0 365.521 3.691 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000657838610 938676295 /nfs/dbraw/zinc/67/62/95/938676295.db2.gz WQALRCPGQMTVIO-CVDCTZTESA-N 2 0 374.569 3.982 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OCC(F)(F)F ZINC000414964658 945197372 /nfs/dbraw/zinc/19/73/72/945197372.db2.gz DZCGGHPKRIMURF-MRXNPFEDSA-N 2 0 360.420 3.504 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C(c1ccccc1)c1ccccc1 ZINC000151850587 938711988 /nfs/dbraw/zinc/71/19/88/938711988.db2.gz AMMNPSOKICLRML-IBGZPJMESA-N 2 0 352.522 3.501 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000516745424 945210221 /nfs/dbraw/zinc/21/02/21/945210221.db2.gz ULFMCQNTFQJAKF-IEBWSBKVSA-N 2 0 357.523 3.528 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000584426377 938860235 /nfs/dbraw/zinc/86/02/35/938860235.db2.gz NGJBTBTUPJZZMX-ZRBLBEILSA-N 3 0 367.537 3.874 20 0 FHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000090943716 938879281 /nfs/dbraw/zinc/87/92/81/938879281.db2.gz ZZAGTQHLJJJHOQ-HZMBPMFUSA-N 2 0 365.237 3.898 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(C)cc3)C3CC3)cn2)CC1 ZINC000091286983 938899582 /nfs/dbraw/zinc/89/95/82/938899582.db2.gz CPDGJYWFGNLIEK-QHCPKHFHSA-N 2 0 364.537 3.773 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091336536 938900190 /nfs/dbraw/zinc/90/01/90/938900190.db2.gz XBVNBKQCAUSGIP-MOPGFXCFSA-N 2 0 370.459 3.983 20 0 FHADRP CC(C)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091334823 938900212 /nfs/dbraw/zinc/90/02/12/938900212.db2.gz PPGYICMSDIBILR-CRAIPNDOSA-N 2 0 357.464 3.628 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091367512 938900615 /nfs/dbraw/zinc/90/06/15/938900615.db2.gz MNBKDLQPVBDBAD-IBGZPJMESA-N 2 0 369.475 3.772 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3ccc(F)cn3)CC2)c1 ZINC000092737930 938919034 /nfs/dbraw/zinc/91/90/34/938919034.db2.gz IZYSEMFMUDQCDM-LJQANCHMSA-N 2 0 370.516 3.782 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000093769482 938930112 /nfs/dbraw/zinc/93/01/12/938930112.db2.gz YLAZUVNYERHZBV-UHFFFAOYSA-N 2 0 365.587 3.981 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000431562300 938970515 /nfs/dbraw/zinc/97/05/15/938970515.db2.gz BROGSSXYHFWCSL-RBUKOAKNSA-N 2 0 371.550 3.694 20 0 FHADRP C[C@@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000685424676 938985636 /nfs/dbraw/zinc/98/56/36/938985636.db2.gz FCYPFQQNJBQMGC-YJBOKZPZSA-N 2 0 369.475 3.567 20 0 FHADRP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442264 938986752 /nfs/dbraw/zinc/98/67/52/938986752.db2.gz NXPUTMNXXNEQQH-TZIWHRDSSA-N 2 0 360.542 3.677 20 0 FHADRP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000685456402 938987706 /nfs/dbraw/zinc/98/77/06/938987706.db2.gz AEVPJMFLEBVBEA-UHFFFAOYSA-N 2 0 354.494 3.745 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457605 938987889 /nfs/dbraw/zinc/98/78/89/938987889.db2.gz GLHMVDALBYESBZ-LJQANCHMSA-N 2 0 369.475 3.614 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000708572098 938992041 /nfs/dbraw/zinc/99/20/41/938992041.db2.gz CTKJLKDHBQNZQX-FUHWJXTLSA-N 2 0 368.912 3.845 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000657924630 939007563 /nfs/dbraw/zinc/00/75/63/939007563.db2.gz CXCMRKUSWXTBDI-YZGWKJHDSA-N 2 0 350.934 3.629 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nccc2ccccc21 ZINC000685653815 939009073 /nfs/dbraw/zinc/00/90/73/939009073.db2.gz XECVKWPPFOZJNP-UWJYYQICSA-N 2 0 361.489 3.652 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000421365359 939018150 /nfs/dbraw/zinc/01/81/50/939018150.db2.gz ADDFVNQIIUIFAJ-UHFFFAOYSA-N 2 0 362.315 3.960 20 0 FHADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069005 939021715 /nfs/dbraw/zinc/02/17/15/939021715.db2.gz CAWFGPSMDHATNO-HSZRJFAPSA-N 2 0 374.569 3.708 20 0 FHADRP CSc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070355 939021912 /nfs/dbraw/zinc/02/19/12/939021912.db2.gz OCSQYHQZYTVJKG-KRWDZBQOSA-N 2 0 362.583 3.820 20 0 FHADRP Cc1nc(COc2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)cs1 ZINC000415008642 945221301 /nfs/dbraw/zinc/22/13/01/945221301.db2.gz NBSFHLANHNFKCU-VQTJNVASSA-N 2 0 357.523 3.508 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136418 939029867 /nfs/dbraw/zinc/02/98/67/939029867.db2.gz IIIIOQKLBXFGOG-GAJHUEQPSA-N 2 0 350.506 3.981 20 0 FHADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CC2)cc1 ZINC000658134497 939030233 /nfs/dbraw/zinc/03/02/33/939030233.db2.gz AZYMLQARKQYJTG-XZOQPEGZSA-N 2 0 350.506 3.803 20 0 FHADRP CC1(C)C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000658136512 939031039 /nfs/dbraw/zinc/03/10/39/939031039.db2.gz DHIHTAPXIFMGEA-UGKGYDQZSA-N 2 0 350.506 3.765 20 0 FHADRP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658142903 939035441 /nfs/dbraw/zinc/03/54/41/939035441.db2.gz ZVAVSQBZTVQTEG-FHZYATBESA-N 2 0 350.506 3.666 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(OC)cc1 ZINC000658143178 939035851 /nfs/dbraw/zinc/03/58/51/939035851.db2.gz XHKHKROPPPOUCY-UNMCSNQZSA-N 2 0 354.494 3.503 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138010 939040593 /nfs/dbraw/zinc/04/05/93/939040593.db2.gz LSLSBGPWLLPOBD-KSSFIOAISA-N 2 0 362.876 3.897 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)cc2)C1 ZINC000658138849 939041188 /nfs/dbraw/zinc/04/11/88/939041188.db2.gz OOICFGUOBJSCFK-PZJWPPBQSA-N 2 0 356.897 3.684 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)[C@@H](C)C2 ZINC000658139382 939042838 /nfs/dbraw/zinc/04/28/38/939042838.db2.gz QDZBBALSNIRTIS-AMHTUMDSSA-N 2 0 350.506 3.585 20 0 FHADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658139510 939042896 /nfs/dbraw/zinc/04/28/96/939042896.db2.gz MHYLCLICLZYMRX-OXJNMPFZSA-N 2 0 356.535 3.826 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cnn(C2CCCC2)c1 ZINC000658167523 939055055 /nfs/dbraw/zinc/05/50/55/939055055.db2.gz SNQFJPOJSQZCEW-GOSISDBHSA-N 2 0 367.541 3.956 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000658209782 939070404 /nfs/dbraw/zinc/07/04/04/939070404.db2.gz SEYNFKKFJQMRGW-YOEHRIQHSA-N 2 0 351.332 3.844 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658235660 939077841 /nfs/dbraw/zinc/07/78/41/939077841.db2.gz QIAFUSROKGURQS-HQMSXXKGSA-N 2 0 358.574 3.764 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658236835 939078291 /nfs/dbraw/zinc/07/82/91/939078291.db2.gz XOGANSJHXCPFFA-FDTGPBLFSA-N 2 0 366.553 3.632 20 0 FHADRP CNC(=O)CC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCCCC1 ZINC000658303578 939095443 /nfs/dbraw/zinc/09/54/43/939095443.db2.gz BRTWIYNJVJZDTC-ICSRJNTNSA-N 2 0 363.590 3.706 20 0 FHADRP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319252 939109877 /nfs/dbraw/zinc/10/98/77/939109877.db2.gz YJTYRMXZXPDTHH-XLIONFOSSA-N 2 0 350.510 3.738 20 0 FHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658356179 939124880 /nfs/dbraw/zinc/12/48/80/939124880.db2.gz MSKWQYRYUDLQSN-DLBZAZTESA-N 2 0 360.542 3.907 20 0 FHADRP c1cnc2c(c1)CC[C@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000421828813 939130317 /nfs/dbraw/zinc/13/03/17/939130317.db2.gz FKOQXBXVDVVZIH-NRFANRHFSA-N 2 0 365.521 3.593 20 0 FHADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1I ZINC000507429583 945232019 /nfs/dbraw/zinc/23/20/19/945232019.db2.gz PGGTZRYNEGRWSI-ZDUSSCGKSA-N 2 0 372.294 3.674 20 0 FHADRP c1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)onc1-c1ccccc1 ZINC000506028322 945239652 /nfs/dbraw/zinc/23/96/52/945239652.db2.gz SCLSCRBRYOAQEV-UHFFFAOYSA-N 2 0 369.509 3.666 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000507464359 945264721 /nfs/dbraw/zinc/26/47/21/945264721.db2.gz XEGNHCJQDJEXDC-HXUWFJFHSA-N 2 0 366.553 3.897 20 0 FHADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000312932171 945266976 /nfs/dbraw/zinc/26/69/76/945266976.db2.gz ODFBRPCYFLSRGY-XMSQKQJNSA-N 2 0 374.475 3.890 20 0 FHADRP C[C@H](CC[NH2+]C1CCN(CCC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000507496402 945267555 /nfs/dbraw/zinc/26/75/55/945267555.db2.gz OPOMEPYKXCRZME-QGZVFWFLSA-N 2 0 371.491 3.903 20 0 FHADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000507536271 945295235 /nfs/dbraw/zinc/29/52/35/945295235.db2.gz WLXJOJWILQQYKX-PSWRPDDJSA-N 2 0 356.554 3.675 20 0 FHADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)CC1 ZINC000376000420 940167719 /nfs/dbraw/zinc/16/77/19/940167719.db2.gz PBEQEOKOUPGJMZ-UHFFFAOYSA-N 2 0 352.482 3.577 20 0 FHADRP CC(C)n1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1 ZINC000584492227 940182933 /nfs/dbraw/zinc/18/29/33/940182933.db2.gz VYAPDHSJOWCHHM-UHFFFAOYSA-N 2 0 369.557 3.684 20 0 FHADRP CN(c1ccccc1C[NH2+]CCSC(F)(F)F)C1CC[NH+](C)CC1 ZINC000177563777 940281775 /nfs/dbraw/zinc/28/17/75/940281775.db2.gz QHBFGRMGHRLIPS-UHFFFAOYSA-N 2 0 361.477 3.560 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000544301939 945313401 /nfs/dbraw/zinc/31/34/01/945313401.db2.gz LDPKMEBMQGRBCO-LJQANCHMSA-N 2 0 374.573 3.592 20 0 FHADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)c(C)n2n1 ZINC000376162186 940392396 /nfs/dbraw/zinc/39/23/96/940392396.db2.gz LNQOYLKWIXUTIZ-NBCNXNJRSA-N 2 0 363.509 3.690 20 0 FHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000531141752 940434068 /nfs/dbraw/zinc/43/40/68/940434068.db2.gz AGCNQSSZSADZPB-HNNXBMFYSA-N 2 0 374.481 3.582 20 0 FHADRP C[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000472503096 940445537 /nfs/dbraw/zinc/44/55/37/940445537.db2.gz RVSDZFNBVAPBOF-DYQZNNLLSA-N 2 0 371.569 3.524 20 0 FHADRP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924566189 940461895 /nfs/dbraw/zinc/46/18/95/940461895.db2.gz VOCIVANQAFYIFM-OAHLLOKOSA-N 2 0 358.482 3.625 20 0 FHADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1C[C@H]1C ZINC000414062283 940470276 /nfs/dbraw/zinc/47/02/76/940470276.db2.gz BKMDWHJUCWPXAM-WTNAPCKOSA-N 2 0 360.542 3.700 20 0 FHADRP CC(C)Oc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000613256900 940496321 /nfs/dbraw/zinc/49/63/21/940496321.db2.gz FUBKJDPBBASZQD-FQEVSTJZSA-N 2 0 373.566 3.614 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000647503862 940498218 /nfs/dbraw/zinc/49/82/18/940498218.db2.gz PGFBDAXTNUAWHZ-UHFFFAOYSA-N 2 0 352.482 3.655 20 0 FHADRP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431801966 940606334 /nfs/dbraw/zinc/60/63/34/940606334.db2.gz QTLVGRAGJSEZTI-CEMLEFRQSA-N 2 0 371.569 3.762 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1)C(C)C ZINC000519359137 945337057 /nfs/dbraw/zinc/33/70/57/945337057.db2.gz HJCVAZXIBLEUBU-OALUTQOASA-N 2 0 359.558 3.910 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168371 940704085 /nfs/dbraw/zinc/70/40/85/940704085.db2.gz ACDZFIAOHMXSNY-ZBFHGGJFSA-N 2 0 361.921 3.612 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414178048 940717264 /nfs/dbraw/zinc/71/72/64/940717264.db2.gz KBILSPPXQHBPSO-ZWKOTPCHSA-N 2 0 360.546 3.943 20 0 FHADRP CC(C)N(CC[NH+](C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000440255240 945347204 /nfs/dbraw/zinc/34/72/04/945347204.db2.gz YMFZSADQRXUUOO-IBGZPJMESA-N 2 0 374.573 3.632 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000613492397 940775454 /nfs/dbraw/zinc/77/54/54/940775454.db2.gz LQFZNKKBMHCKCN-LEWJYISDSA-N 2 0 363.590 3.612 20 0 FHADRP CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000174819826 940780150 /nfs/dbraw/zinc/78/01/50/940780150.db2.gz JDXMNETVMMGDRP-IBGZPJMESA-N 2 0 360.546 3.519 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892580482 940835687 /nfs/dbraw/zinc/83/56/87/940835687.db2.gz KSUMCANXOGILNX-KRWDZBQOSA-N 2 0 352.526 3.962 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000414257069 940845087 /nfs/dbraw/zinc/84/50/87/940845087.db2.gz WVGNRCJKLMMMSK-GMQQQROESA-N 2 0 374.573 3.613 20 0 FHADRP CCc1ncc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cn1 ZINC000414276582 940879937 /nfs/dbraw/zinc/87/99/37/940879937.db2.gz AKQZNSLIHIGXLT-ROUUACIJSA-N 2 0 352.526 3.807 20 0 FHADRP OC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414306448 940929569 /nfs/dbraw/zinc/92/95/69/940929569.db2.gz OFDOLVHLHSKKCN-JOCHJYFZSA-N 2 0 368.496 3.820 20 0 FHADRP OC1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307267 940933292 /nfs/dbraw/zinc/93/32/92/940933292.db2.gz OZEMTRNSGHNXSS-GOTSBHOMSA-N 2 0 364.533 3.939 20 0 FHADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000310874062 940963361 /nfs/dbraw/zinc/96/33/61/940963361.db2.gz GMENVLHQZRKDSZ-NQIIRXRSSA-N 2 0 358.913 3.875 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414320012 940964056 /nfs/dbraw/zinc/96/40/56/940964056.db2.gz AWEHCAALGRIZIY-LJQANCHMSA-N 2 0 371.550 3.686 20 0 FHADRP CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414320008 940964097 /nfs/dbraw/zinc/96/40/97/940964097.db2.gz AWCNCXBADMCBGD-UWJYYQICSA-N 2 0 359.558 3.688 20 0 FHADRP CC(C)CC(CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414333208 940993037 /nfs/dbraw/zinc/99/30/37/940993037.db2.gz WEANQZFRNNDOJW-UHFFFAOYSA-N 2 0 373.585 3.934 20 0 FHADRP Cc1occc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000414355323 941037956 /nfs/dbraw/zinc/03/79/56/941037956.db2.gz BOWNMUWXTBMFLY-UHFFFAOYSA-N 2 0 367.415 3.648 20 0 FHADRP CCc1ncc(C[NH2+]CC2(CC)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414365630 941057586 /nfs/dbraw/zinc/05/75/86/941057586.db2.gz MKAJYSNJWPQHNJ-UHFFFAOYSA-N 2 0 352.526 3.821 20 0 FHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423390589 941095464 /nfs/dbraw/zinc/09/54/64/941095464.db2.gz OZIVDPSDIZISNS-DCAQKATOSA-N 2 0 350.356 3.810 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(F)c1 ZINC000187804248 941126615 /nfs/dbraw/zinc/12/66/15/941126615.db2.gz DOKZBMCIMNYTEA-QFIPXVFZSA-N 2 0 355.501 3.814 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659285226 941148240 /nfs/dbraw/zinc/14/82/40/941148240.db2.gz QPCQQTJPRYJCAL-FQEVSTJZSA-N 2 0 371.550 3.653 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165383586 941150896 /nfs/dbraw/zinc/15/08/96/941150896.db2.gz QPIFTBARMWWPEL-JKSUJKDBSA-N 2 0 370.497 3.529 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1 ZINC000178367982 941237680 /nfs/dbraw/zinc/23/76/80/941237680.db2.gz HZPFVYJGIUFMMB-VQIMIIECSA-N 2 0 369.475 3.656 20 0 FHADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000180103681 941352322 /nfs/dbraw/zinc/35/23/22/941352322.db2.gz YFQRWVHJUCZNOU-KBRMVUAJSA-N 2 0 354.469 3.644 20 0 FHADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000180103699 941352506 /nfs/dbraw/zinc/35/25/06/941352506.db2.gz YFQRWVHJUCZNOU-LQCXBHPOSA-N 2 0 354.469 3.644 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC000376983341 941482951 /nfs/dbraw/zinc/48/29/51/941482951.db2.gz SHTCPHFJNXEFCO-KRWDZBQOSA-N 2 0 369.509 3.623 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3CCC(c4ccccc4)CC3)C2)CC1 ZINC000189016399 941535377 /nfs/dbraw/zinc/53/53/77/941535377.db2.gz LKSPXDPWCPLNEA-SDVLMSEASA-N 2 0 355.570 3.672 20 0 FHADRP O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644572 941538228 /nfs/dbraw/zinc/53/82/28/941538228.db2.gz PVXMIGNELCDOOM-UHFFFAOYSA-N 2 0 370.541 3.720 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035065 941558693 /nfs/dbraw/zinc/55/86/93/941558693.db2.gz KKYWSPINNXHCGP-FZMZJTMJSA-N 2 0 366.328 3.790 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000415035068 941558745 /nfs/dbraw/zinc/55/87/45/941558745.db2.gz KKYWSPINNXHCGP-SMDDNHRTSA-N 2 0 366.328 3.790 20 0 FHADRP CCOc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039685 941560100 /nfs/dbraw/zinc/56/01/00/941560100.db2.gz JMCBGBSTBZSULC-DOTOQJQBSA-N 2 0 352.906 3.711 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000415042915 941562374 /nfs/dbraw/zinc/56/23/74/941562374.db2.gz RLTODCHKJROTMB-TVQRCGJNSA-N 2 0 351.210 3.685 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000415045053 941568480 /nfs/dbraw/zinc/56/84/80/941568480.db2.gz SZCMGEBUKRJJLL-KDOFPFPSSA-N 2 0 357.885 3.809 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000415045999 941569178 /nfs/dbraw/zinc/56/91/78/941569178.db2.gz CEYRXXGUYXVRQQ-FCHUYYIVSA-N 2 0 354.494 3.814 20 0 FHADRP CC1(c2ccccc2)CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000415059262 941570953 /nfs/dbraw/zinc/57/09/53/941570953.db2.gz UYZTWSBMUPIUPM-UHFFFAOYSA-N 2 0 355.570 3.693 20 0 FHADRP c1ccc([C@@H]2CCCC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415057666 941570984 /nfs/dbraw/zinc/57/09/84/941570984.db2.gz RZLAFDANUOAQBD-NHIVGREZSA-N 2 0 355.570 3.909 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000549169826 941572432 /nfs/dbraw/zinc/57/24/32/941572432.db2.gz CQYCHSYWNFSNRD-CQSZACIVSA-N 2 0 365.315 3.545 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056573 941576090 /nfs/dbraw/zinc/57/60/90/941576090.db2.gz SKNQGOMKDQCUDS-FPOVZHCZSA-N 2 0 350.510 3.814 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415056957 941576593 /nfs/dbraw/zinc/57/65/93/941576593.db2.gz RKGPCTZHMFOQBL-OPAMFIHVSA-N 2 0 354.494 3.788 20 0 FHADRP Cc1ccccc1-c1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415060667 941579312 /nfs/dbraw/zinc/57/93/12/941579312.db2.gz XGTSJIWMGCVREB-UHFFFAOYSA-N 2 0 363.549 3.968 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000415068187 941583167 /nfs/dbraw/zinc/58/31/67/941583167.db2.gz QMZJKEBJCGULTR-HSZRJFAPSA-N 2 0 351.538 3.546 20 0 FHADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415076831 941587206 /nfs/dbraw/zinc/58/72/06/941587206.db2.gz BNOAMRZVLQMRTO-ZIAGYGMSSA-N 2 0 357.325 3.629 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415085256 941590582 /nfs/dbraw/zinc/59/05/82/941590582.db2.gz PSJUPRIFEIRVSD-OWCLPIDISA-N 2 0 372.431 3.647 20 0 FHADRP [NH3+]CC1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000415082410 941592551 /nfs/dbraw/zinc/59/25/51/941592551.db2.gz OHHPVFXFDGUEEQ-UHFFFAOYSA-N 2 0 363.246 3.658 20 0 FHADRP Clc1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]CC3)CCOCC2)c(Cl)c1 ZINC000415087932 941597569 /nfs/dbraw/zinc/59/75/69/941597569.db2.gz LHNDHGBRMVIFKK-OAHLLOKOSA-N 2 0 357.325 3.773 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000415098919 941602812 /nfs/dbraw/zinc/60/28/12/941602812.db2.gz GDAAYVXPNHNKBL-OKZBNKHCSA-N 2 0 363.343 3.991 20 0 FHADRP CC[C@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415125837 941615870 /nfs/dbraw/zinc/61/58/70/941615870.db2.gz FNIIILKSEWVUAJ-OAQYLSRUSA-N 2 0 351.538 3.763 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)sc1Br ZINC000415119934 941617250 /nfs/dbraw/zinc/61/72/50/941617250.db2.gz FWGZAINFONLPFB-ZFWWWQNUSA-N 2 0 373.360 3.537 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000415119941 941617332 /nfs/dbraw/zinc/61/73/32/941617332.db2.gz FNUKTJDPAFZCHC-NVXWUHKLSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000415122370 941617845 /nfs/dbraw/zinc/61/78/45/941617845.db2.gz IFIFRKOHKXTEAF-IRLDBZIGSA-N 2 0 358.526 3.726 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122715 941619639 /nfs/dbraw/zinc/61/96/39/941619639.db2.gz KLOSLIIRJPURGL-IERDGZPVSA-N 2 0 358.457 3.804 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134860 941621882 /nfs/dbraw/zinc/62/18/82/941621882.db2.gz WHBPJZWFZRAFEH-QFBILLFUSA-N 2 0 372.484 3.830 20 0 FHADRP CCCCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415131128 941624180 /nfs/dbraw/zinc/62/41/80/941624180.db2.gz SBWPAAWBFHDNJA-QGZVFWFLSA-N 2 0 367.497 3.663 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc2c1 ZINC000415131971 941625179 /nfs/dbraw/zinc/62/51/79/941625179.db2.gz SWHFLAQHHHHDHC-VXKWHMMOSA-N 2 0 354.494 3.567 20 0 FHADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958685 941716346 /nfs/dbraw/zinc/71/63/46/941716346.db2.gz IZECRZQJFFOQPA-QFIPXVFZSA-N 2 0 355.570 3.895 20 0 FHADRP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000729330071 941720319 /nfs/dbraw/zinc/72/03/19/941720319.db2.gz ICAZSSCAGLIUAL-RBBKRZOGSA-N 2 0 371.569 3.937 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[C@H](C)[C@H]3C[NH3+])c2)CC1 ZINC000415390370 941794540 /nfs/dbraw/zinc/79/45/40/941794540.db2.gz KERJKPVZCLQDPO-GHTZIAJQSA-N 2 0 372.557 3.552 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000430009509 941805884 /nfs/dbraw/zinc/80/58/84/941805884.db2.gz YYTCCFQMDKCLQN-INIZCTEOSA-N 2 0 351.485 3.742 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4F)s3)C2)CC1 ZINC000093132653 941813502 /nfs/dbraw/zinc/81/35/02/941813502.db2.gz VPRBYQNFGITLTC-KRWDZBQOSA-N 2 0 373.541 3.766 20 0 FHADRP O=C(CC[NH2+]Cc1ccccc1C[NH+]1CCCC1)Nc1ccccc1F ZINC000644513616 941819867 /nfs/dbraw/zinc/81/98/67/941819867.db2.gz FHYBOJZOUMPXDC-UHFFFAOYSA-N 2 0 355.457 3.540 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn2ccnc2s1 ZINC000893019907 941895172 /nfs/dbraw/zinc/89/51/72/941895172.db2.gz WTRRUDFFXKTSCJ-UHFFFAOYSA-N 2 0 366.490 3.911 20 0 FHADRP C[N@H+](Cc1ccc(Br)o1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377688654 941903496 /nfs/dbraw/zinc/90/34/96/941903496.db2.gz CRJAROWSUMCIIY-UHFFFAOYSA-N 2 0 350.260 3.538 20 0 FHADRP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713494 941919415 /nfs/dbraw/zinc/91/94/15/941919415.db2.gz XXLGIBGDJCZXOA-GOSISDBHSA-N 2 0 350.466 3.925 20 0 FHADRP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000377720454 941934404 /nfs/dbraw/zinc/93/44/04/941934404.db2.gz NIMDGCQRBBQMFE-MRXNPFEDSA-N 2 0 358.461 3.639 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133210 941943502 /nfs/dbraw/zinc/94/35/02/941943502.db2.gz JWYIBQVNLDZGRF-HXUWFJFHSA-N 2 0 369.578 3.935 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)CC1 ZINC000093133408 941950204 /nfs/dbraw/zinc/95/02/04/941950204.db2.gz CDCMMGFTEVHXFD-LJQANCHMSA-N 2 0 373.541 3.766 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000513499373 941972613 /nfs/dbraw/zinc/97/26/13/941972613.db2.gz GBKNASJAJAEKCC-QFIPXVFZSA-N 2 0 367.537 3.870 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@@H+]1Cc1ccccc1 ZINC000513502463 941974302 /nfs/dbraw/zinc/97/43/02/941974302.db2.gz ZYZYHUDIJWSVJN-IEBWSBKVSA-N 2 0 352.478 3.806 20 0 FHADRP Cc1ccc(-c2ccc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)o2)cc1 ZINC000513536366 942003243 /nfs/dbraw/zinc/00/32/43/942003243.db2.gz JDPAIWFJMNCRIU-GOSISDBHSA-N 2 0 356.510 3.780 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513545354 942005196 /nfs/dbraw/zinc/00/51/96/942005196.db2.gz PVBQHVWRMGQNQD-WIYYLYMNSA-N 2 0 366.505 3.848 20 0 FHADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513661848 942071051 /nfs/dbraw/zinc/07/10/51/942071051.db2.gz RERAOVSYPHUGDG-PWRODBHTSA-N 2 0 371.569 3.572 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000415900483 942119315 /nfs/dbraw/zinc/11/93/15/942119315.db2.gz ANHTZTHYNPKZPV-HXUWFJFHSA-N 2 0 372.557 3.916 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000415900481 942119629 /nfs/dbraw/zinc/11/96/29/942119629.db2.gz ANHTZTHYNPKZPV-FQEVSTJZSA-N 2 0 372.557 3.916 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000415902064 942120924 /nfs/dbraw/zinc/12/09/24/942120924.db2.gz CIIRRMBGWFKBKZ-HXUWFJFHSA-N 2 0 372.557 3.772 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000415897167 942123769 /nfs/dbraw/zinc/12/37/69/942123769.db2.gz FFVODAIMWRSYNW-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000415904272 942130845 /nfs/dbraw/zinc/13/08/45/942130845.db2.gz AHKWFLGJCZQUPE-UHFFFAOYSA-N 2 0 366.509 3.536 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000415913822 942136562 /nfs/dbraw/zinc/13/65/62/942136562.db2.gz RRYCNQPDGCZHNC-GOSISDBHSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000415914377 942137606 /nfs/dbraw/zinc/13/76/06/942137606.db2.gz ADXQOGPEEDHTJV-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415912477 942146224 /nfs/dbraw/zinc/14/62/24/942146224.db2.gz LLMQBWWZSKLUCC-FXAWDEMLSA-N 2 0 366.509 3.581 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000415912938 942147026 /nfs/dbraw/zinc/14/70/26/942147026.db2.gz NQPAMGXKLHWAEN-MRXNPFEDSA-N 2 0 354.498 3.657 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000415923498 942153015 /nfs/dbraw/zinc/15/30/15/942153015.db2.gz VGTULYMVULCRFE-OXQOHEQNSA-N 2 0 354.498 3.609 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415934764 942161606 /nfs/dbraw/zinc/16/16/06/942161606.db2.gz QPLZYIRSUGATEI-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415935247 942162107 /nfs/dbraw/zinc/16/21/07/942162107.db2.gz RHOCVCJTHVESMH-UWJYYQICSA-N 2 0 366.509 3.753 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415935241 942162315 /nfs/dbraw/zinc/16/23/15/942162315.db2.gz RHOCVCJTHVESMH-UTKZUKDTSA-N 2 0 366.509 3.753 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415928543 942164651 /nfs/dbraw/zinc/16/46/51/942164651.db2.gz FTRZMHFKFZDLGP-DYESRHJHSA-N 2 0 368.525 3.917 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000415928901 942165213 /nfs/dbraw/zinc/16/52/13/942165213.db2.gz GVOXQIUQASBTET-LAUBAEHRSA-N 2 0 368.525 3.917 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000415929888 942165828 /nfs/dbraw/zinc/16/58/28/942165828.db2.gz YZOQQBAUFDYECN-QFIPXVFZSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000415936852 942168606 /nfs/dbraw/zinc/16/86/06/942168606.db2.gz XCMHEJJXDIMFHJ-IBGZPJMESA-N 2 0 358.530 3.715 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000415938179 942169316 /nfs/dbraw/zinc/16/93/16/942169316.db2.gz AKDMLJFCVUHDGI-IBGZPJMESA-N 2 0 372.557 3.772 20 0 FHADRP Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414469812 942185996 /nfs/dbraw/zinc/18/59/96/942185996.db2.gz NACZDFMONPLMKS-QFIPXVFZSA-N 2 0 364.537 3.908 20 0 FHADRP CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000415963944 942203441 /nfs/dbraw/zinc/20/34/41/942203441.db2.gz VLQVGGJWVBRKRR-UHFFFAOYSA-N 2 0 366.509 3.699 20 0 FHADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972424 942217166 /nfs/dbraw/zinc/21/71/66/942217166.db2.gz OPLCCQJSZCWJPV-CHWSQXEVSA-N 2 0 372.435 3.549 20 0 FHADRP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415983075 942222420 /nfs/dbraw/zinc/22/24/20/942222420.db2.gz YXCCBDBKUJYLJJ-LAUBAEHRSA-N 2 0 366.509 3.662 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415981002 942224933 /nfs/dbraw/zinc/22/49/33/942224933.db2.gz UJHPVKKDOGOJFT-QGZVFWFLSA-N 2 0 366.509 3.841 20 0 FHADRP C[C@H]1C[C@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000415981059 942224988 /nfs/dbraw/zinc/22/49/88/942224988.db2.gz UOTOMNUOWQZPBJ-PXNSSMCTSA-N 2 0 366.509 3.568 20 0 FHADRP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000415981090 942225262 /nfs/dbraw/zinc/22/52/62/942225262.db2.gz IHKOVJCZRMMVNI-NRFANRHFSA-N 2 0 366.509 3.534 20 0 FHADRP C[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500985165 942246328 /nfs/dbraw/zinc/24/63/28/942246328.db2.gz QQEXRIQSAJHZNX-MRXNPFEDSA-N 2 0 371.491 3.767 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000420931713 942260880 /nfs/dbraw/zinc/26/08/80/942260880.db2.gz GVLJAHINBJLQEM-VGOFRKELSA-N 2 0 371.956 3.951 20 0 FHADRP O[C@H]1C[C@@H](C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420973346 942285943 /nfs/dbraw/zinc/28/59/43/942285943.db2.gz NBDJHKCSJQUZJV-AKIFATBCSA-N 2 0 356.554 3.914 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000502272435 942324459 /nfs/dbraw/zinc/32/44/59/942324459.db2.gz HLRSXJKMXFFXRY-NRFANRHFSA-N 2 0 360.542 3.846 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)C[C@@H](C)O1 ZINC000502273550 942325090 /nfs/dbraw/zinc/32/50/90/942325090.db2.gz KXGVBSAAUVTGQM-WOIUINJBSA-N 2 0 372.553 3.735 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134953 942380082 /nfs/dbraw/zinc/38/00/82/942380082.db2.gz QBFWOCRZPKSZPW-BVYCBKJFSA-N 2 0 365.521 3.631 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(CNc3cc[nH+]c4cc(F)ccc34)cc2)C1 ZINC000664239934 942383259 /nfs/dbraw/zinc/38/32/59/942383259.db2.gz UDQXPJHXNRZFQG-GOSISDBHSA-N 2 0 351.425 3.553 20 0 FHADRP CCCC[C@@H](C[NH3+])NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414818830 942407833 /nfs/dbraw/zinc/40/78/33/942407833.db2.gz WTFMAOJXTSJKNY-KRWDZBQOSA-N 2 0 354.420 3.557 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501422684 942469505 /nfs/dbraw/zinc/46/95/05/942469505.db2.gz NVGSNUFTXMANOG-HJUDDPQBSA-N 2 0 369.475 3.724 20 0 FHADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccccc1 ZINC000414829637 942478876 /nfs/dbraw/zinc/47/88/76/942478876.db2.gz NVSDUDCMYPRNAL-YOFSQIOKSA-N 2 0 352.478 3.647 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000501473909 942492490 /nfs/dbraw/zinc/49/24/90/942492490.db2.gz DDSFQUFGNPUPQW-PEZBUJJGSA-N 2 0 369.475 3.724 20 0 FHADRP O=C(Nc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1)c1ccccc1Cl ZINC000414833204 942492875 /nfs/dbraw/zinc/49/28/75/942492875.db2.gz PKMBVJRPYLCAAR-OAHLLOKOSA-N 2 0 357.885 3.682 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000041800713 942522336 /nfs/dbraw/zinc/52/23/36/942522336.db2.gz JCJFXRMWZUAMHR-FQEVSTJZSA-N 2 0 369.509 3.688 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000501519962 942522535 /nfs/dbraw/zinc/52/25/35/942522535.db2.gz WAORQJOQKACVCN-RTBURBONSA-N 2 0 374.573 3.591 20 0 FHADRP COc1ccc(Cn2nc(C)c(C[NH2+]C3CCC([NH+](C)C)CC3)c2C)cc1 ZINC000421373340 942524684 /nfs/dbraw/zinc/52/46/84/942524684.db2.gz NPXPHMOTJAKFLR-UHFFFAOYSA-N 2 0 370.541 3.519 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374098 942526087 /nfs/dbraw/zinc/52/60/87/942526087.db2.gz NKNHUGOLKUHTBC-RPWUZVMVSA-N 2 0 369.597 3.989 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)CCc3ccccc3)CC2)CC1 ZINC000421375915 942526990 /nfs/dbraw/zinc/52/69/90/942526990.db2.gz PIPMIDOGJXRJOT-OAQYLSRUSA-N 2 0 357.586 3.747 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000416248299 942549701 /nfs/dbraw/zinc/54/97/01/942549701.db2.gz QRQNLJXSZMHJFM-SFTDATJTSA-N 2 0 351.494 3.867 20 0 FHADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCCCN3CC[NH+](CC)CC3)oc21 ZINC000181493048 942557279 /nfs/dbraw/zinc/55/72/79/942557279.db2.gz ZBTKXUMXUAEAHC-GOSISDBHSA-N 2 0 373.541 3.900 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@H]2CCCO2)c1 ZINC000513718167 942576771 /nfs/dbraw/zinc/57/67/71/942576771.db2.gz VZUKXCQREHOOGM-PLACYPQZSA-N 2 0 358.526 3.515 20 0 FHADRP Brc1ccc(-c2ncc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414842363 942576962 /nfs/dbraw/zinc/57/69/62/942576962.db2.gz ZBHYVQDOTCHJNL-LBPRGKRZSA-N 2 0 366.328 3.662 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414843930 942585971 /nfs/dbraw/zinc/58/59/71/942585971.db2.gz QRYSVKADCOPNIF-CYBMUJFWSA-N 2 0 352.404 3.575 20 0 FHADRP CCc1csc([C@@H]2CCC[N@H+](C[C@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323069 942608888 /nfs/dbraw/zinc/60/88/88/942608888.db2.gz TVMHGLYSKMLBLT-SJORKVTESA-N 2 0 359.539 3.636 20 0 FHADRP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299283 942610301 /nfs/dbraw/zinc/61/03/01/942610301.db2.gz IQDRXFVJICJMRT-CZUORRHYSA-N 2 0 353.304 3.594 20 0 FHADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420302293 942611343 /nfs/dbraw/zinc/61/13/43/942611343.db2.gz JNEKNXARHSDSAX-CYBMUJFWSA-N 2 0 358.313 3.644 20 0 FHADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420311742 942614956 /nfs/dbraw/zinc/61/49/56/942614956.db2.gz RJWWBFKMRNGWBU-KFKAGJAMSA-N 2 0 356.901 3.665 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000420315685 942617977 /nfs/dbraw/zinc/61/79/77/942617977.db2.gz XFAUQHWIVKJJSI-GDBMZVCRSA-N 2 0 351.450 3.673 20 0 FHADRP Cc1ccccc1OCCCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420314827 942618369 /nfs/dbraw/zinc/61/83/69/942618369.db2.gz QWKRHICFGBVZCR-NRFANRHFSA-N 2 0 353.510 3.803 20 0 FHADRP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)c1cc2ccccc2o1 ZINC000420316113 942618941 /nfs/dbraw/zinc/61/89/41/942618941.db2.gz MLMAESZIBQLHPG-UXPWSPDFSA-N 2 0 352.478 3.747 20 0 FHADRP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)c1cc2ccccc2o1 ZINC000420316116 942619149 /nfs/dbraw/zinc/61/91/49/942619149.db2.gz MLMAESZIBQLHPG-VDGAXYAQSA-N 2 0 352.478 3.747 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320346 942620648 /nfs/dbraw/zinc/62/06/48/942620648.db2.gz BIZLDAOENQGXQP-UAGQMJEPSA-N 2 0 358.461 3.567 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320344 942621387 /nfs/dbraw/zinc/62/13/87/942621387.db2.gz BIZLDAOENQGXQP-BHYGNILZSA-N 2 0 358.461 3.567 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341928 942625093 /nfs/dbraw/zinc/62/50/93/942625093.db2.gz OXHUDPOQCSXPRV-FXAWDEMLSA-N 2 0 357.542 3.909 20 0 FHADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345666 942626716 /nfs/dbraw/zinc/62/67/16/942626716.db2.gz WHPYORIRGWLVTF-WOJBJXKFSA-N 2 0 363.505 3.614 20 0 FHADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420345659 942626755 /nfs/dbraw/zinc/62/67/55/942626755.db2.gz WHPYORIRGWLVTF-PMACEKPBSA-N 2 0 363.505 3.614 20 0 FHADRP OC1(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000414528279 942632586 /nfs/dbraw/zinc/63/25/86/942632586.db2.gz SZAOVLOCZRKCPU-QPJJXVBHSA-N 2 0 372.459 3.595 20 0 FHADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365395 942640635 /nfs/dbraw/zinc/64/06/35/942640635.db2.gz SAKQIQXBJJJHOY-MAUKXSAKSA-N 2 0 359.539 3.766 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367897 942642393 /nfs/dbraw/zinc/64/23/93/942642393.db2.gz AIMFXHXUQUXQML-BVGQSLNGSA-N 2 0 367.331 3.728 20 0 FHADRP Cc1cc(OCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C(C)C ZINC000420380763 942647271 /nfs/dbraw/zinc/64/72/71/942647271.db2.gz CEPURMNDAVFQTP-KNQAVFIVSA-N 2 0 360.542 3.716 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)C1 ZINC000420384807 942649126 /nfs/dbraw/zinc/64/91/26/942649126.db2.gz GVIHOLMJTQZKAA-PBHICJAKSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398453 942655159 /nfs/dbraw/zinc/65/51/59/942655159.db2.gz YSTUPMZEJQQUHK-CRAIPNDOSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420375718 942655882 /nfs/dbraw/zinc/65/58/82/942655882.db2.gz JILAVHPKCZVQSZ-FSPWUOQZSA-N 2 0 372.431 3.865 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420413880 942656883 /nfs/dbraw/zinc/65/68/83/942656883.db2.gz TYHSXQQGSVWBKE-UIAACRFSSA-N 2 0 367.940 3.982 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420413883 942656930 /nfs/dbraw/zinc/65/69/30/942656930.db2.gz TYHSXQQGSVWBKE-XPGWFJOJSA-N 2 0 367.940 3.982 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420418587 942658688 /nfs/dbraw/zinc/65/86/88/942658688.db2.gz WYYMWBCTNAOOQR-MDASCCDHSA-N 2 0 353.913 3.592 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cnn(C2CCCC2)c1 ZINC000502684856 942659725 /nfs/dbraw/zinc/65/97/25/942659725.db2.gz HWRXKQRDJBQKAF-KRWDZBQOSA-N 2 0 356.514 3.789 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405572 942662893 /nfs/dbraw/zinc/66/28/93/942662893.db2.gz TYOAIQHPKYIMKS-IRLDBZIGSA-N 2 0 363.505 3.903 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000501796316 942681600 /nfs/dbraw/zinc/68/16/00/942681600.db2.gz PZHVSBGULDMHQC-UHFFFAOYSA-N 2 0 373.585 3.868 20 0 FHADRP C[NH+](C)Cc1cc(-c2noc(C3C[NH+](C4CCCCC4)C3)n2)ccc1F ZINC000420486924 942690602 /nfs/dbraw/zinc/69/06/02/942690602.db2.gz OVUVSFIHQSAUCJ-UHFFFAOYSA-N 2 0 358.461 3.669 20 0 FHADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000378399274 942719006 /nfs/dbraw/zinc/71/90/06/942719006.db2.gz FHMDIDSALQVZLY-UZLBHIALSA-N 2 0 370.493 3.810 20 0 FHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000182376590 942726552 /nfs/dbraw/zinc/72/65/52/942726552.db2.gz CGGFZPPAMJULNY-MSOLQXFVSA-N 3 0 359.558 3.672 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414541234 942728347 /nfs/dbraw/zinc/72/83/47/942728347.db2.gz CFVSRGDPJHEYIV-QFIPXVFZSA-N 2 0 374.488 3.929 20 0 FHADRP COC(=O)c1csc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000514094241 942744294 /nfs/dbraw/zinc/74/42/94/942744294.db2.gz MQXLHMUIZCOQRK-OWCLPIDISA-N 2 0 352.544 3.943 20 0 FHADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414847500 942763982 /nfs/dbraw/zinc/76/39/82/942763982.db2.gz VWUBWEASRQHGBQ-MRXNPFEDSA-N 2 0 354.523 3.605 20 0 FHADRP OC1(C[NH2+]Cc2cc3cc(F)ccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000414548844 942773856 /nfs/dbraw/zinc/77/38/56/942773856.db2.gz KXDGXMSCWHRZOB-UHFFFAOYSA-N 2 0 368.452 3.689 20 0 FHADRP Clc1ccc(OCc2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414847669 942774653 /nfs/dbraw/zinc/77/46/53/942774653.db2.gz WDRALVXZISILIH-CQSZACIVSA-N 2 0 365.930 3.855 20 0 FHADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000544227202 942781582 /nfs/dbraw/zinc/78/15/82/942781582.db2.gz DHLPGFIOTKKSEJ-LJQANCHMSA-N 2 0 367.537 3.779 20 0 FHADRP CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552026 942816854 /nfs/dbraw/zinc/81/68/54/942816854.db2.gz GGJIENMOYOQYAD-GHTZIAJQSA-N 2 0 371.569 3.690 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000421843034 942855738 /nfs/dbraw/zinc/85/57/38/942855738.db2.gz MBIGPZZDUKAPJY-JSNMRZPZSA-N 2 0 368.924 3.768 20 0 FHADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000421877548 942861923 /nfs/dbraw/zinc/86/19/23/942861923.db2.gz LXTSTPHXVHRNCA-QETWGEEDSA-N 2 0 353.510 3.836 20 0 FHADRP c1ccc(COCCOCCC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000378540775 942872678 /nfs/dbraw/zinc/87/26/78/942872678.db2.gz CWGYRYOXVNUQDL-UHFFFAOYSA-N 2 0 360.542 3.607 20 0 FHADRP C[N@H+](CCCNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1)C1CCCCC1 ZINC000425147843 942874325 /nfs/dbraw/zinc/87/43/25/942874325.db2.gz RTLXZROYYWFPLX-FQEVSTJZSA-N 2 0 368.525 3.703 20 0 FHADRP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000502960370 942877362 /nfs/dbraw/zinc/87/73/62/942877362.db2.gz NVSKEYHKQAPBPM-QYZOEREBSA-N 2 0 374.573 3.678 20 0 FHADRP C[C@@H]([NH2+]C1(CO)C2CC3CC(C2)CC1C3)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414559185 942882723 /nfs/dbraw/zinc/88/27/23/942882723.db2.gz PHGVHSRUHBDCQT-RKWZGBHDSA-N 2 0 368.565 3.674 20 0 FHADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000503004323 942905766 /nfs/dbraw/zinc/90/57/66/942905766.db2.gz JAGUDDSMKBSPGV-HOTGVXAUSA-N 2 0 369.347 3.737 20 0 FHADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000430115950 942928700 /nfs/dbraw/zinc/92/87/00/942928700.db2.gz HDKLWEYTKJVOAH-KCZVDYSFSA-N 2 0 357.586 3.807 20 0 FHADRP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000894301680 942970801 /nfs/dbraw/zinc/97/08/01/942970801.db2.gz PFHWUTXJLTXBLC-UHFFFAOYSA-N 2 0 370.541 3.844 20 0 FHADRP OCCC[C@@H]([NH2+]CCC[NH2+][C@H](CCCO)c1ccccc1)c1ccccc1 ZINC000271775438 943048110 /nfs/dbraw/zinc/04/81/10/943048110.db2.gz KRIDJLYEOQYMLM-DHIUTWEWSA-N 2 0 370.537 3.583 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000503220809 943064491 /nfs/dbraw/zinc/06/44/91/943064491.db2.gz IXDUYIZCYVZYEK-WOJBJXKFSA-N 2 0 365.606 3.761 20 0 FHADRP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272381938 943146516 /nfs/dbraw/zinc/14/65/16/943146516.db2.gz BZCQXFGIUIVYBF-LAUBAEHRSA-N 2 0 351.494 3.645 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000416830748 943159924 /nfs/dbraw/zinc/15/99/24/943159924.db2.gz ALDYNNBXFURQQR-DYESRHJHSA-N 2 0 368.525 3.589 20 0 FHADRP C[NH+]1CCC(CC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC1 ZINC001207479929 943166022 /nfs/dbraw/zinc/16/60/22/943166022.db2.gz PNFDJVAMENRUEM-UHFFFAOYSA-N 2 0 356.341 3.847 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674906 943199628 /nfs/dbraw/zinc/19/96/28/943199628.db2.gz SJPYTFYPDHVPQZ-BEVDRBHNSA-N 2 0 358.917 3.702 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSc1cccc(Cl)c1 ZINC000660115997 943209316 /nfs/dbraw/zinc/20/93/16/943209316.db2.gz GCDDGQOIFPHHLS-BPQIPLTHSA-N 2 0 354.947 3.616 20 0 FHADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000514687643 943216269 /nfs/dbraw/zinc/21/62/69/943216269.db2.gz UDQSCVDDHPUBHV-CHWSQXEVSA-N 2 0 368.294 3.950 20 0 FHADRP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000584584757 943227082 /nfs/dbraw/zinc/22/70/82/943227082.db2.gz OYMJHLMSWKZJCB-QGZVFWFLSA-N 2 0 352.482 3.564 20 0 FHADRP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697995 943236315 /nfs/dbraw/zinc/23/63/15/943236315.db2.gz XDPDWRJRDHJDQH-GGAORHGYSA-N 2 0 366.505 3.959 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cc(Br)ccc1F ZINC000422700440 943237770 /nfs/dbraw/zinc/23/77/70/943237770.db2.gz HCCWEJOJBMGLOU-UGSOOPFHSA-N 2 0 365.290 3.679 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cc(Br)ccc1F ZINC000422700439 943237993 /nfs/dbraw/zinc/23/79/93/943237993.db2.gz HCCWEJOJBMGLOU-SCLBCKFNSA-N 2 0 365.290 3.679 20 0 FHADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000422701783 943238514 /nfs/dbraw/zinc/23/85/14/943238514.db2.gz CMRRMHRPIDIFCP-SIKLNZKXSA-N 2 0 354.469 3.949 20 0 FHADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422706259 943241249 /nfs/dbraw/zinc/24/12/49/943241249.db2.gz UBXBSCDXLPDLIH-USXIJHARSA-N 2 0 355.295 3.641 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(Br)s1 ZINC000422712913 943244888 /nfs/dbraw/zinc/24/48/88/943244888.db2.gz IWTKDLMLNUZLSH-JTQLQIEISA-N 2 0 354.317 3.566 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000422713427 943253969 /nfs/dbraw/zinc/25/39/69/943253969.db2.gz PQVYNENRFZHDLA-OAHLLOKOSA-N 2 0 366.933 3.529 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)nc1 ZINC000422724113 943259222 /nfs/dbraw/zinc/25/92/22/943259222.db2.gz UNNSAZGBWSVFHC-FDFHNCONSA-N 2 0 351.494 3.671 20 0 FHADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422759091 943262660 /nfs/dbraw/zinc/26/26/60/943262660.db2.gz KGLXFYJGYPTXQA-DENIHFKCSA-N 2 0 354.469 3.949 20 0 FHADRP C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757796 943262697 /nfs/dbraw/zinc/26/26/97/943262697.db2.gz IYZXRTXOKMVNOL-WQCNXYOZSA-N 2 0 369.475 3.818 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422743963 943268096 /nfs/dbraw/zinc/26/80/96/943268096.db2.gz JHWYMOGVSVGNFB-SFYKDHMMSA-N 2 0 351.538 3.760 20 0 FHADRP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422743994 943268845 /nfs/dbraw/zinc/26/88/45/943268845.db2.gz JMRPBDRSCKZTTF-DWLFOUALSA-N 2 0 351.494 3.933 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1O ZINC000093006797 943270152 /nfs/dbraw/zinc/27/01/52/943270152.db2.gz IHFGUNYRVPKKQN-UHFFFAOYSA-N 2 0 354.494 3.745 20 0 FHADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(Br)c1 ZINC000422750833 943271115 /nfs/dbraw/zinc/27/11/15/943271115.db2.gz DPRUQXXAOYDXFY-DTWYCDNDSA-N 2 0 351.332 3.890 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000416983239 943274529 /nfs/dbraw/zinc/27/45/29/943274529.db2.gz NGMNNLWUDBKZAX-KRWDZBQOSA-N 2 0 368.525 3.548 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422771042 943276904 /nfs/dbraw/zinc/27/69/04/943276904.db2.gz XKTAQUIBABYEER-QHAWAJNXSA-N 2 0 360.517 3.774 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776042 943278148 /nfs/dbraw/zinc/27/81/48/943278148.db2.gz BZBIZHJOZSCLME-FUDKSRODSA-N 2 0 364.489 3.918 20 0 FHADRP c1ccc2nc(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422776047 943278604 /nfs/dbraw/zinc/27/86/04/943278604.db2.gz CABLRRYQLGCLPB-GGAORHGYSA-N 2 0 359.473 3.623 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])c2ccc(OC)cc2)cc1 ZINC000422775061 943278611 /nfs/dbraw/zinc/27/86/11/943278611.db2.gz ZSINUZNWADAYQW-COPCDDAFSA-N 2 0 354.494 3.705 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000422776085 943278964 /nfs/dbraw/zinc/27/89/64/943278964.db2.gz CEKFSGAISUHETL-QWHCGFSZSA-N 2 0 373.324 3.965 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1COc1ccccc1Cl ZINC000422775707 943278998 /nfs/dbraw/zinc/27/89/98/943278998.db2.gz BIJITLSDLSZPDZ-QSFXBCCZSA-N 2 0 374.912 3.761 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781538 943280856 /nfs/dbraw/zinc/28/08/56/943280856.db2.gz FFVIDRUALBUZHC-VBKZILBWSA-N 2 0 360.885 3.918 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764318 943284812 /nfs/dbraw/zinc/28/48/12/943284812.db2.gz PWNHAOKXVUMNDT-DNUAJFIVSA-N 3 0 357.464 3.804 20 0 FHADRP CCOCc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810012 943290988 /nfs/dbraw/zinc/29/09/88/943290988.db2.gz QSOIRWRCJOSPAF-UNMCSNQZSA-N 2 0 352.478 3.569 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422812610 943292785 /nfs/dbraw/zinc/29/27/85/943292785.db2.gz XXIXXJLCEDEACI-GNSUPJDDSA-N 2 0 365.477 3.552 20 0 FHADRP CCN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422789336 943293135 /nfs/dbraw/zinc/29/31/35/943293135.db2.gz ODTAVIFOKDYPFA-MTNREXPMSA-N 2 0 353.510 3.687 20 0 FHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000422790709 943293853 /nfs/dbraw/zinc/29/38/53/943293853.db2.gz PQULXGOUVGNUEK-RJGXRXQPSA-N 2 0 366.505 3.609 20 0 FHADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422791458 943294053 /nfs/dbraw/zinc/29/40/53/943294053.db2.gz YNFRPRCTXIATGO-NBCNXNJRSA-N 2 0 352.478 3.992 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000422792560 943294712 /nfs/dbraw/zinc/29/47/12/943294712.db2.gz ZLROJAZPDYXCNN-JXFKEZNVSA-N 2 0 362.901 3.782 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000422792562 943295038 /nfs/dbraw/zinc/29/50/38/943295038.db2.gz ZLROJAZPDYXCNN-OXQOHEQNSA-N 2 0 362.901 3.782 20 0 FHADRP COc1ccc([C@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422824152 943296674 /nfs/dbraw/zinc/29/66/74/943296674.db2.gz NECOCMIFOKQBIK-PKTZIBPZSA-N 2 0 371.569 3.875 20 0 FHADRP Clc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422828898 943298081 /nfs/dbraw/zinc/29/80/81/943298081.db2.gz UDVRZDLDCSNPJD-BPQIPLTHSA-N 2 0 357.325 3.673 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422832191 943299025 /nfs/dbraw/zinc/29/90/25/943299025.db2.gz KPGABBQVJWFPPQ-VWPQPMDRSA-N 2 0 351.494 3.667 20 0 FHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000422832755 943299847 /nfs/dbraw/zinc/29/98/47/943299847.db2.gz VOFSKAXMJFYJOB-NJDAHSKKSA-N 3 0 361.599 3.861 20 0 FHADRP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696288 943300315 /nfs/dbraw/zinc/30/03/15/943300315.db2.gz HDVXNAQLYKIQBC-RBUKOAKNSA-N 2 0 365.521 3.544 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422818661 943303606 /nfs/dbraw/zinc/30/36/06/943303606.db2.gz GVBMVHAHAPJXSZ-PBHICJAKSA-N 2 0 352.906 3.702 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000422847596 943304098 /nfs/dbraw/zinc/30/40/98/943304098.db2.gz ILHQMMANGNXEMO-IPJJNNNSSA-N 2 0 350.462 3.746 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417038793 943305079 /nfs/dbraw/zinc/30/50/79/943305079.db2.gz JENHSUWXDGSXKJ-SFHLNBCPSA-N 2 0 374.573 3.524 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854213 943306373 /nfs/dbraw/zinc/30/63/73/943306373.db2.gz ZWBXPALGGWNVDZ-XPWALMASSA-N 2 0 355.570 3.594 20 0 FHADRP c1ccc(Oc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422857438 943307961 /nfs/dbraw/zinc/30/79/61/943307961.db2.gz HPWVCCIQWPPIIP-BHDDXSALSA-N 2 0 352.478 3.726 20 0 FHADRP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422860778 943308585 /nfs/dbraw/zinc/30/85/85/943308585.db2.gz NAFJPXZDZQBHDZ-BHIFYINESA-N 2 0 352.478 3.726 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000422862615 943309220 /nfs/dbraw/zinc/30/92/20/943309220.db2.gz NTTQKZGJAUXNJZ-MSOLQXFVSA-N 3 0 366.553 3.931 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422860636 943309654 /nfs/dbraw/zinc/30/96/54/943309654.db2.gz ILYQJGXVRQWCIT-IXDOHACOSA-N 2 0 356.432 3.946 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422867559 943311613 /nfs/dbraw/zinc/31/16/13/943311613.db2.gz SHPSJTZSJCGXOL-YOEHRIQHSA-N 2 0 352.906 3.702 20 0 FHADRP CC[C@H](C)[C@H]([NH2+][C@@H](C)CCC[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422883125 943316363 /nfs/dbraw/zinc/31/63/63/943316363.db2.gz BPZRDYCTVWZDTE-IPJJNNNSSA-N 2 0 373.585 3.599 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883288 943316449 /nfs/dbraw/zinc/31/64/49/943316449.db2.gz UPWVULBJPRCQOY-OSRSDYAFSA-N 2 0 357.325 3.844 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883715 943317157 /nfs/dbraw/zinc/31/71/57/943317157.db2.gz VKUPPWLIDREZTA-FCHUYYIVSA-N 2 0 366.505 3.868 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422870490 943321191 /nfs/dbraw/zinc/32/11/91/943321191.db2.gz BXKYWLHJFJRQKE-LNRXMEIDSA-N 2 0 372.553 3.953 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000422873802 943322898 /nfs/dbraw/zinc/32/28/98/943322898.db2.gz BCLSOFLZZKXEAO-ROUUACIJSA-N 3 0 366.553 3.931 20 0 FHADRP c1ccc(OC2CCC2)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422910971 943328452 /nfs/dbraw/zinc/32/84/52/943328452.db2.gz JRHIHUHOCCCNGC-REWPJTCUSA-N 2 0 364.489 3.963 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCCC[NH2+]C1CC1)C1CCCCC1 ZINC000414704201 943332876 /nfs/dbraw/zinc/33/28/76/943332876.db2.gz CXUJUURNFWWZDF-UHFFFAOYSA-N 2 0 358.530 3.715 20 0 FHADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422925367 943333424 /nfs/dbraw/zinc/33/34/24/943333424.db2.gz BNOLUAZWMHEJPM-CGTJXYLNSA-N 2 0 364.917 3.554 20 0 FHADRP O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422929912 943335124 /nfs/dbraw/zinc/33/51/24/943335124.db2.gz AJZBHNNUPLLLQU-IPMKNSEASA-N 2 0 363.933 3.959 20 0 FHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422931085 943335670 /nfs/dbraw/zinc/33/56/70/943335670.db2.gz WXMNRYXGQZXPCJ-XPWALMASSA-N 2 0 350.506 3.909 20 0 FHADRP COc1ccc(C2([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422933928 943336504 /nfs/dbraw/zinc/33/65/04/943336504.db2.gz IWTBFIFKZLNTLH-FPOVZHCZSA-N 2 0 350.462 3.530 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422934590 943337113 /nfs/dbraw/zinc/33/71/13/943337113.db2.gz CRAWKAALURAXNV-REDKUUPNSA-N 2 0 368.477 3.610 20 0 FHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000422935629 943337467 /nfs/dbraw/zinc/33/74/67/943337467.db2.gz LFVXXWDMYCRPJK-KBRIMQKVSA-N 2 0 355.295 3.641 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000422937024 943337789 /nfs/dbraw/zinc/33/77/89/943337789.db2.gz IZAIREYQRQAUSX-UZUQRXQVSA-N 2 0 366.553 3.582 20 0 FHADRP COc1ccc([C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422944129 943342179 /nfs/dbraw/zinc/34/21/79/943342179.db2.gz RRPWJTHQHJXDJN-WWNPGLIZSA-N 2 0 364.489 3.992 20 0 FHADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422963339 943342281 /nfs/dbraw/zinc/34/22/81/943342281.db2.gz FSWKCLJEDGWFNK-RJGXRXQPSA-N 2 0 372.553 3.783 20 0 FHADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)[C@H](C)C[NH2+]1 ZINC000414707452 943343517 /nfs/dbraw/zinc/34/35/17/943343517.db2.gz HYWGIIMEPVEKLH-IAGOWNOFSA-N 2 0 358.530 3.665 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422949447 943346071 /nfs/dbraw/zinc/34/60/71/943346071.db2.gz UFTZVJPBHLFMFH-TWVWUCKLSA-N 2 0 350.506 3.627 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[NH+](C(C)C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000503707300 943347522 /nfs/dbraw/zinc/34/75/22/943347522.db2.gz ICKMKVSQULHJNL-LJQANCHMSA-N 2 0 374.573 3.632 20 0 FHADRP Fc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422956316 943348754 /nfs/dbraw/zinc/34/87/54/943348754.db2.gz PGWZOTNOEFZQBV-ICSRJNTNSA-N 2 0 360.860 3.867 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422955766 943349373 /nfs/dbraw/zinc/34/93/73/943349373.db2.gz NKEKSRQAZMECQV-UTKZUKDTSA-N 2 0 355.551 3.606 20 0 FHADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000422957747 943350158 /nfs/dbraw/zinc/35/01/58/943350158.db2.gz VLFLILOMLMBVFB-ROUUACIJSA-N 2 0 350.491 3.872 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435375908 943357140 /nfs/dbraw/zinc/35/71/40/943357140.db2.gz OVBKYJSNRNQGRM-AWEZNQCLSA-N 2 0 366.431 3.509 20 0 FHADRP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000422979838 943357289 /nfs/dbraw/zinc/35/72/89/943357289.db2.gz KMJDRERBEWERDL-RJGXRXQPSA-N 2 0 371.569 3.614 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Nc1ccccc1 ZINC000422978715 943357396 /nfs/dbraw/zinc/35/73/96/943357396.db2.gz KHLFCWOAZUYYPK-FUDKSRODSA-N 2 0 365.521 3.969 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423009762 943363442 /nfs/dbraw/zinc/36/34/42/943363442.db2.gz DTWFNFWZKUAVMJ-PNHOKKKMSA-N 2 0 358.917 3.598 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423011180 943364298 /nfs/dbraw/zinc/36/42/98/943364298.db2.gz ANUWZLGZHNHHBK-RVSPLBMKSA-N 2 0 357.325 3.757 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423020972 943366929 /nfs/dbraw/zinc/36/69/29/943366929.db2.gz ARNUDDIBYOKZRX-KRWDZBQOSA-N 2 0 367.541 3.552 20 0 FHADRP CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000423021098 943366965 /nfs/dbraw/zinc/36/69/65/943366965.db2.gz DIICDBJJEZHEOT-LAUBAEHRSA-N 2 0 371.550 3.829 20 0 FHADRP CCC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)C1CC[NH2+]CC1 ZINC000435378076 943367479 /nfs/dbraw/zinc/36/74/79/943367479.db2.gz GZABUIOWTPEPNS-UHFFFAOYSA-N 2 0 359.539 3.995 20 0 FHADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022899 943369414 /nfs/dbraw/zinc/36/94/14/943369414.db2.gz IMYLTRKAPRGFRW-LLBUTXAOSA-N 2 0 353.913 3.592 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423027100 943370322 /nfs/dbraw/zinc/37/03/22/943370322.db2.gz CWZDDBNVKIVICJ-LIRRHRJNSA-N 2 0 370.368 3.936 20 0 FHADRP Fc1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000423028235 943370939 /nfs/dbraw/zinc/37/09/39/943370939.db2.gz SJWGINZVPYQZMZ-LLBUTXAOSA-N 2 0 351.897 3.568 20 0 FHADRP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCO2)cc1 ZINC000423056614 943377181 /nfs/dbraw/zinc/37/71/81/943377181.db2.gz YSKYNDOKMYCALW-WENLIBGGSA-N 2 0 364.489 3.752 20 0 FHADRP COc1ccc([C@@H](C)C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435394158 943380958 /nfs/dbraw/zinc/38/09/58/943380958.db2.gz MOCKYLLLRYTNKV-RXVVDRJESA-N 2 0 353.510 3.838 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423072221 943381990 /nfs/dbraw/zinc/38/19/90/943381990.db2.gz PLDSHMOHQKFIPX-KZNAEPCWSA-N 2 0 370.459 3.730 20 0 FHADRP Clc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000423072242 943382044 /nfs/dbraw/zinc/38/20/44/943382044.db2.gz PMGBWYCCQCTYHC-IUOOZAAYSA-N 2 0 354.325 3.835 20 0 FHADRP Clc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(Cl)c1 ZINC000423072243 943382179 /nfs/dbraw/zinc/38/21/79/943382179.db2.gz PMGBWYCCQCTYHC-QGPPMGRFSA-N 2 0 354.325 3.835 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071773 943382201 /nfs/dbraw/zinc/38/22/01/943382201.db2.gz OULGHYKGPCLNIW-RDTXWAMCSA-N 2 0 362.315 3.845 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000423051385 943383712 /nfs/dbraw/zinc/38/37/12/943383712.db2.gz NZBKFTRIOVITLO-HOTGVXAUSA-N 2 0 363.502 3.670 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423081810 943387718 /nfs/dbraw/zinc/38/77/18/943387718.db2.gz VPRLECJFRRSYDB-LBPRGKRZSA-N 2 0 350.812 3.691 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cl)cc1I ZINC000423083798 943387949 /nfs/dbraw/zinc/38/79/49/943387949.db2.gz HAKJOHGOMHXYMV-JTQLQIEISA-N 2 0 366.674 3.552 20 0 FHADRP CSCc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423100476 943393725 /nfs/dbraw/zinc/39/37/25/943393725.db2.gz BTWXHLLROSYVMU-TZIWHRDSSA-N 2 0 354.519 3.895 20 0 FHADRP C[C@@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000423075603 943395164 /nfs/dbraw/zinc/39/51/64/943395164.db2.gz OXVXTSPELZOLJL-NYSBEXSLSA-N 2 0 372.896 3.953 20 0 FHADRP C[NH2+]CC1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000414718711 943395696 /nfs/dbraw/zinc/39/56/96/943395696.db2.gz WOPGPQYMQNOEGD-UHFFFAOYSA-N 2 0 372.557 3.914 20 0 FHADRP CCn1ccnc1C[N@H+](C[C@H](C)Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433255 943396966 /nfs/dbraw/zinc/39/69/66/943396966.db2.gz MZONXZCELNCORC-TZIWHRDSSA-N 2 0 366.553 3.726 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1OCCc2sccc21 ZINC000423125063 943398298 /nfs/dbraw/zinc/39/82/98/943398298.db2.gz HHEBHYNCYLSWDH-XVSRIUFKSA-N 2 0 370.518 3.596 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000423125061 943398710 /nfs/dbraw/zinc/39/87/10/943398710.db2.gz HHEBHYNCYLSWDH-QUUBWDHISA-N 2 0 370.518 3.596 20 0 FHADRP COc1cccc(C2(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000423127442 943399038 /nfs/dbraw/zinc/39/90/38/943399038.db2.gz TVYMELBGSNWCGB-REWPJTCUSA-N 2 0 364.489 3.572 20 0 FHADRP C[C@@H](CCc1ccccc1)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420369 943400642 /nfs/dbraw/zinc/40/06/42/943400642.db2.gz BUNGCGSYCMFKOC-PZJWPPBQSA-N 2 0 366.553 3.633 20 0 FHADRP CN(CCC(F)(F)F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423106758 943403003 /nfs/dbraw/zinc/40/30/03/943403003.db2.gz PDCKHEMEHSIGEP-ARFHVFGLSA-N 2 0 363.855 3.735 20 0 FHADRP CCc1nc2cc(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)ccc2n1C1CC1 ZINC000423109494 943403662 /nfs/dbraw/zinc/40/36/62/943403662.db2.gz HHLZKCIFICXSFX-AWEZNQCLSA-N 2 0 363.509 3.947 20 0 FHADRP COc1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1O ZINC000435426196 943406727 /nfs/dbraw/zinc/40/67/27/943406727.db2.gz GUGHIXHEPRMZAM-IBGZPJMESA-N 2 0 358.507 3.607 20 0 FHADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423147624 943407359 /nfs/dbraw/zinc/40/73/59/943407359.db2.gz SJOFUKBCXFHQBF-RRMPHLOHSA-N 2 0 352.503 3.721 20 0 FHADRP c1cc(C[N@H+](Cc2ccc3c(c2)OCCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430054 943408719 /nfs/dbraw/zinc/40/87/19/943408719.db2.gz XREKIWANELTSJW-HXUWFJFHSA-N 2 0 370.518 3.664 20 0 FHADRP COCC[NH2+]C1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000514942994 943409453 /nfs/dbraw/zinc/40/94/53/943409453.db2.gz YMYYGRZVGBEXPG-UHFFFAOYSA-N 2 0 366.549 3.788 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423151281 943410368 /nfs/dbraw/zinc/41/03/68/943410368.db2.gz CIPZESGTPDDKEY-UGSOOPFHSA-N 2 0 367.415 3.642 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000423151278 943410417 /nfs/dbraw/zinc/41/04/17/943410417.db2.gz CIPZESGTPDDKEY-ACJLOTCBSA-N 2 0 367.415 3.642 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423153497 943411038 /nfs/dbraw/zinc/41/10/38/943411038.db2.gz GTGGXFWURCXKMR-OOPCZODUSA-N 2 0 360.299 3.975 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132797 943413814 /nfs/dbraw/zinc/41/38/14/943413814.db2.gz UWKOICLUKSRARL-KSFYIVLOSA-N 2 0 370.541 3.589 20 0 FHADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)c(C)c1 ZINC000423137793 943416341 /nfs/dbraw/zinc/41/63/41/943416341.db2.gz ROEMIDVHGIPCPG-BAGYTPMASA-N 2 0 356.554 3.862 20 0 FHADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCC2)c(C)c1 ZINC000423137796 943416605 /nfs/dbraw/zinc/41/66/05/943416605.db2.gz ROEMIDVHGIPCPG-KSEOMHKRSA-N 2 0 356.554 3.862 20 0 FHADRP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000423143895 943419252 /nfs/dbraw/zinc/41/92/52/943419252.db2.gz FJZQEBIXXUZZLP-MHTWAQMVSA-N 2 0 361.599 3.912 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000513801865 943441459 /nfs/dbraw/zinc/44/14/59/943441459.db2.gz DJJPYBNAMDEXLA-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893297122 943447853 /nfs/dbraw/zinc/44/78/53/943447853.db2.gz JQWJXOARBSMZKO-BVXMROAISA-N 2 0 367.331 3.740 20 0 FHADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266552 943456228 /nfs/dbraw/zinc/45/62/28/943456228.db2.gz DHUPPXPNYAJWMX-GHMZBOCLSA-N 2 0 365.827 3.521 20 0 FHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423245419 943457469 /nfs/dbraw/zinc/45/74/69/943457469.db2.gz IVACIUJCELRHKJ-MNOVXSKESA-N 2 0 350.356 3.540 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423252369 943460259 /nfs/dbraw/zinc/46/02/59/943460259.db2.gz UCJWPFPJMWUULO-SIKLNZKXSA-N 3 0 361.549 3.968 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423256634 943460701 /nfs/dbraw/zinc/46/07/01/943460701.db2.gz FMSVWJZAIXVVHT-AUSIDOKSSA-N 2 0 368.521 3.967 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423307320 943471208 /nfs/dbraw/zinc/47/12/08/943471208.db2.gz VQUVTAJEAUAJBW-MRXNPFEDSA-N 2 0 355.482 3.679 20 0 FHADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000423319642 943474764 /nfs/dbraw/zinc/47/47/64/943474764.db2.gz LUESEFKUDDPHAU-CYBMUJFWSA-N 2 0 351.210 3.728 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000584718723 943482068 /nfs/dbraw/zinc/48/20/68/943482068.db2.gz ZNFGLYICBBXVFM-KGVIQGDOSA-N 2 0 365.521 3.831 20 0 FHADRP C[NH2+]CCc1ccccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000423337240 943483450 /nfs/dbraw/zinc/48/34/50/943483450.db2.gz UAZRZHVSXFYOHP-UHFFFAOYSA-N 2 0 351.494 3.687 20 0 FHADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423339576 943483998 /nfs/dbraw/zinc/48/39/98/943483998.db2.gz VJWRPVBTRBEGMY-FUHWJXTLSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423339572 943484112 /nfs/dbraw/zinc/48/41/12/943484112.db2.gz VJWRPVBTRBEGMY-AEFFLSMTSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423339856 943484801 /nfs/dbraw/zinc/48/48/01/943484801.db2.gz BNCCUNNDGWIXID-ZHRRBRCNSA-N 2 0 353.510 3.937 20 0 FHADRP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414736209 943485783 /nfs/dbraw/zinc/48/57/83/943485783.db2.gz MUHSBEHYAJCHTJ-CHWSQXEVSA-N 2 0 358.313 3.642 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000423353604 943487889 /nfs/dbraw/zinc/48/78/89/943487889.db2.gz MADQGQCLUKALCK-KRWDZBQOSA-N 2 0 351.494 3.987 20 0 FHADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000423354645 943488261 /nfs/dbraw/zinc/48/82/61/943488261.db2.gz NTCYVMPDJSGPKD-DYESRHJHSA-N 2 0 359.558 3.687 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394962 943500768 /nfs/dbraw/zinc/50/07/68/943500768.db2.gz NASGKMPQCBLTOX-XWIAVFTESA-N 2 0 367.331 3.504 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318410 943504499 /nfs/dbraw/zinc/50/44/99/943504499.db2.gz YVWXFXRHZWHZIC-BWUHRYBWSA-N 2 0 370.562 3.713 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403847 943507583 /nfs/dbraw/zinc/50/75/83/943507583.db2.gz SGKOSHGWGZIODC-XQAQDONZSA-N 2 0 362.315 3.895 20 0 FHADRP Clc1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCO1 ZINC000423402186 943507608 /nfs/dbraw/zinc/50/76/08/943507608.db2.gz WMPMEGNZFTVQCR-LEWJYISDSA-N 2 0 356.897 3.823 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2ccccc2)c2sccc2C)CC[NH2+]CC1 ZINC000423405451 943508025 /nfs/dbraw/zinc/50/80/25/943508025.db2.gz JGNWUAMPPVVWBL-LJQANCHMSA-N 2 0 358.551 3.946 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423407823 943508656 /nfs/dbraw/zinc/50/86/56/943508656.db2.gz NIYMPQCGLZAMPB-MJGOQNOKSA-N 2 0 350.934 3.972 20 0 FHADRP COCC1(C[NH2+][C@@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC[NH2+]CC1 ZINC000423408866 943509251 /nfs/dbraw/zinc/50/92/51/943509251.db2.gz PFOPSBZFOOFRKN-KRWDZBQOSA-N 2 0 357.542 3.830 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCCO2 ZINC000423447268 943513526 /nfs/dbraw/zinc/51/35/26/943513526.db2.gz UEVLHAPHHICLEV-USXIJHARSA-N 2 0 365.315 3.641 20 0 FHADRP Brc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)s1 ZINC000423451750 943514611 /nfs/dbraw/zinc/51/46/11/943514611.db2.gz YNQYVTBRQJNFNI-ZENOOKHLSA-N 2 0 355.345 3.939 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423450627 943514668 /nfs/dbraw/zinc/51/46/68/943514668.db2.gz XIFNOXBQPBLTFT-YESZJQIVSA-N 2 0 365.315 3.641 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423429906 943516618 /nfs/dbraw/zinc/51/66/18/943516618.db2.gz LSYBYFRAKHCPJV-FQEVSTJZSA-N 2 0 359.558 3.587 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423431385 943517400 /nfs/dbraw/zinc/51/74/00/943517400.db2.gz VEBSOABMNBHBMC-KZNAEPCWSA-N 2 0 360.546 3.976 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423457969 943521613 /nfs/dbraw/zinc/52/16/13/943521613.db2.gz JGRVVMGAQKQGNB-YNZLFHONSA-N 2 0 353.279 3.681 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423462888 943522847 /nfs/dbraw/zinc/52/28/47/943522847.db2.gz PQWUCSITVOZETA-GDOPRYPUSA-N 2 0 353.279 3.681 20 0 FHADRP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435624174 943526349 /nfs/dbraw/zinc/52/63/49/943526349.db2.gz WVNWPFJFGPLASW-IBGZPJMESA-N 2 0 351.494 3.756 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423454733 943528825 /nfs/dbraw/zinc/52/88/25/943528825.db2.gz DFLHFYOTKYEJEG-FYWYSVISSA-N 2 0 365.315 3.768 20 0 FHADRP CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435630267 943529093 /nfs/dbraw/zinc/52/90/93/943529093.db2.gz ZXCVPGYEYKFROQ-OAHLLOKOSA-N 2 0 368.403 3.719 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000423499015 943529600 /nfs/dbraw/zinc/52/96/00/943529600.db2.gz AAYPVLNGYNLICO-IUDNXUCKSA-N 2 0 356.341 3.860 20 0 FHADRP Clc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CCC2)cc1 ZINC000423501192 943530037 /nfs/dbraw/zinc/53/00/37/943530037.db2.gz AZQGKQNJRGSYHZ-CBNMVNINSA-N 2 0 361.961 3.987 20 0 FHADRP CC(C)[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)cc1F ZINC000423507859 943531558 /nfs/dbraw/zinc/53/15/58/943531558.db2.gz JXPVWXURGNZWLZ-LBXVMSDZSA-N 2 0 367.940 3.982 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423494075 943536908 /nfs/dbraw/zinc/53/69/08/943536908.db2.gz CTEZVHUEFVTQSB-RLSLPTNOSA-N 2 0 355.345 3.949 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423494038 943537068 /nfs/dbraw/zinc/53/70/68/943537068.db2.gz CPYLDSXOWCJTHB-BVGQSLNGSA-N 2 0 367.331 3.634 20 0 FHADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1C ZINC000423528967 943537806 /nfs/dbraw/zinc/53/78/06/943537806.db2.gz PJSFXBKLQABBHW-YJQWLVMKSA-N 2 0 369.553 3.764 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423532761 943539976 /nfs/dbraw/zinc/53/99/76/943539976.db2.gz RVCHXEDJUPTRLR-RBBKRZOGSA-N 2 0 369.940 3.650 20 0 FHADRP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535866 943540551 /nfs/dbraw/zinc/54/05/51/943540551.db2.gz FSOQGRFWAYCYDO-MRXNPFEDSA-N 2 0 355.707 3.989 20 0 FHADRP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1F ZINC000423509032 943540689 /nfs/dbraw/zinc/54/06/89/943540689.db2.gz LDPQEFFFLCBBKK-JTTJXQCZSA-N 2 0 353.913 3.736 20 0 FHADRP Clc1cccc([C@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)c1 ZINC000423517371 943543465 /nfs/dbraw/zinc/54/34/65/943543465.db2.gz YEFJMPOXCLRQCA-RCKXYERXSA-N 2 0 361.961 3.782 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423522228 943545392 /nfs/dbraw/zinc/54/53/92/943545392.db2.gz UFIBUZBWJKKYSE-MRLCAUJQSA-N 2 0 372.582 3.594 20 0 FHADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423522639 943545437 /nfs/dbraw/zinc/54/54/37/943545437.db2.gz VBXQRVRLVBRAQU-ZLPCBKJTSA-N 2 0 365.949 3.606 20 0 FHADRP Cc1cc2cc([C@@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)oc2cc1C ZINC000423525769 943546418 /nfs/dbraw/zinc/54/64/18/943546418.db2.gz YOXZHFNRXQXZFF-QHGAOEGBSA-N 2 0 355.526 3.917 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2cc(Cl)ccc2o1 ZINC000423526375 943547281 /nfs/dbraw/zinc/54/72/81/943547281.db2.gz ZFQZNHLBKIUBIV-RWBZWWBESA-N 2 0 361.917 3.953 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000423557419 943548178 /nfs/dbraw/zinc/54/81/78/943548178.db2.gz ZRHQIOBRUZDAST-FRYIKTPZSA-N 2 0 352.526 3.836 20 0 FHADRP CC(C)c1nc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000423557040 943548255 /nfs/dbraw/zinc/54/82/55/943548255.db2.gz IKVNYEORDGZFAL-KRWDZBQOSA-N 2 0 372.582 3.911 20 0 FHADRP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000423537399 943550863 /nfs/dbraw/zinc/55/08/63/943550863.db2.gz CUTHGZAZLOTJBE-UKAVVXHISA-N 2 0 355.913 3.997 20 0 FHADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423537709 943551133 /nfs/dbraw/zinc/55/11/33/943551133.db2.gz KRSNYZQKFMKONN-APWZRJJASA-N 2 0 362.489 3.734 20 0 FHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423548770 943553937 /nfs/dbraw/zinc/55/39/37/943553937.db2.gz MUJWDDYICWPMJA-QXUYBEEESA-N 2 0 350.506 3.957 20 0 FHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423548772 943554372 /nfs/dbraw/zinc/55/43/72/943554372.db2.gz MUJWDDYICWPMJA-SRUXOGRHSA-N 2 0 350.506 3.957 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000423551894 943554967 /nfs/dbraw/zinc/55/49/67/943554967.db2.gz URHQQSSVQCWAIC-ZNEHSRBWSA-N 2 0 367.356 3.964 20 0 FHADRP NC1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000423578005 943561506 /nfs/dbraw/zinc/56/15/06/943561506.db2.gz TYJCISDRZRUSRG-GOTSBHOMSA-N 2 0 363.549 3.906 20 0 FHADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000423581032 943563064 /nfs/dbraw/zinc/56/30/64/943563064.db2.gz YPAHSHATAWIURU-MRXNPFEDSA-N 2 0 372.582 3.658 20 0 FHADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000423579905 943563118 /nfs/dbraw/zinc/56/31/18/943563118.db2.gz WVTKWCSSRHMHMF-NRFANRHFSA-N 2 0 373.491 3.999 20 0 FHADRP C[C@H]1C[C@@H](C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000414752539 943569969 /nfs/dbraw/zinc/56/99/69/943569969.db2.gz LACRSVYPKMEUGL-GJZGRUSLSA-N 2 0 367.331 3.680 20 0 FHADRP C[NH+](C)Cc1cc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)ccc1F ZINC000424143547 943749716 /nfs/dbraw/zinc/74/97/16/943749716.db2.gz KBGSULSIGANVEM-IBGZPJMESA-N 2 0 363.521 3.581 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)CC2)cc1 ZINC000424269698 943815260 /nfs/dbraw/zinc/81/52/60/943815260.db2.gz MREKJXLOMQDXQU-MLMHEIKCSA-N 2 0 372.553 3.700 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424244609 943817398 /nfs/dbraw/zinc/81/73/98/943817398.db2.gz SUIGRHBPNZTCBF-SFHVURJKSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1csc(CCc3ccccc3)n1)CC[NH2+]CC2 ZINC000424294439 943823230 /nfs/dbraw/zinc/82/32/30/943823230.db2.gz QJXKRIAEJVKWFI-KRWDZBQOSA-N 2 0 355.551 3.892 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781173 943830322 /nfs/dbraw/zinc/83/03/22/943830322.db2.gz MQRZVGJNUFLWHM-CVEARBPZSA-N 2 0 354.441 3.508 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC(F)F ZINC000414781181 943831424 /nfs/dbraw/zinc/83/14/24/943831424.db2.gz MQRZVGJNUFLWHM-JKSUJKDBSA-N 2 0 354.441 3.508 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC([C@H](C)[NH3+])CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417700326 943838097 /nfs/dbraw/zinc/83/80/97/943838097.db2.gz IKIFEQLJLDPQKG-ROUUACIJSA-N 2 0 374.573 3.665 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@H](CC[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417706229 943842066 /nfs/dbraw/zinc/84/20/66/943842066.db2.gz OSKVIQUUPWUBSY-RBUKOAKNSA-N 2 0 374.573 3.666 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000515383921 943845094 /nfs/dbraw/zinc/84/50/94/943845094.db2.gz YQKXWFHALKUBCC-BGYRXZFFSA-N 2 0 364.537 3.657 20 0 FHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424301995 943851187 /nfs/dbraw/zinc/85/11/87/943851187.db2.gz LPADEJQRYWAJEW-KQVFKAFJSA-N 2 0 356.554 3.936 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784202 943866374 /nfs/dbraw/zinc/86/63/74/943866374.db2.gz QWWMIIQAICVBMO-IRXDYDNUSA-N 2 0 358.917 3.656 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1OCc1ccccn1)CC[NH2+]CC2 ZINC000424381984 943890118 /nfs/dbraw/zinc/89/01/18/943890118.db2.gz RRLLALVAEHGRNY-SFHVURJKSA-N 2 0 351.494 3.625 20 0 FHADRP CCOc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OC(F)F ZINC000424385639 943892729 /nfs/dbraw/zinc/89/27/29/943892729.db2.gz WGPQXEIUOMOKJV-AWEZNQCLSA-N 2 0 354.441 3.651 20 0 FHADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000504917942 943897723 /nfs/dbraw/zinc/89/77/23/943897723.db2.gz DLIBNTSIWZXYCB-YLJYHZDGSA-N 2 0 371.569 3.760 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417864480 943914487 /nfs/dbraw/zinc/91/44/87/943914487.db2.gz BEIXZKXEJWGQNL-SVFBPWRDSA-N 2 0 374.573 3.522 20 0 FHADRP CC(C)(C)OC(=O)c1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000500068576 944051993 /nfs/dbraw/zinc/05/19/93/944051993.db2.gz MLOWUSZYKSHFIG-LJQANCHMSA-N 2 0 358.526 3.950 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414818240 944139794 /nfs/dbraw/zinc/13/97/94/944139794.db2.gz VCMCSGSRLFOWMS-CVEARBPZSA-N 2 0 373.928 3.887 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000517258267 944152934 /nfs/dbraw/zinc/15/29/34/944152934.db2.gz ZDALLIADHGBJQF-NHCUHLMSSA-N 2 0 353.510 3.838 20 0 FHADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000437842455 944157514 /nfs/dbraw/zinc/15/75/14/944157514.db2.gz LGFLPVKBFLEDJG-QFIPXVFZSA-N 2 0 369.553 3.809 20 0 FHADRP C[C@H](C[NH3+])C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414881827 944216429 /nfs/dbraw/zinc/21/64/29/944216429.db2.gz SUZFJQYSYFBMFY-CHWSQXEVSA-N 2 0 351.288 3.554 20 0 FHADRP COCCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000425935247 944219979 /nfs/dbraw/zinc/21/99/79/944219979.db2.gz HLFIPMSTEUHVEB-PBHICJAKSA-N 2 0 357.336 3.704 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000517330443 944225460 /nfs/dbraw/zinc/22/54/60/944225460.db2.gz AKJXEHURMHNOLX-NFAWXSAZSA-N 2 0 357.420 3.530 20 0 FHADRP CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000500199697 944244584 /nfs/dbraw/zinc/24/45/84/944244584.db2.gz HQTSHWHPTMDUDR-UHFFFAOYSA-N 2 0 357.542 3.524 20 0 FHADRP COCC1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC[NH2+]CC1 ZINC000414975271 944262381 /nfs/dbraw/zinc/26/23/81/944262381.db2.gz NRPMBIACSABTGY-UHFFFAOYSA-N 2 0 366.933 3.767 20 0 FHADRP C[NH2+]CCC1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000414975856 944271712 /nfs/dbraw/zinc/27/17/12/944271712.db2.gz MTSBOSNKVKGTPS-UHFFFAOYSA-N 2 0 372.557 3.568 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCNc2ccccn2)CC1 ZINC000518348953 944289742 /nfs/dbraw/zinc/28/97/42/944289742.db2.gz IPSNYQJIYIUNQE-UHFFFAOYSA-N 2 0 352.526 3.916 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000473736580 944313097 /nfs/dbraw/zinc/31/30/97/944313097.db2.gz BEZSNWOCRXWPNS-RXVVDRJESA-N 2 0 374.573 3.591 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000439091174 944329617 /nfs/dbraw/zinc/32/96/17/944329617.db2.gz ZPBNXMHQGPYKHC-HNNXBMFYSA-N 2 0 355.482 3.566 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000439091176 944330050 /nfs/dbraw/zinc/33/00/50/944330050.db2.gz ZPBNXMHQGPYKHC-OAHLLOKOSA-N 2 0 355.482 3.566 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccc(C[NH2+]C)cc2)CC1 ZINC000414981189 944333912 /nfs/dbraw/zinc/33/39/12/944333912.db2.gz XJXQAQNZOSUDIL-UHFFFAOYSA-N 2 0 352.526 3.550 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438108195 944346198 /nfs/dbraw/zinc/34/61/98/944346198.db2.gz XZRWKZXGROVBGO-ZEQRLZLVSA-N 2 0 369.597 3.987 20 0 FHADRP CC(C)NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836572 944347207 /nfs/dbraw/zinc/34/72/07/944347207.db2.gz OSWUIFAQWBDCCN-QFIPXVFZSA-N 2 0 371.569 3.524 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001167752259 944354497 /nfs/dbraw/zinc/35/44/97/944354497.db2.gz SSAWGBDOLOJFQI-GOSISDBHSA-N 2 0 368.525 3.748 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000517530620 944377402 /nfs/dbraw/zinc/37/74/02/944377402.db2.gz UIFYTQRPRSZJGF-OAQYLSRUSA-N 2 0 363.590 3.661 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000518461152 944401388 /nfs/dbraw/zinc/40/13/88/944401388.db2.gz YADHPTWNYRDJIN-IBGZPJMESA-N 2 0 372.557 3.711 20 0 FHADRP CC1CC[NH+](CCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000518461294 944401484 /nfs/dbraw/zinc/40/14/84/944401484.db2.gz RUDVPBNFNBWJGK-UHFFFAOYSA-N 2 0 372.557 3.568 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301100 944412987 /nfs/dbraw/zinc/41/29/87/944412987.db2.gz LLSRIXJEMMBNNH-FUHWJXTLSA-N 2 0 358.555 3.704 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000438212294 944418122 /nfs/dbraw/zinc/41/81/22/944418122.db2.gz HILXNJMAQJJPPS-DLBZAZTESA-N 2 0 358.448 3.880 20 0 FHADRP Cc1ccc2cc(C[NH2+]CCc3ccc(OCC[NH+](C)C)cc3)ccc2n1 ZINC000438221017 944423807 /nfs/dbraw/zinc/42/38/07/944423807.db2.gz VTLFVFQRFAEHSQ-UHFFFAOYSA-N 2 0 363.505 3.816 20 0 FHADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCC2 ZINC001167978132 944428091 /nfs/dbraw/zinc/42/80/91/944428091.db2.gz KJWRZKPVGHITMY-GFSYIJCISA-N 2 0 368.521 3.846 20 0 FHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000518515386 944458494 /nfs/dbraw/zinc/45/84/94/944458494.db2.gz YOZZNWPSIMIQMC-DENIHFKCSA-N 2 0 371.569 3.540 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000414992296 944490896 /nfs/dbraw/zinc/49/08/96/944490896.db2.gz BOXCBEGEBCVTTM-OLMNPRSZSA-N 2 0 352.906 3.505 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118025 944501858 /nfs/dbraw/zinc/50/18/58/944501858.db2.gz QSBJXNOJTQTLAH-HZPDHXFCSA-N 2 0 351.922 3.685 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1O ZINC000426350639 944526794 /nfs/dbraw/zinc/52/67/94/944526794.db2.gz GGSALQMBIBDMGN-KRWDZBQOSA-N 2 0 360.542 3.966 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000414996096 944544427 /nfs/dbraw/zinc/54/44/27/944544427.db2.gz OEBSBBIRSDTJIV-PWSUYJOCSA-N 2 0 363.246 3.658 20 0 FHADRP Cc1cccc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2cccc(F)c2)c1 ZINC000516195668 944567926 /nfs/dbraw/zinc/56/79/26/944567926.db2.gz GDEGFUICEKEPSA-QHCPKHFHSA-N 2 0 369.528 3.841 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(CC)OCCc3ccccc32)[C@@H](C)C1 ZINC000516219327 944582144 /nfs/dbraw/zinc/58/21/44/944582144.db2.gz ZZQGZPNPUOSFCE-AJSBUHFISA-N 2 0 374.569 3.591 20 0 FHADRP CC[C@H]1C[NH+](Cc2ccc(C[N@@H+]3CCCO[C@@H](CC)C3)cc2)CCCO1 ZINC000439469976 944647974 /nfs/dbraw/zinc/64/79/74/944647974.db2.gz BMUVVQLQSACWLK-VXKWHMMOSA-N 2 0 360.542 3.688 20 0 FHADRP c1cc(-c2ccccc2)sc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000506862875 944678018 /nfs/dbraw/zinc/67/80/18/944678018.db2.gz TUMGWUFDCHTYHM-UHFFFAOYSA-N 2 0 356.535 3.959 20 0 FHADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742505 944722741 /nfs/dbraw/zinc/72/27/41/944722741.db2.gz JJXYFBSGLBWNJK-SFHVURJKSA-N 2 0 367.493 3.816 20 0 FHADRP Cc1cnccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000519582809 944756296 /nfs/dbraw/zinc/75/62/96/944756296.db2.gz WACYHHVRKRPKQM-UHFFFAOYSA-N 2 0 353.510 3.551 20 0 FHADRP CC(C)[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC000518806889 944788000 /nfs/dbraw/zinc/78/80/00/944788000.db2.gz YISFRAFNQODZHF-AZUAARDMSA-N 2 0 359.558 3.743 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000516397473 944794437 /nfs/dbraw/zinc/79/44/37/944794437.db2.gz BDGJLUNZNXXHNW-IBGZPJMESA-N 2 0 357.542 3.524 20 0 FHADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1-c1ccccc1 ZINC000517936928 944850528 /nfs/dbraw/zinc/85/05/28/944850528.db2.gz CKCZRCNZYVAUFY-HXUWFJFHSA-N 2 0 363.505 3.614 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000511681904 944914007 /nfs/dbraw/zinc/91/40/07/944914007.db2.gz QGLBZEUQJRMOAD-OTWHNJEPSA-N 2 0 371.569 3.767 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cc2)c1 ZINC000414941461 944916765 /nfs/dbraw/zinc/91/67/65/944916765.db2.gz CQOXIQIPUGFNNE-RDJZCZTQSA-N 2 0 356.466 3.726 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426481382 944926698 /nfs/dbraw/zinc/92/66/98/944926698.db2.gz GHPRBKXGFNWSSB-UHFFFAOYSA-N 2 0 359.558 3.609 20 0 FHADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCc1ccccc1 ZINC000262066021 944932528 /nfs/dbraw/zinc/93/25/28/944932528.db2.gz RPPZTCMDERWZDG-UHFFFAOYSA-N 2 0 366.505 3.850 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414943231 944933609 /nfs/dbraw/zinc/93/36/09/944933609.db2.gz NOLACGWSXVNUAW-GCJKJVERSA-N 2 0 360.505 3.686 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC[NH2+]1 ZINC000414941963 944938141 /nfs/dbraw/zinc/93/81/41/944938141.db2.gz DCMYSRLLJIMLQE-VQIMIIECSA-N 2 0 366.534 3.890 20 0 FHADRP CC1([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[NH2+]CC1 ZINC000414946664 945000433 /nfs/dbraw/zinc/00/04/33/945000433.db2.gz UQHJCXAZSXRYFS-UHFFFAOYSA-N 2 0 367.209 3.579 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084528 945001048 /nfs/dbraw/zinc/00/10/48/945001048.db2.gz BJOSOXYOPHMUGI-KNKQGSTJSA-N 2 0 355.570 3.928 20 0 FHADRP CC1([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414949036 945005329 /nfs/dbraw/zinc/00/53/29/945005329.db2.gz ZKVQRAORLMYWQL-CYBMUJFWSA-N 2 0 370.337 3.790 20 0 FHADRP Cc1c(Cl)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)nc2ccccc12 ZINC000516556770 945025036 /nfs/dbraw/zinc/02/50/36/945025036.db2.gz SALCDFPQYDWPBD-UTKZUKDTSA-N 2 0 373.928 3.915 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414898459 945031364 /nfs/dbraw/zinc/03/13/64/945031364.db2.gz GBMHQMAAXCRQNP-UHFFFAOYSA-N 2 0 360.933 3.681 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC[NH2+]1 ZINC000414955801 945047859 /nfs/dbraw/zinc/04/78/59/945047859.db2.gz UQQCPVJQOKTGFK-MPKXVKKWSA-N 2 0 370.337 3.789 20 0 FHADRP CN(Cc1nccs1)[C@H]1CC12CC[NH+](C/C=C\c1ccncc1)CC2 ZINC000426167037 945058449 /nfs/dbraw/zinc/05/84/49/945058449.db2.gz INLBLHJNTJSXJN-KVLZDYKBSA-N 2 0 354.523 3.538 20 0 FHADRP C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440276887 945369736 /nfs/dbraw/zinc/36/97/36/945369736.db2.gz ODUWOBPAKWEREP-SIKLNZKXSA-N 2 0 369.553 3.516 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1cccs1 ZINC000415010486 945403090 /nfs/dbraw/zinc/40/30/90/945403090.db2.gz UYFWKZIASPOCHN-NVXWUHKLSA-N 2 0 360.523 3.943 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000415011724 945461995 /nfs/dbraw/zinc/46/19/95/945461995.db2.gz ICVFHVUIKGAYKI-INIZCTEOSA-N 2 0 358.530 3.921 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415011590 945474568 /nfs/dbraw/zinc/47/45/68/945474568.db2.gz WGXHSYQMKQPGSA-MLGOLLRUSA-N 2 0 352.404 3.703 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000415021301 945503898 /nfs/dbraw/zinc/50/38/98/945503898.db2.gz KMYRIXZHRTZMQM-GWCFXTLKSA-N 2 0 358.326 3.776 20 0 FHADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415044664 945512006 /nfs/dbraw/zinc/51/20/06/945512006.db2.gz AVDNGDJVAABZFA-KSCNFPHJSA-N 2 0 355.570 3.765 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000660835569 945526186 /nfs/dbraw/zinc/52/61/86/945526186.db2.gz VOOWAHAGTIDDJE-OAQYLSRUSA-N 2 0 355.570 3.599 20 0 FHADRP COc1cc(OC)c(CNC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000651668790 945585862 /nfs/dbraw/zinc/58/58/62/945585862.db2.gz ZNFMITUQXLHRAO-UHFFFAOYSA-N 2 0 358.457 3.597 20 0 FHADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CCOCC1 ZINC000187780912 945596847 /nfs/dbraw/zinc/59/68/47/945596847.db2.gz FKXOGQPQGMPGHZ-PWHSHALESA-N 2 0 374.569 3.696 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2cc1OCC ZINC000549524626 945610323 /nfs/dbraw/zinc/61/03/23/945610323.db2.gz LREOGCHGQZSBQN-QGZVFWFLSA-N 2 0 369.509 3.954 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000188045596 945660971 /nfs/dbraw/zinc/66/09/71/945660971.db2.gz VBHQQUFRPOXAQU-QRWLVFNGSA-N 2 0 358.457 3.941 20 0 FHADRP c1ccc(CC[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167969415 945690921 /nfs/dbraw/zinc/69/09/21/945690921.db2.gz BYYXHPDKENVZHE-CWAQXLGLSA-N 2 0 367.581 3.689 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(-c2cccnc2)cc1 ZINC000638728293 945699773 /nfs/dbraw/zinc/69/97/73/945699773.db2.gz MKXJPTUKTKTFTC-KRWDZBQOSA-N 2 0 353.510 3.635 20 0 FHADRP CCc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[NH+](C)C)cc1 ZINC000110919232 945783793 /nfs/dbraw/zinc/78/37/93/945783793.db2.gz XIPNFUACOXBLHG-VXKWHMMOSA-N 2 0 367.537 3.661 20 0 FHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651733532 945802260 /nfs/dbraw/zinc/80/22/60/945802260.db2.gz KURIHCZJODWZTM-RCCFBDPRSA-N 2 0 366.908 3.824 20 0 FHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000281727522 945825099 /nfs/dbraw/zinc/82/50/99/945825099.db2.gz PPKUSOQQRLNRGV-YHBROIRLSA-N 2 0 360.542 3.685 20 0 FHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000281727525 945825151 /nfs/dbraw/zinc/82/51/51/945825151.db2.gz PPKUSOQQRLNRGV-YHDSQAASSA-N 2 0 360.542 3.685 20 0 FHADRP CCC[C@](C)([NH3+])C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757893 945892770 /nfs/dbraw/zinc/89/27/70/945892770.db2.gz MJMYVUAQJIZENZ-OFNKIYASSA-N 2 0 371.569 3.653 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700505 945922955 /nfs/dbraw/zinc/92/29/55/945922955.db2.gz FLBHWXAFKCYAEN-LPHOPBHVSA-N 2 0 369.509 3.953 20 0 FHADRP C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000188063953 945930417 /nfs/dbraw/zinc/93/04/17/945930417.db2.gz YVZOACTUZCBABY-YWZLYKJASA-N 2 0 358.457 3.941 20 0 FHADRP C[C@@]12CC3([NH3+])CC([NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)(C1)C[C@](C)(C3)C2 ZINC001167973883 945975558 /nfs/dbraw/zinc/97/55/58/945975558.db2.gz PWOGNCUJVNEEGP-SDFAFODESA-N 3 0 357.586 3.812 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522847558 945995900 /nfs/dbraw/zinc/99/59/00/945995900.db2.gz ZWERCIQNUADNNV-GOSISDBHSA-N 2 0 366.509 3.632 20 0 FHADRP CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[NH+](CC)CC ZINC000522853080 945999378 /nfs/dbraw/zinc/99/93/78/945999378.db2.gz NSFDEYKRVDKMMV-NRFANRHFSA-N 2 0 359.558 3.655 20 0 FHADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000522860640 946009065 /nfs/dbraw/zinc/00/90/65/946009065.db2.gz JAKXTSIMXAIHSO-QFIPXVFZSA-N 2 0 371.569 3.942 20 0 FHADRP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000444173260 946020111 /nfs/dbraw/zinc/02/01/11/946020111.db2.gz UFIALAXIZXAHOS-IBGZPJMESA-N 2 0 353.510 3.975 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594521186 946074714 /nfs/dbraw/zinc/07/47/14/946074714.db2.gz MJASTQWTYPLXFL-AYOQOUSVSA-N 2 0 364.574 3.843 20 0 FHADRP CCCNC(=O)C[NH+]1CCC(Nc2c3ccccc3[nH+]c(C)c2CC)CC1 ZINC000302020397 946081509 /nfs/dbraw/zinc/08/15/09/946081509.db2.gz DZHJZTPFLQQFIM-UHFFFAOYSA-N 2 0 368.525 3.508 20 0 FHADRP O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806832 946162036 /nfs/dbraw/zinc/16/20/36/946162036.db2.gz LUMWGSMELKXGQH-JOCHJYFZSA-N 2 0 369.553 3.594 20 0 FHADRP CN(c1ccccc1C[NH+]1CCC([C@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000188262401 946188430 /nfs/dbraw/zinc/18/84/30/946188430.db2.gz DUORZIYBZDXVIY-HSZRJFAPSA-N 2 0 371.569 3.608 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613799618 946227337 /nfs/dbraw/zinc/22/73/37/946227337.db2.gz RFIPTWYRZSDIDC-OAQYLSRUSA-N 2 0 365.521 3.609 20 0 FHADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cccc3cc[nH]c32)[C@H](c2ccccc2)C1 ZINC000520206813 946268293 /nfs/dbraw/zinc/26/82/93/946268293.db2.gz PFEGDJFPRRKYDU-QFIPXVFZSA-N 2 0 362.521 3.636 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000549553013 946324759 /nfs/dbraw/zinc/32/47/59/946324759.db2.gz RAKMLVIRGLTYLJ-BAGYTPMASA-N 2 0 371.569 3.639 20 0 FHADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000520290341 946366472 /nfs/dbraw/zinc/36/64/72/946366472.db2.gz GNPBNBJYXWXTJH-ICSRJNTNSA-N 2 0 357.542 3.641 20 0 FHADRP OCCC[NH+]1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000302919777 946385396 /nfs/dbraw/zinc/38/53/96/946385396.db2.gz YSFKPLRUDZVZSM-UHFFFAOYSA-N 2 0 363.461 3.532 20 0 FHADRP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000840778431 946402841 /nfs/dbraw/zinc/40/28/41/946402841.db2.gz BMNYRYMCWRWVHG-WMZOPIPTSA-N 2 0 358.486 3.507 20 0 FHADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189193 946460820 /nfs/dbraw/zinc/46/08/20/946460820.db2.gz FWQZZNFXUZHWIP-KRWDZBQOSA-N 2 0 364.530 3.875 20 0 FHADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132639 946468661 /nfs/dbraw/zinc/46/86/61/946468661.db2.gz AQFUZMQOZBPUHM-PMACEKPBSA-N 2 0 373.928 3.800 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)C3)cc1 ZINC000652247371 946528646 /nfs/dbraw/zinc/52/86/46/946528646.db2.gz JISIDLCUTRGOLT-KAOXLYBCSA-N 2 0 354.538 3.977 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C ZINC000531381859 946539804 /nfs/dbraw/zinc/53/98/04/946539804.db2.gz OBZKPBHZMZNSCO-WIYYLYMNSA-N 2 0 353.510 3.965 20 0 FHADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000783594221 946560952 /nfs/dbraw/zinc/56/09/52/946560952.db2.gz DZEGZDQRZZHBJJ-UHFFFAOYSA-N 2 0 354.970 3.970 20 0 FHADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441410297 946564135 /nfs/dbraw/zinc/56/41/35/946564135.db2.gz LBGFVPSCOQJEAM-GCJKJVERSA-N 2 0 358.526 3.803 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000112518384 946667849 /nfs/dbraw/zinc/66/78/49/946667849.db2.gz YEQZTXLOGNUCFH-HNNXBMFYSA-N 2 0 374.554 3.719 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(Cl)c3)cn2)CC1 ZINC000112529242 946670200 /nfs/dbraw/zinc/67/02/00/946670200.db2.gz NZSKOCGEWURYHS-INIZCTEOSA-N 2 0 358.917 3.728 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3Cl)cn2)CC1 ZINC000112529246 946670400 /nfs/dbraw/zinc/67/04/00/946670400.db2.gz XGBUXLDYMTUDIA-INIZCTEOSA-N 2 0 358.917 3.728 20 0 FHADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000475225875 946735342 /nfs/dbraw/zinc/73/53/42/946735342.db2.gz VLHLBQYDGVZYRD-CTNGQTDRSA-N 2 0 350.506 3.664 20 0 FHADRP C[C@@H]1CC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000655720132 946765889 /nfs/dbraw/zinc/76/58/89/946765889.db2.gz ZWEDZJAXPVMUQT-UYAOXDASSA-N 2 0 362.583 3.931 20 0 FHADRP C[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](C)O[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000661856009 946772442 /nfs/dbraw/zinc/77/24/42/946772442.db2.gz GLQISQRDTBFBML-ZRNYENFQSA-N 2 0 360.542 3.685 20 0 FHADRP C[C@@H]1CN(c2ccccc2C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000550358143 946775178 /nfs/dbraw/zinc/77/51/78/946775178.db2.gz ZIMSAULFOOLRLH-VQTJNVASSA-N 2 0 359.558 3.656 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000119453047 946784552 /nfs/dbraw/zinc/78/45/52/946784552.db2.gz OCJUIOKLHPWDCR-GCJKJVERSA-N 2 0 365.521 3.625 20 0 FHADRP COc1cc(C)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000475272520 946807649 /nfs/dbraw/zinc/80/76/49/946807649.db2.gz YOXVXZLHGKQSLF-LJQANCHMSA-N 2 0 354.494 3.624 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000112918670 946816410 /nfs/dbraw/zinc/81/64/10/946816410.db2.gz FKCRQFDSYSIYAI-UHFFFAOYSA-N 2 0 371.569 3.867 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179106762 946825426 /nfs/dbraw/zinc/82/54/26/946825426.db2.gz PBCKEZCIVDSZOI-KRWDZBQOSA-N 2 0 372.944 3.723 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(Cl)nc3)cc2)CC1 ZINC000179106748 946826013 /nfs/dbraw/zinc/82/60/13/946826013.db2.gz KXJYANVMOFRLOS-QGZVFWFLSA-N 2 0 372.944 3.723 20 0 FHADRP COc1ccccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994715 946889825 /nfs/dbraw/zinc/88/98/25/946889825.db2.gz LXJPEKSAAHPVLN-YOFSQIOKSA-N 2 0 370.537 3.944 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000511909419 946936933 /nfs/dbraw/zinc/93/69/33/946936933.db2.gz DSGAMCYAMNPIOJ-LJQANCHMSA-N 2 0 368.521 3.630 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000543875283 946976013 /nfs/dbraw/zinc/97/60/13/946976013.db2.gz RODQLPHNPKJTFD-RTBURBONSA-N 2 0 351.579 3.610 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396322378 946991338 /nfs/dbraw/zinc/99/13/38/946991338.db2.gz MFPBPBWBKNICOK-UHFFFAOYSA-N 2 0 358.448 3.854 20 0 FHADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647978837 947023228 /nfs/dbraw/zinc/02/32/28/947023228.db2.gz ZCYFWNWTTIOVGO-IAGOWNOFSA-N 2 0 374.916 3.644 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC(C)(C)C2)cc1)C1CC1 ZINC000444626687 947057623 /nfs/dbraw/zinc/05/76/23/947057623.db2.gz AVHYDLACEKLDBK-UHFFFAOYSA-N 2 0 357.542 3.523 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H](CNC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929865 947108547 /nfs/dbraw/zinc/10/85/47/947108547.db2.gz NHKBFHBOFOSMBV-HSZRJFAPSA-N 2 0 363.549 3.763 20 0 FHADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000236770692 947115557 /nfs/dbraw/zinc/11/55/57/947115557.db2.gz FLFKYNJMLWZFCS-HXUWFJFHSA-N 2 0 373.541 3.772 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825415463 947183691 /nfs/dbraw/zinc/18/36/91/947183691.db2.gz BIPIFRFFNMSWPB-MRXNPFEDSA-N 2 0 364.497 3.559 20 0 FHADRP Cc1cn2cc(NC(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2n1 ZINC000523424733 947237151 /nfs/dbraw/zinc/23/71/51/947237151.db2.gz LWEZEAFESKVZIM-GASCZTMLSA-N 2 0 357.502 3.521 20 0 FHADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000583469776 947402220 /nfs/dbraw/zinc/40/22/20/947402220.db2.gz DLMKFZUHARBFBK-GBAJDQEWSA-N 2 0 372.553 3.856 20 0 FHADRP CC1(C)C[N@H+](CCOCC(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663218717 947447051 /nfs/dbraw/zinc/44/70/51/947447051.db2.gz WIORYVWDRBSUMF-FQEVSTJZSA-N 2 0 366.496 3.891 20 0 FHADRP CC[NH+](CC)Cc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000188360243 947553104 /nfs/dbraw/zinc/55/31/04/947553104.db2.gz IBXWBINIKQOQRI-UHFFFAOYSA-N 2 0 373.541 3.502 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189044590 947611952 /nfs/dbraw/zinc/61/19/52/947611952.db2.gz CAFJVQNJCCBHSR-GOSISDBHSA-N 2 0 358.505 3.672 20 0 FHADRP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662256641 947675244 /nfs/dbraw/zinc/67/52/44/947675244.db2.gz MOKORSSJZSTFFN-IBGZPJMESA-N 2 0 352.453 3.566 20 0 FHADRP c1ccc(C[N@@H+](CCc2nsc3ccccc23)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000662263794 947682137 /nfs/dbraw/zinc/68/21/37/947682137.db2.gz NEMDILMKIOVYHR-GOSISDBHSA-N 2 0 366.534 3.878 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291618 947714967 /nfs/dbraw/zinc/71/49/67/947714967.db2.gz VUUGMKJJWXLDMW-HKUYNNGSSA-N 2 0 357.542 3.849 20 0 FHADRP c1ccc(-n2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c3c2CCC3)cc1 ZINC000662293325 947716584 /nfs/dbraw/zinc/71/65/84/947716584.db2.gz QLEUDYSMLGHQPC-IBGZPJMESA-N 2 0 364.537 3.573 20 0 FHADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662296534 947722557 /nfs/dbraw/zinc/72/25/57/947722557.db2.gz LROIQQCIURPYOB-QGZVFWFLSA-N 2 0 374.916 3.644 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295796 947722680 /nfs/dbraw/zinc/72/26/80/947722680.db2.gz UMPUJROHPVGDMA-ICSRJNTNSA-N 2 0 357.542 3.650 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306299 947732669 /nfs/dbraw/zinc/73/26/69/947732669.db2.gz QDTNRGDHTKDJIJ-XLIONFOSSA-N 2 0 358.457 3.722 20 0 FHADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321756 947749481 /nfs/dbraw/zinc/74/94/81/947749481.db2.gz DAWPYLODMHIMJM-FQEVSTJZSA-N 2 0 372.557 3.558 20 0 FHADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327338 947759819 /nfs/dbraw/zinc/75/98/19/947759819.db2.gz NWAXXKDGGSYIRR-OAHLLOKOSA-N 2 0 356.489 3.956 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347646 947820707 /nfs/dbraw/zinc/82/07/07/947820707.db2.gz REWJDVAGFGTFDA-QGZVFWFLSA-N 2 0 368.468 3.898 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000662487275 947857127 /nfs/dbraw/zinc/85/71/27/947857127.db2.gz JKVXJUJXFAJEOL-JTHBVZDNSA-N 2 0 371.569 3.512 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000165383462 947939018 /nfs/dbraw/zinc/93/90/18/947939018.db2.gz QPIFTBARMWWPEL-CVEARBPZSA-N 2 0 370.497 3.529 20 0 FHADRP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000165383350 947939188 /nfs/dbraw/zinc/93/91/88/947939188.db2.gz QPIFTBARMWWPEL-HOTGVXAUSA-N 2 0 370.497 3.529 20 0 FHADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc2c1CC[NH2+]C2 ZINC000662698591 947988294 /nfs/dbraw/zinc/98/82/94/947988294.db2.gz OIIRCUIBDZBRJY-UHFFFAOYSA-N 2 0 363.505 3.961 20 0 FHADRP COc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000311916012 948029732 /nfs/dbraw/zinc/02/97/32/948029732.db2.gz IDLZNTLDXALHDD-QFIPXVFZSA-N 2 0 354.494 3.706 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466156 948051258 /nfs/dbraw/zinc/05/12/58/948051258.db2.gz ORJSBZIRQRZNBY-OFNKIYASSA-N 2 0 369.597 3.794 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663466971 948057130 /nfs/dbraw/zinc/05/71/30/948057130.db2.gz CIHBXWQEJZZYMD-IEBWSBKVSA-N 2 0 372.557 3.989 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663467065 948057270 /nfs/dbraw/zinc/05/72/70/948057270.db2.gz CTEFGUVHFKUCAO-OIBXWCBGSA-N 2 0 355.570 3.609 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001167821589 948079830 /nfs/dbraw/zinc/07/98/30/948079830.db2.gz DWCPVVOIBQMVEK-JTHBVZDNSA-N 2 0 373.585 3.868 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823889 948103029 /nfs/dbraw/zinc/10/30/29/948103029.db2.gz FTNMITVREVSBLO-NZQKXSOJSA-N 2 0 371.569 3.934 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823887 948103113 /nfs/dbraw/zinc/10/31/13/948103113.db2.gz FTNMITVREVSBLO-NFBKMPQASA-N 2 0 371.569 3.934 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001167824255 948106940 /nfs/dbraw/zinc/10/69/40/948106940.db2.gz GKDCVOFVVWGKDM-GBESFXJTSA-N 2 0 364.603 3.550 20 0 FHADRP CCOC[C@@H]1COCCC12CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825387 948121638 /nfs/dbraw/zinc/12/16/38/948121638.db2.gz JZLSROPKMFJKJP-VQTJNVASSA-N 2 0 354.579 3.652 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)CC1 ZINC000663506095 948126825 /nfs/dbraw/zinc/12/68/25/948126825.db2.gz PTLMPUAUNOHMFF-CZTZKLFOSA-N 2 0 371.569 3.539 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001167826579 948131405 /nfs/dbraw/zinc/13/14/05/948131405.db2.gz QPXKYSKVWAHSDN-IBGZPJMESA-N 2 0 373.541 3.988 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+]2C[C@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001167826736 948136143 /nfs/dbraw/zinc/13/61/43/948136143.db2.gz QXEQXGBMKHCLQP-QNWVGRARSA-N 2 0 373.585 3.643 20 0 FHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000520500710 948188905 /nfs/dbraw/zinc/18/89/05/948188905.db2.gz XCEZHTGUDHDXLF-VQTJNVASSA-N 2 0 368.924 3.769 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)cc1)C1CC1 ZINC000512023386 948212248 /nfs/dbraw/zinc/21/22/48/948212248.db2.gz FWIDVDXZQGBNJI-LJQANCHMSA-N 2 0 357.542 3.521 20 0 FHADRP COc1ccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000585747814 948252711 /nfs/dbraw/zinc/25/27/11/948252711.db2.gz YSVWPVMHXQEKIU-UHFFFAOYSA-N 2 0 373.541 3.612 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2ncnc3ccccc32)CC1 ZINC001167834425 948253505 /nfs/dbraw/zinc/25/35/05/948253505.db2.gz JRQRRRQWNMTCBI-GOSISDBHSA-N 2 0 370.541 3.984 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001167836549 948306860 /nfs/dbraw/zinc/30/68/60/948306860.db2.gz FHCBOKOQOJBQBM-QGZVFWFLSA-N 2 0 358.530 3.623 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836803 948307620 /nfs/dbraw/zinc/30/76/20/948307620.db2.gz HLSAGJUFRNJZQF-QZTJIDSGSA-N 2 0 355.567 3.876 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166694850 948335635 /nfs/dbraw/zinc/33/56/35/948335635.db2.gz MKFNHFWRIZEUSZ-LEWJYISDSA-N 3 0 353.510 3.628 20 0 FHADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OCc2ccccc2)c1 ZINC000166850898 948355115 /nfs/dbraw/zinc/35/51/15/948355115.db2.gz JCQKMWRTTVWRIJ-MQSCRBSSSA-N 2 0 366.505 3.515 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2)C1 ZINC001167842026 948373658 /nfs/dbraw/zinc/37/36/58/948373658.db2.gz VZYLLWJLPDPYBS-DBVUQKKJSA-N 2 0 364.505 3.525 20 0 FHADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512096595 948408046 /nfs/dbraw/zinc/40/80/46/948408046.db2.gz ZKKAQNYUTPIIBH-AQNXPRMDSA-N 2 0 371.569 3.940 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000520655024 948508294 /nfs/dbraw/zinc/50/82/94/948508294.db2.gz YNJCUNIYXBPCQI-RTBURBONSA-N 2 0 374.573 3.591 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C2CCCCC2)cc1 ZINC000512163082 948591756 /nfs/dbraw/zinc/59/17/56/948591756.db2.gz DPVDRHHATNMJCR-UHFFFAOYSA-N 2 0 359.558 3.913 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CCCCC2)cc1)C1CC1 ZINC000512167384 948615994 /nfs/dbraw/zinc/61/59/94/948615994.db2.gz RBDRYVRZEOTJQG-UHFFFAOYSA-N 2 0 357.542 3.665 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc4ccccc4n3)CC2)C[C@H](C)O1 ZINC000512187359 948737219 /nfs/dbraw/zinc/73/72/19/948737219.db2.gz QAMYUMJAUGAYFN-HDICACEKSA-N 2 0 353.510 3.556 20 0 FHADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536491947 948740921 /nfs/dbraw/zinc/74/09/21/948740921.db2.gz PJCNDDDKECIFIJ-HXUWFJFHSA-N 2 0 371.569 3.669 20 0 FHADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000514659525 516986288 /nfs/dbraw/zinc/98/62/88/516986288.db2.gz MDOPFGMLNIVKNV-UHFFFAOYSA-N 2 0 361.449 3.506 20 0 FHADRP CSC1(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667611 568014181 /nfs/dbraw/zinc/01/41/81/568014181.db2.gz QTFZORFPQHEUCS-FPOVZHCZSA-N 2 0 373.610 3.772 20 0 FHADRP CC(=O)Nc1ccccc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000311887058 568178021 /nfs/dbraw/zinc/17/80/21/568178021.db2.gz COQZWCCHRIDGDO-QFIPXVFZSA-N 2 0 351.494 3.647 20 0 FHADRP [NH3+]CC[C@@H]1CCCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000563149485 568295170 /nfs/dbraw/zinc/29/51/70/568295170.db2.gz FOAXSOJIHMFOJX-AWEZNQCLSA-N 2 0 368.506 3.625 20 0 FHADRP CN1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1cccc(Cl)c1 ZINC000365226328 568338927 /nfs/dbraw/zinc/33/89/27/568338927.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 2 0 361.961 3.938 20 0 FHADRP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(C)(C)C)cn3)CC2)CC1 ZINC001164617998 719035148 /nfs/dbraw/zinc/03/51/48/719035148.db2.gz QOJHHXZHOQJGSW-UHFFFAOYSA-N 2 0 373.541 3.623 20 0 FHADRP [NH3+][C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000237860718 936312254 /nfs/dbraw/zinc/31/22/54/936312254.db2.gz GIKPFFKGNSUJGQ-JOCHJYFZSA-N 2 0 365.521 3.769 20 0 FHADRP [NH3+][C@@H](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccccc1 ZINC000237889554 936328338 /nfs/dbraw/zinc/32/83/38/936328338.db2.gz STWBCABIGOOZJL-PMACEKPBSA-N 2 0 371.912 3.683 20 0 FHADRP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@H+](C)Cc1ccccc1 ZINC000583075856 937097616 /nfs/dbraw/zinc/09/76/16/937097616.db2.gz DYHRBLDNZBUDPQ-OALUTQOASA-N 2 0 363.509 3.829 20 0 FHADRP Brc1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000643545631 927411275 /nfs/dbraw/zinc/41/12/75/927411275.db2.gz UDFANAVEMUHJEP-ROUUACIJSA-N 2 0 365.315 3.569 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CC[NH+](C)CC1 ZINC000657737187 937186379 /nfs/dbraw/zinc/18/63/79/937186379.db2.gz IWLFPGOAYIQMBT-GOSISDBHSA-N 2 0 351.485 3.598 20 0 FHADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000119028035 927744909 /nfs/dbraw/zinc/74/49/09/927744909.db2.gz KFMQSMYWXXCDNY-LJQANCHMSA-N 2 0 361.549 3.543 20 0 FHADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000119027926 927744979 /nfs/dbraw/zinc/74/49/79/927744979.db2.gz KFMQSMYWXXCDNY-IBGZPJMESA-N 2 0 361.549 3.543 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510078997 927797088 /nfs/dbraw/zinc/79/70/88/927797088.db2.gz NNOZEIINWGZDDW-QHCPKHFHSA-N 2 0 357.586 3.846 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083449 927937800 /nfs/dbraw/zinc/93/78/00/927937800.db2.gz UKZBLGIBRWEUTC-RTWAWAEBSA-N 2 0 371.569 3.668 20 0 FHADRP CC[NH+]1CCC(C[N@@H+]2Cc3ccc(Br)cc3C[C@@H]2C)CC1 ZINC001208603398 928226501 /nfs/dbraw/zinc/22/65/01/928226501.db2.gz CRTBHDZURDVWOR-AWEZNQCLSA-N 2 0 351.332 3.928 20 0 FHADRP Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157683107 928430827 /nfs/dbraw/zinc/43/08/27/928430827.db2.gz PAPFVHYAAMTGRJ-FDDCHVKYSA-N 2 0 369.553 3.511 20 0 FHADRP CC/C=C\CC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001208725372 928539209 /nfs/dbraw/zinc/53/92/09/928539209.db2.gz JXVZQKQKXXHLFD-PYTPGESOSA-N 2 0 363.571 3.802 20 0 FHADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000583233314 937263732 /nfs/dbraw/zinc/26/37/32/937263732.db2.gz CSHSABHBJLDHRG-FQEVSTJZSA-N 2 0 355.530 3.611 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)ccc21 ZINC000583247131 937278479 /nfs/dbraw/zinc/27/84/79/937278479.db2.gz MLGRNHQTRFLRML-PZJWPPBQSA-N 2 0 370.541 3.718 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H]1c1cccn1C)C1CC[NH+](C)CC1 ZINC000179707520 928936277 /nfs/dbraw/zinc/93/62/77/928936277.db2.gz FOQMWZRABRIJBE-HSZRJFAPSA-N 2 0 366.553 3.893 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CC3 ZINC000180312888 929457978 /nfs/dbraw/zinc/45/79/78/929457978.db2.gz CZARLMXHHUYSHE-GUDVDZBRSA-N 2 0 369.553 3.813 20 0 FHADRP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515820 929536546 /nfs/dbraw/zinc/53/65/46/929536546.db2.gz ZLIKQRUXNRFXNK-GGAORHGYSA-N 2 0 368.521 3.611 20 0 FHADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137727416 929679736 /nfs/dbraw/zinc/67/97/36/929679736.db2.gz LPBWNRSPXKHSNK-FQEVSTJZSA-N 2 0 359.558 3.994 20 0 FHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137736414 929691223 /nfs/dbraw/zinc/69/12/23/929691223.db2.gz WJOMDMRTGZCXEI-HXUWFJFHSA-N 2 0 359.558 3.994 20 0 FHADRP Brc1csc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000071308089 929760698 /nfs/dbraw/zinc/76/06/98/929760698.db2.gz BAKPXNOUOYCLEI-UHFFFAOYSA-N 2 0 352.301 3.664 20 0 FHADRP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000275661652 929766168 /nfs/dbraw/zinc/76/61/68/929766168.db2.gz OCPWEJYOVZHBIH-HKUYNNGSSA-N 2 0 372.557 3.565 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000162904039 937360171 /nfs/dbraw/zinc/36/01/71/937360171.db2.gz XKEYXSHPJXXICM-QGZVFWFLSA-N 2 0 372.534 3.537 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000683691287 929808315 /nfs/dbraw/zinc/80/83/15/929808315.db2.gz AVVHAMQWQTYUCV-YUMYIRISSA-N 2 0 366.553 3.945 20 0 FHADRP [NH3+]CCc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000653114137 929925104 /nfs/dbraw/zinc/92/51/04/929925104.db2.gz ZOJRRJRMYNPMTA-UHFFFAOYSA-N 2 0 351.494 3.816 20 0 FHADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123316624 929984500 /nfs/dbraw/zinc/98/45/00/929984500.db2.gz YCGOWFWFLNNAHH-QGZVFWFLSA-N 2 0 355.526 3.745 20 0 FHADRP Cc1ccccc1[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001167337292 929988980 /nfs/dbraw/zinc/98/89/80/929988980.db2.gz MFGAPEOFLDGBMM-OAQYLSRUSA-N 2 0 351.538 3.806 20 0 FHADRP C[N@H+](CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000548061174 930245250 /nfs/dbraw/zinc/24/52/50/930245250.db2.gz NJDKUGZBAUOZJQ-UHFFFAOYSA-N 2 0 357.542 3.553 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064613 930268089 /nfs/dbraw/zinc/26/80/89/930268089.db2.gz KMNLTUZGOALLFX-UGKGYDQZSA-N 2 0 371.569 3.668 20 0 FHADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000683834635 930357475 /nfs/dbraw/zinc/35/74/75/930357475.db2.gz OSPCRPAIPWOIHO-NRFANRHFSA-N 2 0 371.569 3.527 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cscc2C(F)(F)F)C[C@@H](C)O1 ZINC000583410511 937424379 /nfs/dbraw/zinc/42/43/79/937424379.db2.gz RANKRAODTAOAMG-CHWSQXEVSA-N 2 0 350.450 3.746 20 0 FHADRP COC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000558510139 930573675 /nfs/dbraw/zinc/57/36/75/930573675.db2.gz YSXLODJXDWSNCB-HNNXBMFYSA-N 2 0 360.926 3.584 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927881 930639451 /nfs/dbraw/zinc/63/94/51/930639451.db2.gz PPNVHGYDEHNEEF-UHFFFAOYSA-N 2 0 362.521 3.595 20 0 FHADRP COC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125483644 930644824 /nfs/dbraw/zinc/64/48/24/930644824.db2.gz VLEVAPLYAKNLRA-HXUWFJFHSA-N 2 0 358.551 3.807 20 0 FHADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000125598803 930678555 /nfs/dbraw/zinc/67/85/55/930678555.db2.gz OIJOIIAKIQIHLG-IBGZPJMESA-N 2 0 361.549 3.544 20 0 FHADRP CCC[NH+]1CCC(Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000129795956 930689035 /nfs/dbraw/zinc/68/90/35/930689035.db2.gz SGFLCXCTMAZWOI-UHFFFAOYSA-N 2 0 372.557 3.787 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939717 930690109 /nfs/dbraw/zinc/69/01/09/930690109.db2.gz HZIYDXNZFSCZTB-NXNVCVFFSA-N 2 0 367.990 3.652 20 0 FHADRP Cc1ccccc1C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000580534964 930820301 /nfs/dbraw/zinc/82/03/01/930820301.db2.gz LBKPAVSTGKAGBV-HSZRJFAPSA-N 2 0 369.597 3.856 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H](c1ccccc1)N(C)C ZINC000471602815 930928137 /nfs/dbraw/zinc/92/81/37/930928137.db2.gz PYOJUGCHLRQTQD-YYDVJCTNSA-N 2 0 369.553 3.969 20 0 FHADRP CC(C)[NH+](CCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)C(C)C ZINC000155806704 930959807 /nfs/dbraw/zinc/95/98/07/930959807.db2.gz DORITLNHAQKHHN-OAHLLOKOSA-N 2 0 354.926 3.551 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000047978480 930966904 /nfs/dbraw/zinc/96/69/04/930966904.db2.gz JUWPWZBVFMDIST-OAQYLSRUSA-N 2 0 370.537 3.633 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312994003 931234930 /nfs/dbraw/zinc/23/49/30/931234930.db2.gz MONGDEBTTKTVFE-UGKGYDQZSA-N 2 0 360.505 3.873 20 0 FHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000580901872 931320294 /nfs/dbraw/zinc/32/02/94/931320294.db2.gz DDBOMTDWWYRWLQ-SJORKVTESA-N 2 0 356.432 3.613 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(-c3ccccn3)c2)C[C@H](C)O1 ZINC000127358417 931323585 /nfs/dbraw/zinc/32/35/85/931323585.db2.gz YNTLSXUGAGUSFH-KDURUIRLSA-N 2 0 353.510 3.728 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1OC(F)F ZINC000581131644 931598145 /nfs/dbraw/zinc/59/81/45/931598145.db2.gz OEDAWGMCGNOVPW-UWVGGRQHSA-N 2 0 351.235 3.574 20 0 FHADRP CC[N@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2ccccn2)CC1 ZINC000581134725 931606014 /nfs/dbraw/zinc/60/60/14/931606014.db2.gz YKMHDTWYZSSKJY-HXUWFJFHSA-N 2 0 370.516 3.502 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cc3c(cc2OC)OCO3)CC1)CC1CC1 ZINC000544928134 931708740 /nfs/dbraw/zinc/70/87/40/931708740.db2.gz NMHLIPWUIDMPLP-UHFFFAOYSA-N 2 0 374.525 3.758 20 0 FHADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1)C1CCC1 ZINC000581304557 931807818 /nfs/dbraw/zinc/80/78/18/931807818.db2.gz LNZHMQNJYLVNCL-PWRODBHTSA-N 2 0 355.526 3.826 20 0 FHADRP C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163157 931973653 /nfs/dbraw/zinc/97/36/53/931973653.db2.gz YTSGAYONLOXJHK-DSKINZAPSA-N 2 0 357.567 3.851 20 0 FHADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000581542506 932230693 /nfs/dbraw/zinc/23/06/93/932230693.db2.gz CWGRTDSHPWQICR-HYVJGQCMSA-N 2 0 374.488 3.779 20 0 FHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000656678100 932320491 /nfs/dbraw/zinc/32/04/91/932320491.db2.gz RSGIWBGHVXOTCJ-HXUWFJFHSA-N 2 0 352.469 3.897 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783321 932411138 /nfs/dbraw/zinc/41/11/38/932411138.db2.gz PAYQBYMKHBCIIJ-OAQYLSRUSA-N 2 0 365.521 3.969 20 0 FHADRP COc1sc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000656782796 932411900 /nfs/dbraw/zinc/41/19/00/932411900.db2.gz JTNNSVZCEPSGDG-ZDUSSCGKSA-N 2 0 373.360 3.731 20 0 FHADRP CCOc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656783980 932419874 /nfs/dbraw/zinc/41/98/74/932419874.db2.gz BTVVCCMBZSJLGC-QGZVFWFLSA-N 2 0 368.468 3.898 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000156188276 932675212 /nfs/dbraw/zinc/67/52/12/932675212.db2.gz WNKAFLVPESEBHN-KRWDZBQOSA-N 2 0 365.512 3.880 20 0 FHADRP Brc1cccc(OC2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000581944159 933093389 /nfs/dbraw/zinc/09/33/89/933093389.db2.gz UFPGVHFXIIQGBO-UHFFFAOYSA-N 2 0 367.331 3.682 20 0 FHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000510554178 933219712 /nfs/dbraw/zinc/21/97/12/933219712.db2.gz XLEUQTKIPNUTQO-QMMLZNLJSA-N 2 0 357.542 3.509 20 0 FHADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000510684651 933421572 /nfs/dbraw/zinc/42/15/72/933421572.db2.gz JBKOEHZWCZXTER-APWZRJJASA-N 2 0 372.475 3.709 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000430944366 933458439 /nfs/dbraw/zinc/45/84/39/933458439.db2.gz SZTRZGKNTOOGNJ-LBPRGKRZSA-N 2 0 364.287 3.663 20 0 FHADRP CC1CC[NH+](C[C@H](O)C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000510710710 933486522 /nfs/dbraw/zinc/48/65/22/933486522.db2.gz DTQADYFKYMZOSW-JOCHJYFZSA-N 2 0 352.522 3.501 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000430967219 933517218 /nfs/dbraw/zinc/51/72/18/933517218.db2.gz RWBUEELCRURUFC-LBPRGKRZSA-N 2 0 364.287 3.663 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952011 933560215 /nfs/dbraw/zinc/56/02/15/933560215.db2.gz UJZYTPJIBXAOCH-BBRMVZONSA-N 2 0 370.324 3.786 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000548420468 933584584 /nfs/dbraw/zinc/58/45/84/933584584.db2.gz TTXLDTBKUJEMBQ-RTWAWAEBSA-N 2 0 357.542 3.616 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000562994568 933697474 /nfs/dbraw/zinc/69/74/74/933697474.db2.gz CZKCVLOECHXGCO-MJGOQNOKSA-N 2 0 372.475 3.566 20 0 FHADRP CCN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000431034024 933718171 /nfs/dbraw/zinc/71/81/71/933718171.db2.gz MAFAUXFOIGPJEO-MPJJRAAHSA-N 2 0 371.569 3.696 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)cc1)C(C)C ZINC000510823457 933806762 /nfs/dbraw/zinc/80/67/62/933806762.db2.gz BNHCLXUOVNWRQD-MOPGFXCFSA-N 2 0 359.558 3.910 20 0 FHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684556629 933881064 /nfs/dbraw/zinc/88/10/64/933881064.db2.gz BSJOJFAQEZFXGZ-KIZRIRGWSA-N 2 0 364.537 3.688 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000548449883 933893816 /nfs/dbraw/zinc/89/38/16/933893816.db2.gz QITAXPYUXQDHLI-MSOLQXFVSA-N 2 0 359.558 3.701 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092380891 934030799 /nfs/dbraw/zinc/03/07/99/934030799.db2.gz ZYJVJQFOGOSBKR-UHFFFAOYSA-N 2 0 354.542 3.712 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000132346313 934042540 /nfs/dbraw/zinc/04/25/40/934042540.db2.gz GYOPHTDTGVIUTN-QAPCUYQASA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000092706368 934141162 /nfs/dbraw/zinc/14/11/62/934141162.db2.gz AJQIIXFLJKBVTF-OAQYLSRUSA-N 2 0 373.585 3.629 20 0 FHADRP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548486844 934161491 /nfs/dbraw/zinc/16/14/91/934161491.db2.gz MZCKYFAPZYPKRL-ICSRJNTNSA-N 2 0 362.521 3.616 20 0 FHADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090456766 934645522 /nfs/dbraw/zinc/64/55/22/934645522.db2.gz NRHNCXBSARUMAA-CHWSQXEVSA-N 2 0 357.311 3.839 20 0 FHADRP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000236633997 934755903 /nfs/dbraw/zinc/75/59/03/934755903.db2.gz NRQDHNSBLSDFLW-KNQAVFIVSA-N 2 0 371.569 3.561 20 0 FHADRP C[C@@H]([NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000154006998 934832119 /nfs/dbraw/zinc/83/21/19/934832119.db2.gz JXOVXXAXQIAWTE-VGOFRKELSA-N 2 0 362.521 3.983 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C1CCCC1 ZINC000657260439 934859976 /nfs/dbraw/zinc/85/99/76/934859976.db2.gz MLOCYHZHYOFATK-XZOQPEGZSA-N 2 0 372.553 3.534 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ncc(Cl)s3)CC2)cc1 ZINC000472071285 934943927 /nfs/dbraw/zinc/94/39/27/934943927.db2.gz BFBWOYHXOQHEMV-UHFFFAOYSA-N 2 0 365.930 3.807 20 0 FHADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963817 934987184 /nfs/dbraw/zinc/98/71/84/934987184.db2.gz WJFVNASEVVZBRU-GCJKJVERSA-N 2 0 365.521 3.543 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000431325503 935052953 /nfs/dbraw/zinc/05/29/53/935052953.db2.gz HMMIPXFCTUNKBD-VXKWHMMOSA-N 2 0 373.585 3.885 20 0 FHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657310102 935081334 /nfs/dbraw/zinc/08/13/34/935081334.db2.gz LIOACJQQKLIJSN-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc(C)s2)CC1 ZINC000105464732 935087549 /nfs/dbraw/zinc/08/75/49/935087549.db2.gz VPYPXUXWZCKNGB-AWEZNQCLSA-N 2 0 362.518 3.583 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000657310734 935092360 /nfs/dbraw/zinc/09/23/60/935092360.db2.gz RUEQFSAYVXHJMA-SFHVURJKSA-N 2 0 352.526 3.957 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000511053899 935100134 /nfs/dbraw/zinc/10/01/34/935100134.db2.gz HIYWTQYROGZCMZ-GOSISDBHSA-N 2 0 357.542 3.665 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)o1 ZINC000415006129 945080287 /nfs/dbraw/zinc/08/02/87/945080287.db2.gz PVWAKCMJRNOYSV-QFBILLFUSA-N 2 0 368.456 3.600 20 0 FHADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000472140966 935164216 /nfs/dbraw/zinc/16/42/16/935164216.db2.gz WHGSWSPNJBUUJV-UHFFFAOYSA-N 2 0 359.489 3.591 20 0 FHADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000582067776 935208944 /nfs/dbraw/zinc/20/89/44/935208944.db2.gz IWUBYZWVMURPKK-KRWDZBQOSA-N 2 0 351.494 3.741 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1NC(C)=O ZINC000157885217 935218356 /nfs/dbraw/zinc/21/83/56/935218356.db2.gz VAKZJOWENBATMI-SJORKVTESA-N 2 0 361.530 3.959 20 0 FHADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000157905138 935220279 /nfs/dbraw/zinc/22/02/79/935220279.db2.gz NMSSVBCNCMZNSC-HOTGVXAUSA-N 2 0 366.937 3.554 20 0 FHADRP CCOc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c(C)c1 ZINC000657328637 935230838 /nfs/dbraw/zinc/23/08/38/935230838.db2.gz CCYVVPOSJPQFRF-IBGZPJMESA-N 2 0 368.521 3.904 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657332954 935247485 /nfs/dbraw/zinc/24/74/85/935247485.db2.gz VNKYMFREBNNLFT-HSZRJFAPSA-N 2 0 368.521 3.984 20 0 FHADRP C[C@H](Cc1ccsc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544024231 935251587 /nfs/dbraw/zinc/25/15/87/935251587.db2.gz WDWDNZBMYDPXMW-KURKYZTESA-N 2 0 350.572 3.890 20 0 FHADRP CC(C)Cc1cccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000582196945 935393945 /nfs/dbraw/zinc/39/39/45/935393945.db2.gz BYCJLCZENKKDGN-IBGZPJMESA-N 2 0 366.553 3.883 20 0 FHADRP CC1CC[NH+](CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000158200931 935417874 /nfs/dbraw/zinc/41/78/74/935417874.db2.gz LFKPNNYAECLXGD-UHFFFAOYSA-N 2 0 369.553 3.921 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415006699 945102344 /nfs/dbraw/zinc/10/23/44/945102344.db2.gz QQDXLVDDDNUGCN-QUCCMNQESA-N 2 0 354.542 3.836 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000582268321 935470536 /nfs/dbraw/zinc/47/05/36/935470536.db2.gz IULFWUVCBUXFOZ-QGZVFWFLSA-N 2 0 366.933 3.911 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000519078249 945104332 /nfs/dbraw/zinc/10/43/32/945104332.db2.gz HWHBETADTYFWMO-RBUKOAKNSA-N 2 0 374.573 3.591 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000519078250 945104393 /nfs/dbraw/zinc/10/43/93/945104393.db2.gz HWHBETADTYFWMO-RTBURBONSA-N 2 0 374.573 3.591 20 0 FHADRP Clc1ccccc1[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000582295233 935499618 /nfs/dbraw/zinc/49/96/18/935499618.db2.gz KICSBXSQHKUNCK-NRFANRHFSA-N 2 0 372.896 3.790 20 0 FHADRP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001167985045 945107450 /nfs/dbraw/zinc/10/74/50/945107450.db2.gz TVLPMTNPTXKDLH-DAWJRCITSA-N 2 0 367.581 3.987 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC3 ZINC000657428906 935700530 /nfs/dbraw/zinc/70/05/30/935700530.db2.gz CZBSNEHZWZJIIN-MRXNPFEDSA-N 2 0 357.461 3.704 20 0 FHADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H]3CO)[nH]c2c1 ZINC000657430568 935720220 /nfs/dbraw/zinc/72/02/20/935720220.db2.gz RGYRSTYLTPSGID-QFIPXVFZSA-N 2 0 363.505 3.723 20 0 FHADRP COc1ccccc1[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC(C)C ZINC000657436672 935741729 /nfs/dbraw/zinc/74/17/29/935741729.db2.gz AQCVVWROUUPQBJ-NRFANRHFSA-N 2 0 366.465 3.532 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000159137051 935801396 /nfs/dbraw/zinc/80/13/96/935801396.db2.gz CKKFURGDZJINCO-JKSUJKDBSA-N 2 0 361.555 3.879 20 0 FHADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159144825 935802462 /nfs/dbraw/zinc/80/24/62/935802462.db2.gz JXIGPVUVZFRSFL-KRWDZBQOSA-N 2 0 364.493 3.739 20 0 FHADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000657452840 935809986 /nfs/dbraw/zinc/80/99/86/935809986.db2.gz KPDBLYTUOPFTSC-DENIHFKCSA-N 2 0 368.521 3.712 20 0 FHADRP c1cnc(Oc2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2)cn1 ZINC000152689022 935813020 /nfs/dbraw/zinc/81/30/20/935813020.db2.gz DYZDJEVPCASEPC-UHFFFAOYSA-N 2 0 352.482 3.577 20 0 FHADRP CC1(C)C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CN1Cc1ccccc1 ZINC000684931809 935859958 /nfs/dbraw/zinc/85/99/58/935859958.db2.gz FKOHTSRUDBPMLD-LJQANCHMSA-N 2 0 370.566 3.755 20 0 FHADRP CSC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH+](C)CC1 ZINC000582611141 935870913 /nfs/dbraw/zinc/87/09/13/935870913.db2.gz OLUVSRFALNGTKJ-UHFFFAOYSA-N 2 0 350.425 3.762 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439970902 945134045 /nfs/dbraw/zinc/13/40/45/945134045.db2.gz ILQXDCIWZIUZPC-XMSQKQJNSA-N 2 0 369.553 3.735 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c2ccccc12 ZINC000657535143 935972034 /nfs/dbraw/zinc/97/20/34/935972034.db2.gz GKNVDTURUDQONX-UHFFFAOYSA-N 2 0 368.521 3.829 20 0 FHADRP c1nc(-c2ccccc2)sc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535101 935972463 /nfs/dbraw/zinc/97/24/63/935972463.db2.gz DGRZXCKIPJEFGJ-UHFFFAOYSA-N 2 0 371.550 3.791 20 0 FHADRP c1cncc(-c2cccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c2)c1 ZINC000657535511 935973304 /nfs/dbraw/zinc/97/33/04/935973304.db2.gz NWIFWCBFLMPLIG-UHFFFAOYSA-N 2 0 365.521 3.729 20 0 FHADRP Cc1nc2ccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cc2s1 ZINC000657537476 935975783 /nfs/dbraw/zinc/97/57/83/935975783.db2.gz MIWOHKXRWHOVBM-UHFFFAOYSA-N 2 0 359.539 3.585 20 0 FHADRP c1ccc(C[C@H]2CC[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC000657537369 935976005 /nfs/dbraw/zinc/97/60/05/935976005.db2.gz IUYHATJZSBTGRY-YADHBBJMSA-N 2 0 356.554 3.878 20 0 FHADRP c1cc(-c2ccccc2)oc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536836 935976722 /nfs/dbraw/zinc/97/67/22/935976722.db2.gz QRIAAUZQFGVZBV-UHFFFAOYSA-N 2 0 354.494 3.927 20 0 FHADRP CCCCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536668 935976727 /nfs/dbraw/zinc/97/67/27/935976727.db2.gz MXCXKCPFGFSQRN-UHFFFAOYSA-N 2 0 360.542 3.846 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4cccnc4)c3)cc2)C1 ZINC000657598062 936080477 /nfs/dbraw/zinc/08/04/77/936080477.db2.gz XQGIUIIBNMWYHM-DEOSSOPVSA-N 2 0 373.500 3.605 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3Cl)cc2)C1 ZINC000657597700 936081056 /nfs/dbraw/zinc/08/10/56/936081056.db2.gz WUJOBYQYLFNNHS-GOSISDBHSA-N 2 0 365.304 3.850 20 0 FHADRP COc1cc2cccnc2c(N(c2[nH+]ccc(N)c2C)[C@@H](C)CCC[NH3+])c1 ZINC001167611775 936083002 /nfs/dbraw/zinc/08/30/02/936083002.db2.gz LHYKDJYUXRLPII-AWEZNQCLSA-N 2 0 365.481 3.795 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237484932 936086228 /nfs/dbraw/zinc/08/62/28/936086228.db2.gz VXZODVUYAXHCGH-SIKLNZKXSA-N 2 0 371.569 3.705 20 0 FHADRP c1cc(C[NH+]2CCC(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)ccn1 ZINC000657613220 936093329 /nfs/dbraw/zinc/09/33/29/936093329.db2.gz IYAXMYFTPFEROA-UHFFFAOYSA-N 3 0 370.585 3.680 20 0 FHADRP CC[NH+](CC)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120344596 936214376 /nfs/dbraw/zinc/21/43/76/936214376.db2.gz ACYPTVLIBFLCOX-CQSZACIVSA-N 2 0 359.436 3.744 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161545272 936267110 /nfs/dbraw/zinc/26/71/10/936267110.db2.gz RLFVREKMWRCEKX-UHFFFAOYSA-N 2 0 370.493 3.687 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271515 936267707 /nfs/dbraw/zinc/26/77/07/936267707.db2.gz BWCKUHMUPNVYHD-QAPCUYQASA-N 2 0 356.457 3.782 20 0 FHADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000120934821 936272891 /nfs/dbraw/zinc/27/28/91/936272891.db2.gz PCTBTDFVLMCGHK-CABCVRRESA-N 2 0 371.447 3.744 20 0 FHADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000078804623 936280548 /nfs/dbraw/zinc/28/05/48/936280548.db2.gz SHHCICOBXWMTBH-OXJNMPFZSA-N 2 0 368.949 3.583 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414962934 945156779 /nfs/dbraw/zinc/15/67/79/945156779.db2.gz TVNPUNPKNAJYSC-DNVCBOLYSA-N 2 0 358.457 3.501 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000519601233 945160001 /nfs/dbraw/zinc/16/00/01/945160001.db2.gz FVNAEFVEKODEFA-IBGZPJMESA-N 2 0 371.569 3.613 20 0 FHADRP COc1ccc2[nH]cc(C3=CC[N@H+](CCCn4ccnc4C)CC3)c2c1 ZINC000127421543 938268994 /nfs/dbraw/zinc/26/89/94/938268994.db2.gz JAYFWGDSAOKEHP-UHFFFAOYSA-N 2 0 350.466 3.861 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000635003766 938278728 /nfs/dbraw/zinc/27/87/28/938278728.db2.gz BLQBJFQXORZFSH-SHTZXODSSA-N 2 0 353.913 3.551 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706768 938286636 /nfs/dbraw/zinc/28/66/36/938286636.db2.gz RWMISOSQFSGIGH-CMKODMSKSA-N 2 0 371.550 3.837 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)C1 ZINC000650705946 938286911 /nfs/dbraw/zinc/28/69/11/938286911.db2.gz AVAUKSGFCKNGSA-AHIWAGSCSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000650707986 938287764 /nfs/dbraw/zinc/28/77/64/938287764.db2.gz RDESILMCWLGJTD-KSZLIROESA-N 2 0 357.523 3.528 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000650719365 938307307 /nfs/dbraw/zinc/30/73/07/938307307.db2.gz NUUDLVHPDWENRT-INIZCTEOSA-N 2 0 373.928 3.586 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cs2)cc1 ZINC000650722978 938310080 /nfs/dbraw/zinc/31/00/80/938310080.db2.gz FPFPQNFAYLLHKY-DFQSSKMNSA-N 2 0 371.550 3.979 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724143 938311236 /nfs/dbraw/zinc/31/12/36/938311236.db2.gz YQYHBMWSHHCHNZ-QYZOEREBSA-N 2 0 359.901 3.749 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C(F)(F)F ZINC000650725284 938313505 /nfs/dbraw/zinc/31/35/05/938313505.db2.gz XLHNRRUSLYGPMC-NXHRZFHOSA-N 2 0 356.432 3.875 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000246371916 938360678 /nfs/dbraw/zinc/36/06/78/938360678.db2.gz OCJUIOKLHPWDCR-PGRDOPGGSA-N 2 0 365.521 3.625 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745394 938371435 /nfs/dbraw/zinc/37/14/35/938371435.db2.gz FRZHXGOMOINAQH-IAQYHMDHSA-N 2 0 355.345 3.951 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)c(F)c1 ZINC000650753900 938407385 /nfs/dbraw/zinc/40/73/85/938407385.db2.gz XQKWFXQSQDZLGA-QGZVFWFLSA-N 2 0 354.347 3.960 20 0 FHADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000583800916 938416272 /nfs/dbraw/zinc/41/62/72/938416272.db2.gz VNWJCHNREFAQKT-UHFFFAOYSA-N 2 0 356.514 3.600 20 0 FHADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000583800351 938418848 /nfs/dbraw/zinc/41/88/48/938418848.db2.gz OYUSSLRDIYAWEY-IBGZPJMESA-N 2 0 352.526 3.703 20 0 FHADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)N2 ZINC000650759952 938432530 /nfs/dbraw/zinc/43/25/30/938432530.db2.gz UPUREZGQHMZLAG-AAIMPIBUSA-N 2 0 363.505 3.649 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+]CCC1CC[NH2+]CC1)C1CC1 ZINC000650761665 938442163 /nfs/dbraw/zinc/44/21/63/938442163.db2.gz GXJADLNZNQJEOT-SFHVURJKSA-N 2 0 351.332 3.750 20 0 FHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583865958 938458992 /nfs/dbraw/zinc/45/89/92/938458992.db2.gz YYSISCBMQXYMTE-OHEPNIRZSA-N 2 0 368.525 3.853 20 0 FHADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000583920764 938487331 /nfs/dbraw/zinc/48/73/31/938487331.db2.gz GGSZBFPLQOUSAF-MJUUVYJYSA-N 2 0 369.578 3.818 20 0 FHADRP CC[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1F ZINC000583958654 938504709 /nfs/dbraw/zinc/50/47/09/938504709.db2.gz WDSHVUHLZRFETB-LJQANCHMSA-N 2 0 363.452 3.931 20 0 FHADRP c1ccc(CN2CC[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC23CC3)cc1 ZINC000657816708 938532267 /nfs/dbraw/zinc/53/22/67/938532267.db2.gz ZHUKHTWULHQNIC-HSZRJFAPSA-N 2 0 367.581 3.895 20 0 FHADRP OCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000647322434 938599947 /nfs/dbraw/zinc/59/99/47/938599947.db2.gz VXFZTVNPCDPOGV-ZLNRFVROSA-N 2 0 350.506 3.712 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000584108213 938600392 /nfs/dbraw/zinc/60/03/92/938600392.db2.gz RTOBDIZMVBOIHD-APWZRJJASA-N 2 0 372.538 3.720 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000584108216 938600824 /nfs/dbraw/zinc/60/08/24/938600824.db2.gz RTOBDIZMVBOIHD-VQIMIIECSA-N 2 0 372.538 3.720 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000657828806 938605690 /nfs/dbraw/zinc/60/56/90/938605690.db2.gz XSZWODGLDPJFPF-HSZRJFAPSA-N 2 0 374.569 3.840 20 0 FHADRP CCOC1CCC([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000657829376 938607214 /nfs/dbraw/zinc/60/72/14/938607214.db2.gz ZGOOZUKMJGSXHE-OTXOEQGISA-N 2 0 360.542 3.733 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000584232148 938651112 /nfs/dbraw/zinc/65/11/12/938651112.db2.gz GWZHJAPVMVGVRV-UHFFFAOYSA-N 2 0 367.541 3.882 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000657838686 938673727 /nfs/dbraw/zinc/67/37/27/938673727.db2.gz XGNZFFLOXSBUPO-QHCPKHFHSA-N 2 0 374.569 3.840 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(OCc2ccccc2)c1 ZINC000151788723 938677167 /nfs/dbraw/zinc/67/71/67/938677167.db2.gz VUZDBYCLVGGODR-LJQANCHMSA-N 2 0 368.521 3.621 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000151793794 938681263 /nfs/dbraw/zinc/68/12/63/938681263.db2.gz SCXAWYRTTSTTQD-ZDUSSCGKSA-N 2 0 363.354 3.726 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H]3CCCn4nccc43)cc2)C1 ZINC000657839298 938691719 /nfs/dbraw/zinc/69/17/19/938691719.db2.gz RAMCCJOFKNQLHL-OPYAIIAOSA-N 2 0 352.526 3.986 20 0 FHADRP Fc1ccc(OC(F)F)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000668730478 938698756 /nfs/dbraw/zinc/69/87/56/938698756.db2.gz OLJUUOAZUFTFST-UHFFFAOYSA-N 2 0 351.372 3.581 20 0 FHADRP CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000151866181 938798100 /nfs/dbraw/zinc/79/81/00/938798100.db2.gz XUWLYHAXNANUJW-SFHVURJKSA-N 2 0 358.448 3.841 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2)n1 ZINC000081633728 938800211 /nfs/dbraw/zinc/80/02/11/938800211.db2.gz ARGAYZSXPPFSJA-NRFANRHFSA-N 2 0 352.526 3.653 20 0 FHADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1F ZINC000545589783 945206707 /nfs/dbraw/zinc/20/67/07/945206707.db2.gz DBRTWWXEGNDRSJ-IEBWSBKVSA-N 2 0 350.522 3.971 20 0 FHADRP CO[C@@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000584414924 938834243 /nfs/dbraw/zinc/83/42/43/938834243.db2.gz OFAQJPBFXZOXIO-JQVVWYNYSA-N 2 0 360.542 3.585 20 0 FHADRP C[C@@H](c1ccncc1)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090667800 938882020 /nfs/dbraw/zinc/88/20/20/938882020.db2.gz ZDVFZSVFKWHLMI-IBGZPJMESA-N 2 0 370.585 3.994 20 0 FHADRP CC(C)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091333422 938900166 /nfs/dbraw/zinc/90/01/66/938900166.db2.gz IVGWPHGNKRMPKX-QAPCUYQASA-N 2 0 357.464 3.628 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000143606207 938950051 /nfs/dbraw/zinc/95/00/51/938950051.db2.gz FKCDJJRSYMZIQA-LJQANCHMSA-N 2 0 371.550 3.767 20 0 FHADRP c1ccc(C(c2ccccc2)[NH+]2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000207220217 938963246 /nfs/dbraw/zinc/96/32/46/938963246.db2.gz HBOWPXFEJMZFMN-UHFFFAOYSA-N 2 0 363.549 3.880 20 0 FHADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343691 938978876 /nfs/dbraw/zinc/97/88/76/938978876.db2.gz AFGMOZAZDSLDFY-AAIMPIBUSA-N 2 0 368.521 3.708 20 0 FHADRP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685442262 938986818 /nfs/dbraw/zinc/98/68/18/938986818.db2.gz NXPUTMNXXNEQQH-FPOVZHCZSA-N 2 0 360.542 3.677 20 0 FHADRP CC(C)C[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457381 938987826 /nfs/dbraw/zinc/98/78/26/938987826.db2.gz BKNPVHWFPSVHTN-FYYLOGMGSA-N 2 0 357.586 3.917 20 0 FHADRP C[N@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457403 938987875 /nfs/dbraw/zinc/98/78/75/938987875.db2.gz BTSZJTOXSIEJAF-FQEVSTJZSA-N 2 0 353.510 3.547 20 0 FHADRP CCCCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457302 938987880 /nfs/dbraw/zinc/98/78/80/938987880.db2.gz ALFPKDOXYIVANP-JOCHJYFZSA-N 2 0 373.585 3.856 20 0 FHADRP C[N@H+](CCCc1c(F)cccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457488 938987935 /nfs/dbraw/zinc/98/79/35/938987935.db2.gz CQMZBQXBRLSAHZ-QGZVFWFLSA-N 2 0 367.940 3.512 20 0 FHADRP CCCN(CC[NH+]1CCCCCC1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000685476217 938989973 /nfs/dbraw/zinc/98/99/73/938989973.db2.gz IFHUNLWZXRWBTG-UHFFFAOYSA-N 2 0 355.530 3.664 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2ccncc2s1 ZINC000657925462 939007818 /nfs/dbraw/zinc/00/78/18/939007818.db2.gz NVGIBTCUKGELEX-JCGIZDLHSA-N 2 0 359.539 3.715 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657969709 939013496 /nfs/dbraw/zinc/01/34/96/939013496.db2.gz UDZAHVXPPNAPBB-JXFKEZNVSA-N 2 0 365.477 3.635 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3nccs3)CC2)c1 ZINC000093371905 939015925 /nfs/dbraw/zinc/01/59/25/939015925.db2.gz JMTIIJSQVRAMEJ-GOSISDBHSA-N 2 0 358.555 3.705 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cnc2ccsc2c1 ZINC000658066956 939021526 /nfs/dbraw/zinc/02/15/26/939021526.db2.gz HSARXTAIRSGDMB-HNNXBMFYSA-N 2 0 359.539 3.838 20 0 FHADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCCO2 ZINC000658067624 939021596 /nfs/dbraw/zinc/02/15/96/939021596.db2.gz OIPGSRLWQBXODK-QFIPXVFZSA-N 2 0 372.553 3.998 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070835 939021814 /nfs/dbraw/zinc/02/18/14/939021814.db2.gz RSBCCYNDQILNLV-OAHLLOKOSA-N 2 0 368.924 3.891 20 0 FHADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658071673 939021901 /nfs/dbraw/zinc/02/19/01/939021901.db2.gz XPMKIGJJNFKIFI-MRXNPFEDSA-N 2 0 366.496 3.767 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nccc2ccccc21 ZINC000658071099 939021970 /nfs/dbraw/zinc/02/19/70/939021970.db2.gz UKCHQEYFTZNNNC-QGZVFWFLSA-N 2 0 353.510 3.776 20 0 FHADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658136756 939030945 /nfs/dbraw/zinc/03/09/45/939030945.db2.gz FBLDIKBHCWJHCT-DNVCBOLYSA-N 2 0 374.912 3.766 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141272 939035680 /nfs/dbraw/zinc/03/56/80/939035680.db2.gz SKTBIFSBCSDIKZ-KBXCAEBGSA-N 2 0 362.876 3.897 20 0 FHADRP C[C@H](CCc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143159 939035903 /nfs/dbraw/zinc/03/59/03/939035903.db2.gz XGAQYEVDNYLJHH-DYESRHJHSA-N 2 0 356.485 3.503 20 0 FHADRP Cc1ccc(C2CC([NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)C2)cc1 ZINC000658136298 939039982 /nfs/dbraw/zinc/03/99/82/939039982.db2.gz GMXIPQAXKYZKKK-XPPIMPSXSA-N 2 0 350.506 3.597 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137166 939040662 /nfs/dbraw/zinc/04/06/62/939040662.db2.gz JHVYIPCEPPNIIN-FCHUYYIVSA-N 2 0 354.469 3.633 20 0 FHADRP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C(C)C)cc1 ZINC000658137628 939040971 /nfs/dbraw/zinc/04/09/71/939040971.db2.gz KUCWNZQEWBOTKH-FYYLOGMGSA-N 2 0 368.521 3.749 20 0 FHADRP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138657 939041597 /nfs/dbraw/zinc/04/15/97/939041597.db2.gz OELANUVPGJKZSK-UWJYYQICSA-N 2 0 364.489 3.720 20 0 FHADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138725 939041973 /nfs/dbraw/zinc/04/19/73/939041973.db2.gz KCCJOPRDKXAOFC-HTAPYJJXSA-N 2 0 356.485 3.503 20 0 FHADRP Cc1cc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CC2)ccc1F ZINC000658139630 939042951 /nfs/dbraw/zinc/04/29/51/939042951.db2.gz QPYAVTYRELLACB-FYYLOGMGSA-N 2 0 368.496 3.942 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)[C@@H](C)C2 ZINC000658139393 939043470 /nfs/dbraw/zinc/04/34/70/939043470.db2.gz QDZBBALSNIRTIS-JWNTYJGQSA-N 2 0 350.506 3.585 20 0 FHADRP C[C@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658162166 939051677 /nfs/dbraw/zinc/05/16/77/939051677.db2.gz CBRGIAJKXVGANY-LJQANCHMSA-N 2 0 352.526 3.690 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc2cnccc2o1 ZINC000658164208 939052498 /nfs/dbraw/zinc/05/24/98/939052498.db2.gz MVBNZAGWKQMXPS-MRXNPFEDSA-N 2 0 350.466 3.786 20 0 FHADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165394 939053332 /nfs/dbraw/zinc/05/33/32/939053332.db2.gz JIBKYYAJUILGOU-NRFANRHFSA-N 2 0 351.494 3.797 20 0 FHADRP Fc1cncc([C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C2CC2)c1 ZINC000658166821 939053772 /nfs/dbraw/zinc/05/37/72/939053772.db2.gz PKDZJWPBRVPRHS-NRFANRHFSA-N 2 0 354.473 3.569 20 0 FHADRP COc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658167224 939054897 /nfs/dbraw/zinc/05/48/97/939054897.db2.gz QTNHNIFLZBOQAZ-SFHVURJKSA-N 2 0 353.510 3.523 20 0 FHADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506023488 945226541 /nfs/dbraw/zinc/22/65/41/945226541.db2.gz YSRFKWUVNRYZIU-MRXNPFEDSA-N 2 0 352.469 3.850 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)[C@H]2CCC[C@H]21 ZINC000658317447 939109656 /nfs/dbraw/zinc/10/96/56/939109656.db2.gz LCLVVIXZVOHAET-BXXSPATCSA-N 2 0 367.581 3.751 20 0 FHADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320049 939110551 /nfs/dbraw/zinc/11/05/51/939110551.db2.gz NAPAWWYTTMROSU-FXAWDEMLSA-N 2 0 352.526 3.681 20 0 FHADRP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319973 939110773 /nfs/dbraw/zinc/11/07/73/939110773.db2.gz KUAZZBGTDSIHRK-NHCUHLMSSA-N 2 0 352.526 3.763 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000658337913 939115549 /nfs/dbraw/zinc/11/55/49/939115549.db2.gz AUKQLFZDPNVWHZ-YOSAUDMPSA-N 2 0 366.549 3.836 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](CC4CC4)CC2)C3)cc1 ZINC000658355671 939125048 /nfs/dbraw/zinc/12/50/48/939125048.db2.gz KIHZNRINPXCQDA-BKFWDETESA-N 3 0 367.581 3.894 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OCc1ccc(F)cc1 ZINC000414968412 945229470 /nfs/dbraw/zinc/22/94/70/945229470.db2.gz IAHZWMPPHVGWAJ-OAQYLSRUSA-N 2 0 372.484 3.891 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000427297161 945260477 /nfs/dbraw/zinc/26/04/77/945260477.db2.gz YEBBXVLTKMOXIQ-RBUKOAKNSA-N 2 0 357.542 3.546 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414972732 945280338 /nfs/dbraw/zinc/28/03/38/945280338.db2.gz MWCAETOEHZTVHP-KGLIPLIRSA-N 2 0 357.420 3.544 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414972734 945280921 /nfs/dbraw/zinc/28/09/21/945280921.db2.gz MWCAETOEHZTVHP-UONOGXRCSA-N 2 0 357.420 3.544 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427319853 945282213 /nfs/dbraw/zinc/28/22/13/945282213.db2.gz JUMDECQGQOJNCL-VAMGGRTRSA-N 2 0 371.569 3.561 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000438981058 945285750 /nfs/dbraw/zinc/28/57/50/945285750.db2.gz AZUDPIYEAYZYAK-KRWDZBQOSA-N 2 0 361.530 3.960 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000507511087 945290481 /nfs/dbraw/zinc/29/04/81/945290481.db2.gz NQVHNKAXDRVTOG-LJQANCHMSA-N 2 0 366.553 3.632 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220809 940032153 /nfs/dbraw/zinc/03/21/53/940032153.db2.gz FSBTWFRJDWXLLR-HDICACEKSA-N 2 0 367.578 3.734 20 0 FHADRP CCN(CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000628279274 940151729 /nfs/dbraw/zinc/15/17/29/940151729.db2.gz CEPQVSKUZCNVRL-UHFFFAOYSA-N 2 0 371.348 3.674 20 0 FHADRP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000413837907 940170709 /nfs/dbraw/zinc/17/07/09/940170709.db2.gz RWKSXBLHKDEZSJ-LJQANCHMSA-N 2 0 369.553 3.619 20 0 FHADRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135134 945312793 /nfs/dbraw/zinc/31/27/93/945312793.db2.gz HLDKDVAXFZJERA-GOSISDBHSA-N 2 0 364.530 3.875 20 0 FHADRP CN(CC[N@H+](C)Cc1cccc(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000515093434 940456064 /nfs/dbraw/zinc/45/60/64/940456064.db2.gz LERQKNZDTNCOBA-UHFFFAOYSA-N 2 0 351.538 3.811 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054387 940462281 /nfs/dbraw/zinc/46/22/81/940462281.db2.gz BLGUJSFYZBFBSU-CTNGQTDRSA-N 2 0 363.977 3.983 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749836 940467205 /nfs/dbraw/zinc/46/72/05/940467205.db2.gz FAJKPYGWXNBFJK-ZVDOUQERSA-N 2 0 363.590 3.658 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000431777751 940494427 /nfs/dbraw/zinc/49/44/27/940494427.db2.gz CBNKSVMGNKCUBR-VQTJNVASSA-N 2 0 369.509 3.534 20 0 FHADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1C ZINC000163514013 940500441 /nfs/dbraw/zinc/50/04/41/940500441.db2.gz ICNWULDREIOWQF-SFHVURJKSA-N 2 0 359.558 3.581 20 0 FHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000414173062 940709269 /nfs/dbraw/zinc/70/92/69/940709269.db2.gz FKCXKVNKZWLMMS-AHRSYUTCSA-N 2 0 350.934 3.752 20 0 FHADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000414174673 940711837 /nfs/dbraw/zinc/71/18/37/940711837.db2.gz GSHVLWKSKZULMU-DENIHFKCSA-N 2 0 353.510 3.696 20 0 FHADRP COc1cccc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000414177449 940716549 /nfs/dbraw/zinc/71/65/49/940716549.db2.gz IYJMFZILTFYDDY-MYGLTJDJSA-N 2 0 362.517 3.948 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)cc1 ZINC000892571931 940806123 /nfs/dbraw/zinc/80/61/23/940806123.db2.gz RYIMSUHXPICURF-QGZVFWFLSA-N 2 0 352.526 3.962 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3C3CC3)cc2)C1 ZINC000892574457 940816854 /nfs/dbraw/zinc/81/68/54/940816854.db2.gz KFPZFSAUNXXRGL-QGZVFWFLSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000414301050 940916602 /nfs/dbraw/zinc/91/66/02/940916602.db2.gz VLDXGJCHZQMILX-PIPMEXSNSA-N 2 0 356.485 3.544 20 0 FHADRP OC1(C[NH2+]C2CCc3ccccc3CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414304285 940923686 /nfs/dbraw/zinc/92/36/86/940923686.db2.gz MDCSFJPBHVSMJF-UHFFFAOYSA-N 2 0 364.533 3.551 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000414313917 940947475 /nfs/dbraw/zinc/94/74/75/940947475.db2.gz YZOKMTKBVVZSAF-IBGZPJMESA-N 2 0 368.521 3.681 20 0 FHADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335044 940997391 /nfs/dbraw/zinc/99/73/91/940997391.db2.gz XSWUUCUCABMGNP-GOSISDBHSA-N 2 0 365.521 3.543 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1C(C)(C)C1(C)C ZINC000414335711 940998232 /nfs/dbraw/zinc/99/82/32/940998232.db2.gz YIZKYZJGGNXJAA-INIZCTEOSA-N 2 0 371.569 3.544 20 0 FHADRP Cc1nc2ccccc2n1CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662699 945367093 /nfs/dbraw/zinc/36/70/93/945367093.db2.gz LNOVMPIGDMQPAR-QFIPXVFZSA-N 2 0 354.542 3.933 20 0 FHADRP CC(C)CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414345445 941014579 /nfs/dbraw/zinc/01/45/79/941014579.db2.gz TUACWZVCEBSGQU-QFIPXVFZSA-N 2 0 371.569 3.688 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000647543622 941065510 /nfs/dbraw/zinc/06/55/10/941065510.db2.gz QIUUFMDZHKHCJU-OALUTQOASA-N 2 0 352.526 3.607 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000647548435 941070325 /nfs/dbraw/zinc/07/03/25/941070325.db2.gz AKYYDEKKGIHROM-HGTKMLMNSA-N 2 0 369.372 3.907 20 0 FHADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423357779 941091188 /nfs/dbraw/zinc/09/11/88/941091188.db2.gz AREAFVZLXFYUMC-SQNIBIBYSA-N 2 0 367.331 3.776 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423392444 941095539 /nfs/dbraw/zinc/09/55/39/941095539.db2.gz QEKAOGIIXAHYII-BBWFWOEESA-N 2 0 355.320 3.776 20 0 FHADRP COc1cccc2c1OC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3C)CC1)C2 ZINC000164572545 941123830 /nfs/dbraw/zinc/12/38/30/941123830.db2.gz DSBDLLGEBRCFJI-PWIZWCRZSA-N 2 0 358.526 3.631 20 0 FHADRP COc1cccc2c1OC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3C)CC1)C2 ZINC000164572421 941123847 /nfs/dbraw/zinc/12/38/47/941123847.db2.gz DSBDLLGEBRCFJI-NSISKUIASA-N 2 0 358.526 3.631 20 0 FHADRP CN(C)c1ccc(N2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)cc1 ZINC000164632538 941125916 /nfs/dbraw/zinc/12/59/16/941125916.db2.gz ZPWVBVXFPUVZKJ-UHFFFAOYSA-N 2 0 372.601 3.967 20 0 FHADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000377300057 941128404 /nfs/dbraw/zinc/12/84/04/941128404.db2.gz SSCLILHSACHHOP-KSZLIROESA-N 2 0 356.432 3.598 20 0 FHADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000659274711 941142579 /nfs/dbraw/zinc/14/25/79/941142579.db2.gz QFTKVOLXBULICY-JOCHJYFZSA-N 2 0 363.505 3.523 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000311300382 941225901 /nfs/dbraw/zinc/22/59/01/941225901.db2.gz HINLEXOHJFBEHT-AEFFLSMTSA-N 2 0 365.562 3.629 20 0 FHADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000589209756 941241602 /nfs/dbraw/zinc/24/16/02/941241602.db2.gz WIDOMSYFTMRTTI-RBUKOAKNSA-N 2 0 374.573 3.591 20 0 FHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121021 941255443 /nfs/dbraw/zinc/25/54/43/941255443.db2.gz LTHDDHGSBGDLQD-ZFWWWQNUSA-N 2 0 357.311 3.841 20 0 FHADRP [NH3+]C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000178741631 941300168 /nfs/dbraw/zinc/30/01/68/941300168.db2.gz NOSVOCDIDXPOQY-NRFANRHFSA-N 2 0 351.494 3.744 20 0 FHADRP O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498791 941314813 /nfs/dbraw/zinc/31/48/13/941314813.db2.gz LGKZMQKDUOJQHR-FXAWDEMLSA-N 2 0 360.448 3.500 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503768 941315290 /nfs/dbraw/zinc/31/52/90/941315290.db2.gz FTPKQWWUFBYDCN-WIYYLYMNSA-N 2 0 352.522 3.914 20 0 FHADRP C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376639036 941370372 /nfs/dbraw/zinc/37/03/72/941370372.db2.gz ZOHCZWPHHIAFSN-JPYJTQIMSA-N 2 0 361.533 3.714 20 0 FHADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000580232938 941413614 /nfs/dbraw/zinc/41/36/14/941413614.db2.gz DSQQRGQLEUACHY-MOPGFXCFSA-N 2 0 361.549 3.543 20 0 FHADRP FC(F)(F)[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000376831977 941443553 /nfs/dbraw/zinc/44/35/53/941443553.db2.gz TZKRUWQUAXXDPV-RTBURBONSA-N 2 0 370.459 3.641 20 0 FHADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000376831975 941443585 /nfs/dbraw/zinc/44/35/85/941443585.db2.gz TZKRUWQUAXXDPV-RBUKOAKNSA-N 2 0 370.459 3.641 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000415018658 941544520 /nfs/dbraw/zinc/54/45/20/941544520.db2.gz UXBAXCMWBVWHIW-CYBMUJFWSA-N 2 0 353.919 3.983 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415019761 941544934 /nfs/dbraw/zinc/54/49/34/941544934.db2.gz ISAJWZAVAKHBGS-NSHDSACASA-N 2 0 354.317 3.790 20 0 FHADRP CC(=O)N(c1nc(C[NH2+][C@@H](C)CCCC[NH3+])cs1)c1ccc(C)cc1 ZINC000415021275 941545377 /nfs/dbraw/zinc/54/53/77/941545377.db2.gz YDZNIUREKNMMSS-HNNXBMFYSA-N 2 0 360.527 3.743 20 0 FHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000415020509 941546038 /nfs/dbraw/zinc/54/60/38/941546038.db2.gz GPTRLJNQWVMIKD-BXWFABGCSA-N 2 0 366.933 3.753 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000415032647 941556358 /nfs/dbraw/zinc/55/63/58/941556358.db2.gz IBJGXNQMPXGKDH-SIKLNZKXSA-N 2 0 360.505 3.815 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000415033772 941557625 /nfs/dbraw/zinc/55/76/25/941557625.db2.gz JIPCLFAKZXRZRS-DOTOQJQBSA-N 2 0 352.507 3.818 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415037846 941558599 /nfs/dbraw/zinc/55/85/99/941558599.db2.gz MQLDQQBEUGMQSW-AZUAARDMSA-N 2 0 354.494 3.881 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415050779 941567412 /nfs/dbraw/zinc/56/74/12/941567412.db2.gz YQVPEUCNSZKYCG-MFKMUULPSA-N 2 0 363.246 3.576 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000415050778 941567642 /nfs/dbraw/zinc/56/76/42/941567642.db2.gz YQVPEUCNSZKYCG-GXFFZTMASA-N 2 0 363.246 3.576 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000415046006 941569454 /nfs/dbraw/zinc/56/94/54/941569454.db2.gz CEYRXXGUYXVRQQ-VXKWHMMOSA-N 2 0 354.494 3.814 20 0 FHADRP Fc1ccc(-c2ccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)s2)cc1 ZINC000415058502 941570373 /nfs/dbraw/zinc/57/03/73/941570373.db2.gz TTWBZCZCIJXUQP-UHFFFAOYSA-N 2 0 373.541 3.860 20 0 FHADRP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059534 941570864 /nfs/dbraw/zinc/57/08/64/941570864.db2.gz XCXLVRJUPKTAIZ-CVEARBPZSA-N 2 0 354.441 3.651 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000415060223 941571739 /nfs/dbraw/zinc/57/17/39/941571739.db2.gz YMWIQZSWZFUEFK-KNQAVFIVSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NCc1cc(Br)ccc1OC(F)F ZINC000415073981 941589337 /nfs/dbraw/zinc/58/93/37/941589337.db2.gz BPSOBAQWDPJYFV-GWCFXTLKSA-N 2 0 363.246 3.671 20 0 FHADRP O=C1[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078810 941590968 /nfs/dbraw/zinc/59/09/68/941590968.db2.gz HBJROFOLQQNBCU-BHIYHBOVSA-N 2 0 369.896 3.528 20 0 FHADRP C[C@H]1C[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000415078640 941590980 /nfs/dbraw/zinc/59/09/80/941590980.db2.gz GSMREFYKYYNZRP-LSDHHAIUSA-N 2 0 370.368 3.936 20 0 FHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415088458 941597218 /nfs/dbraw/zinc/59/72/18/941597218.db2.gz MAYUEOIRUZAIPO-CRAIPNDOSA-N 2 0 370.459 3.874 20 0 FHADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000415092456 941601676 /nfs/dbraw/zinc/60/16/76/941601676.db2.gz AQXYOJVCCPGNCD-FYYLOGMGSA-N 2 0 364.537 3.734 20 0 FHADRP CC(C)Oc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415125877 941615953 /nfs/dbraw/zinc/61/59/53/941615953.db2.gz FOHHHVHWDVTQTL-UHFFFAOYSA-N 2 0 367.537 3.557 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c2ccccc12 ZINC000415122869 941619107 /nfs/dbraw/zinc/61/91/07/941619107.db2.gz IUSJPEBEFFYKGY-UNMCSNQZSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1ccccc1C[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415136247 941622168 /nfs/dbraw/zinc/62/21/68/941622168.db2.gz QZQMYTICGIMALX-FQEVSTJZSA-N 2 0 351.538 3.509 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129438 941622686 /nfs/dbraw/zinc/62/26/86/941622686.db2.gz UWZLTAPYMXIQPU-MSOLQXFVSA-N 2 0 368.468 3.623 20 0 FHADRP [NH3+]CC1(O)CC[NH+](Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000415135664 941625958 /nfs/dbraw/zinc/62/59/58/941625958.db2.gz BFUONQYFXWDTCV-UHFFFAOYSA-N 2 0 364.848 3.557 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000377382787 941683642 /nfs/dbraw/zinc/68/36/42/941683642.db2.gz MMFZFRQFAVOUNH-RXVVDRJESA-N 2 0 368.525 3.623 20 0 FHADRP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513162401 941701799 /nfs/dbraw/zinc/70/17/99/941701799.db2.gz YASJZHZZAUAUEI-JGUMPVPUSA-N 2 0 374.569 3.589 20 0 FHADRP CC[NH+]1CCC(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892939508 941716959 /nfs/dbraw/zinc/71/69/59/941716959.db2.gz QYHODJOTXSFOHB-UHFFFAOYSA-N 2 0 353.532 3.917 20 0 FHADRP CC1CC[NH+]([C@H](CNC(=O)CCCC[NH+]2CCCC2)c2ccccc2)CC1 ZINC000729330163 941718233 /nfs/dbraw/zinc/71/82/33/941718233.db2.gz JSAVAVCXLIAQOB-JOCHJYFZSA-N 2 0 371.569 3.842 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000377503312 941769510 /nfs/dbraw/zinc/76/95/10/941769510.db2.gz BWQTVHQGAGEVAX-MNIJEXPFSA-N 2 0 366.509 3.645 20 0 FHADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000576640650 941802767 /nfs/dbraw/zinc/80/27/67/941802767.db2.gz QFURNHPWCMPMJI-UHFFFAOYSA-N 2 0 372.484 3.974 20 0 FHADRP C[C@@H](c1ccccc1C(F)(F)F)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377634812 941858476 /nfs/dbraw/zinc/85/84/76/941858476.db2.gz YTHVPNDETUWRPO-INIZCTEOSA-N 2 0 369.475 3.726 20 0 FHADRP Cn1cc(-c2ccc(C[N@H+](C)C3CCN(c4cc[nH+]cc4)CC3)s2)cn1 ZINC000377690279 941904700 /nfs/dbraw/zinc/90/47/00/941904700.db2.gz BWAHYYSEAJFWST-UHFFFAOYSA-N 2 0 367.522 3.644 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000467196529 941912012 /nfs/dbraw/zinc/91/20/12/941912012.db2.gz KWHCBROALXJKQI-OAQYLSRUSA-N 2 0 366.590 3.939 20 0 FHADRP CC(C)c1nccn1C[C@H]1CCCN1Cc1nc(-c2ccsc2)no1 ZINC000377716134 941927449 /nfs/dbraw/zinc/92/74/49/941927449.db2.gz FKENUQLMXWCZPV-OAHLLOKOSA-N 2 0 357.483 3.783 20 0 FHADRP CCC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000513454852 941932375 /nfs/dbraw/zinc/93/23/75/941932375.db2.gz ILSWPLQZIUZRKZ-JOCHJYFZSA-N 2 0 373.585 3.998 20 0 FHADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991129 941938810 /nfs/dbraw/zinc/93/88/10/941938810.db2.gz PZCLUCMDTAMLSS-DENIHFKCSA-N 2 0 356.485 3.751 20 0 FHADRP CC1(C)CC(Nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)CC(C)(C)N1O ZINC001167721412 941938871 /nfs/dbraw/zinc/93/88/71/941938871.db2.gz YFTNQBHVKSGFMK-UHFFFAOYSA-N 2 0 374.573 3.680 20 0 FHADRP CC1(C)CC([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC(C)(C)[NH2+]1 ZINC000513470844 941950850 /nfs/dbraw/zinc/95/08/50/941950850.db2.gz XRLVCHZBXRAGIT-UHFFFAOYSA-N 2 0 351.485 3.832 20 0 FHADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377759605 941966167 /nfs/dbraw/zinc/96/61/67/941966167.db2.gz HLWOLCYACFTVAY-IRLDBZIGSA-N 2 0 373.500 3.894 20 0 FHADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377759607 941966580 /nfs/dbraw/zinc/96/65/80/941966580.db2.gz HLWOLCYACFTVAY-UNMCSNQZSA-N 2 0 373.500 3.894 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@@H+]1Cc1ccccc1 ZINC000513502464 941974335 /nfs/dbraw/zinc/97/43/35/941974335.db2.gz ZYZYHUDIJWSVJN-MJGOQNOKSA-N 2 0 352.478 3.806 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([S@](C)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513512670 941983787 /nfs/dbraw/zinc/98/37/87/941983787.db2.gz PHWXXSDHRPVNGO-JDITYXQVSA-N 2 0 370.562 3.814 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513545352 942005330 /nfs/dbraw/zinc/00/53/30/942005330.db2.gz PVBQHVWRMGQNQD-NQIIRXRSSA-N 2 0 366.505 3.848 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414147508 942033559 /nfs/dbraw/zinc/03/35/59/942033559.db2.gz WDABTBMLJZDKFJ-LMNJBCLMSA-N 2 0 363.977 3.982 20 0 FHADRP Cn1nc(-c2ccccc2)c(C[N@H+](C)C[C@H]2CCn3ccnc3C2)c1Cl ZINC000377859691 942037911 /nfs/dbraw/zinc/03/79/11/942037911.db2.gz JFLRRMWDDREWHJ-HNNXBMFYSA-N 2 0 369.900 3.631 20 0 FHADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000513612992 942038689 /nfs/dbraw/zinc/03/86/89/942038689.db2.gz KYPLBNXRTQLVTA-OALUTQOASA-N 2 0 368.521 3.908 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513666249 942064566 /nfs/dbraw/zinc/06/45/66/942064566.db2.gz KIEQPVNQNBRHBU-BHDDXSALSA-N 2 0 352.526 3.576 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000513661699 942070808 /nfs/dbraw/zinc/07/08/08/942070808.db2.gz VKFBBZHAUNMFOL-RXVVDRJESA-N 2 0 371.569 3.911 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000280083909 942099376 /nfs/dbraw/zinc/09/93/76/942099376.db2.gz QKGAPNFFDIBLHW-KRWDZBQOSA-N 2 0 374.573 3.570 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000415899339 942125517 /nfs/dbraw/zinc/12/55/17/942125517.db2.gz JNFOROXGQHVDMU-OXQOHEQNSA-N 2 0 354.498 3.527 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000415904574 942132119 /nfs/dbraw/zinc/13/21/19/942132119.db2.gz SBZHYYRZJCPSBA-UHFFFAOYSA-N 2 0 354.498 3.568 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415905901 942134077 /nfs/dbraw/zinc/13/40/77/942134077.db2.gz JDBYDUSHAWTVHZ-LAUBAEHRSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000415908229 942135801 /nfs/dbraw/zinc/13/58/01/942135801.db2.gz PFPOSFCLEYORNQ-SFHVURJKSA-N 2 0 368.525 3.828 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000415913643 942137647 /nfs/dbraw/zinc/13/76/47/942137647.db2.gz QEEIGEARFDOUPS-UHFFFAOYSA-N 2 0 358.530 3.526 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000415917383 942141642 /nfs/dbraw/zinc/14/16/42/942141642.db2.gz JBVQVUYMKZTPCA-UHFFFAOYSA-N 2 0 372.538 3.501 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000415916582 942142014 /nfs/dbraw/zinc/14/20/14/942142014.db2.gz HOGKEFBBWPXGMQ-IEBWSBKVSA-N 2 0 358.530 3.524 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415910982 942144667 /nfs/dbraw/zinc/14/46/67/942144667.db2.gz IRNANLLHXUXNHX-QZTJIDSGSA-N 2 0 366.509 3.533 20 0 FHADRP Cc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000378005772 942149327 /nfs/dbraw/zinc/14/93/27/942149327.db2.gz ORRLXBVRSJPHQM-UHFFFAOYSA-N 2 0 372.557 3.655 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000415924391 942152120 /nfs/dbraw/zinc/15/21/20/942152120.db2.gz WKLDZMMIIFDDRJ-OXQOHEQNSA-N 2 0 354.498 3.609 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000415927679 942163770 /nfs/dbraw/zinc/16/37/70/942163770.db2.gz DMMPQGUOPJNWSR-PXNSSMCTSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000415927678 942164008 /nfs/dbraw/zinc/16/40/08/942164008.db2.gz DMMPQGUOPJNWSR-FXAWDEMLSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415928547 942164556 /nfs/dbraw/zinc/16/45/56/942164556.db2.gz FTRZMHFKFZDLGP-UTKZUKDTSA-N 2 0 368.525 3.917 20 0 FHADRP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000502008364 942166512 /nfs/dbraw/zinc/16/65/12/942166512.db2.gz OEPXBWJFQBCWNL-GOTSBHOMSA-N 2 0 373.585 3.691 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000415937600 942170169 /nfs/dbraw/zinc/17/01/69/942170169.db2.gz XYPSJWDDJATSDB-UHFFFAOYSA-N 2 0 366.509 3.501 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415945952 942178963 /nfs/dbraw/zinc/17/89/63/942178963.db2.gz SGDNNDVQFAWGQU-PXNSSMCTSA-N 2 0 366.509 3.753 20 0 FHADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000271216256 942188784 /nfs/dbraw/zinc/18/87/84/942188784.db2.gz LWYJPNGHBUARFV-UHFFFAOYSA-N 2 0 372.509 3.808 20 0 FHADRP [NH3+]Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000415962545 942201470 /nfs/dbraw/zinc/20/14/70/942201470.db2.gz TXGKCFZCRPVDMI-UHFFFAOYSA-N 2 0 372.900 3.585 20 0 FHADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697676 942204427 /nfs/dbraw/zinc/20/44/27/942204427.db2.gz QNEGVVZQRGFQNF-CBPXPLCBSA-N 2 0 364.537 3.547 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000415975500 942227832 /nfs/dbraw/zinc/22/78/32/942227832.db2.gz TZIGGVHDORYQDN-UHFFFAOYSA-N 2 0 366.509 3.501 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(C[NH2+]C)cc2)cc1 ZINC000415984056 942232939 /nfs/dbraw/zinc/23/29/39/942232939.db2.gz HMHDCJFEANPZSC-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000280705096 942236191 /nfs/dbraw/zinc/23/61/91/942236191.db2.gz AVQCNCSWTDWMHK-RGELYXPASA-N 2 0 350.572 3.566 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416011681 942252824 /nfs/dbraw/zinc/25/28/24/942252824.db2.gz QADHMMBUAYLANN-UHFFFAOYSA-N 2 0 372.538 3.727 20 0 FHADRP FC(F)(F)C[C@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420938877 942264362 /nfs/dbraw/zinc/26/43/62/942264362.db2.gz BDOURDKDASRUAP-GOSISDBHSA-N 2 0 356.432 3.683 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)cc1)C1CC1 ZINC000501051323 942270067 /nfs/dbraw/zinc/27/00/67/942270067.db2.gz KKSSEMGIUGQSGR-OAQYLSRUSA-N 2 0 357.542 3.521 20 0 FHADRP C[N@H+](CCC(=O)c1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056988 942281070 /nfs/dbraw/zinc/28/10/70/942281070.db2.gz XZKQHMXUTWWFGA-UHFFFAOYSA-N 2 0 355.457 3.642 20 0 FHADRP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000502284679 942333211 /nfs/dbraw/zinc/33/32/11/942333211.db2.gz HFPFZNMSFHBCSP-QGZVFWFLSA-N 2 0 356.510 3.795 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1)C(C)C ZINC000416108078 942354573 /nfs/dbraw/zinc/35/45/73/942354573.db2.gz PISWGKASYOVCEW-UHFFFAOYSA-N 2 0 359.558 3.863 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000378183668 942370285 /nfs/dbraw/zinc/37/02/85/942370285.db2.gz JKJCOJMRSZMWMZ-HUYLIWGRSA-N 2 0 366.933 3.507 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134955 942379834 /nfs/dbraw/zinc/37/98/34/942379834.db2.gz QBFWOCRZPKSZPW-QIJUGHKUSA-N 2 0 365.521 3.631 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000501392088 942445339 /nfs/dbraw/zinc/44/53/39/942445339.db2.gz YFEZMJLRYGDNMR-PEZBUJJGSA-N 2 0 356.432 3.811 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000501400949 942460474 /nfs/dbraw/zinc/46/04/74/942460474.db2.gz RYRUXUCWJDSDIV-WBILKINKSA-N 2 0 369.475 3.582 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501409819 942465315 /nfs/dbraw/zinc/46/53/15/942465315.db2.gz DVZIYNDSBVQYJP-BMRADRMJSA-N 2 0 369.475 3.726 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)(N2CCCCC2)CC1 ZINC000501447833 942482616 /nfs/dbraw/zinc/48/26/16/942482616.db2.gz ACIYSQCHSHYHAV-UNMCSNQZSA-N 2 0 370.585 3.648 20 0 FHADRP C[NH+](C)[C@H](CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000416226702 942513436 /nfs/dbraw/zinc/51/34/36/942513436.db2.gz VLGLZRRNTLUXRC-VQTJNVASSA-N 2 0 367.493 3.703 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000421363638 942514999 /nfs/dbraw/zinc/51/49/99/942514999.db2.gz QJIJHIRMTLQXMG-VQIMIIECSA-N 2 0 370.497 3.518 20 0 FHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370137 942522235 /nfs/dbraw/zinc/52/22/35/942522235.db2.gz JCSODGKZPHWCSE-GRTSSRMGSA-N 2 0 357.311 3.982 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000421372687 942524204 /nfs/dbraw/zinc/52/42/04/942524204.db2.gz LIFQFVKQKNAETE-IBGZPJMESA-N 2 0 361.549 3.639 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421375055 942526618 /nfs/dbraw/zinc/52/66/18/942526618.db2.gz PQBNIWARJVYZLJ-UHFFFAOYSA-N 2 0 362.468 3.730 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000414838922 942547510 /nfs/dbraw/zinc/54/75/10/942547510.db2.gz VXLGPSIOUVTHDF-QGZVFWFLSA-N 2 0 356.466 3.585 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513919921 942595254 /nfs/dbraw/zinc/59/52/54/942595254.db2.gz HAYZTQMWHPEQOR-HKUYNNGSSA-N 2 0 359.558 3.570 20 0 FHADRP Cc1occc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000414448903 942607579 /nfs/dbraw/zinc/60/75/79/942607579.db2.gz ABJONXTUOAADRR-NRFANRHFSA-N 2 0 354.494 3.606 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3ccc(OC)cc3)CC2)cc1 ZINC000420298467 942609841 /nfs/dbraw/zinc/60/98/41/942609841.db2.gz HEAHAMCDUYPNIY-HXUWFJFHSA-N 2 0 354.494 3.626 20 0 FHADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000420300388 942610277 /nfs/dbraw/zinc/61/02/77/942610277.db2.gz KGABTBOLOBBDSH-PMOQBDJRSA-N 2 0 363.505 3.626 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3cccc(OC)c3)CC2)cc1 ZINC000420298543 942610323 /nfs/dbraw/zinc/61/03/23/942610323.db2.gz HPYSZEIUMCKGRK-FQEVSTJZSA-N 2 0 354.494 3.626 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305549 942612204 /nfs/dbraw/zinc/61/22/04/942612204.db2.gz KLYMOPMCKDOHTK-GXTWGEPZSA-N 2 0 360.914 3.885 20 0 FHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420305553 942612318 /nfs/dbraw/zinc/61/23/18/942612318.db2.gz KLYMOPMCKDOHTK-JSGCOSHPSA-N 2 0 360.914 3.885 20 0 FHADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420308232 942613908 /nfs/dbraw/zinc/61/39/08/942613908.db2.gz NGUUKIRXRKQBJD-NRFANRHFSA-N 2 0 363.505 3.750 20 0 FHADRP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420319507 942620414 /nfs/dbraw/zinc/62/04/14/942620414.db2.gz AIGLDFZKTPFPDQ-NHCUHLMSSA-N 2 0 363.505 3.760 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321212 942621317 /nfs/dbraw/zinc/62/13/17/942621317.db2.gz QXUUHBKVUWJTMW-MSOLQXFVSA-N 2 0 359.539 3.690 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338301 942622948 /nfs/dbraw/zinc/62/29/48/942622948.db2.gz KPUHHMMAXAUJBZ-NHCUHLMSSA-N 2 0 363.505 3.760 20 0 FHADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327928 942630297 /nfs/dbraw/zinc/63/02/97/942630297.db2.gz LSWXBKUKPFMAQX-VNQPRFMTSA-N 2 0 360.889 3.773 20 0 FHADRP C[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000414525263 942630497 /nfs/dbraw/zinc/63/04/97/942630497.db2.gz LVUFMPVHZKAIRN-KRWDZBQOSA-N 2 0 374.475 3.685 20 0 FHADRP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334446 942632317 /nfs/dbraw/zinc/63/23/17/942632317.db2.gz GJXPZVDUKOVJLY-MOPGFXCFSA-N 2 0 354.498 3.682 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334404 942632351 /nfs/dbraw/zinc/63/23/51/942632351.db2.gz GIELLBQYIAXKFH-YADHBBJMSA-N 2 0 363.505 3.830 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000420359423 942638008 /nfs/dbraw/zinc/63/80/08/942638008.db2.gz KLUQDKLZORYUHZ-KRWDZBQOSA-N 2 0 374.912 3.934 20 0 FHADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365391 942640679 /nfs/dbraw/zinc/64/06/79/942640679.db2.gz SAKQIQXBJJJHOY-CRAIPNDOSA-N 2 0 359.539 3.766 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000420376034 942645490 /nfs/dbraw/zinc/64/54/90/942645490.db2.gz JLBVWOGEWVIZMJ-ZWKOTPCHSA-N 2 0 354.947 3.650 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420378352 942646405 /nfs/dbraw/zinc/64/64/05/942646405.db2.gz QISZCEATGYXVHV-QHCPKHFHSA-N 2 0 363.505 3.758 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000420381380 942647428 /nfs/dbraw/zinc/64/74/28/942647428.db2.gz OXENJHRLLGQHRZ-IRXDYDNUSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420380416 942647552 /nfs/dbraw/zinc/64/75/52/942647552.db2.gz OCMIQVXEJYCCJI-XFQXTVEOSA-N 2 0 355.482 3.621 20 0 FHADRP COCCC1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000414531772 942651013 /nfs/dbraw/zinc/65/10/13/942651013.db2.gz ZVLXOLUEXSEFKW-UHFFFAOYSA-N 2 0 374.569 3.590 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)cc1 ZINC000434424964 942652430 /nfs/dbraw/zinc/65/24/30/942652430.db2.gz LXFKJAUFUGSFRY-NRFANRHFSA-N 2 0 357.542 3.665 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420375631 942655971 /nfs/dbraw/zinc/65/59/71/942655971.db2.gz JECLKAHOMHVPAY-BVGQSLNGSA-N 2 0 354.441 3.567 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420420703 942658623 /nfs/dbraw/zinc/65/86/23/942658623.db2.gz YHVNLUABSVVFOH-CCKFTAQKSA-N 2 0 353.913 3.594 20 0 FHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000502694696 942661960 /nfs/dbraw/zinc/66/19/60/942661960.db2.gz AUHIXHPZXYBRPN-GPHNJDIKSA-N 2 0 360.542 3.591 20 0 FHADRP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501776425 942667699 /nfs/dbraw/zinc/66/76/99/942667699.db2.gz OAUYRKKPVBMLLQ-HXUWFJFHSA-N 2 0 373.585 3.866 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501783837 942671525 /nfs/dbraw/zinc/67/15/25/942671525.db2.gz AQFDJYQGMPKUGO-HNNXBMFYSA-N 2 0 351.922 3.721 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1-c1noc(C23CCC[NH+]2CCC3)n1 ZINC000420475903 942677311 /nfs/dbraw/zinc/67/73/11/942677311.db2.gz HTKPWHZDZPNSAH-UHFFFAOYSA-N 2 0 370.497 3.542 20 0 FHADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414846634 942713084 /nfs/dbraw/zinc/71/30/84/942713084.db2.gz UQNITJOMBKIOMN-SFHVURJKSA-N 2 0 354.494 3.754 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405659 942732166 /nfs/dbraw/zinc/73/21/66/942732166.db2.gz SAVJAEMZWFJMJR-HUYLIWGRSA-N 2 0 366.933 3.507 20 0 FHADRP CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000514086908 942736709 /nfs/dbraw/zinc/73/67/09/942736709.db2.gz DOIRMJUJVZBARD-LJQANCHMSA-N 2 0 366.553 3.883 20 0 FHADRP CC(C)CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccoc1 ZINC000514086367 942737546 /nfs/dbraw/zinc/73/75/46/942737546.db2.gz ACVOIAQRYLJSHQ-FQEVSTJZSA-N 2 0 356.514 3.694 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000514089998 942740623 /nfs/dbraw/zinc/74/06/23/942740623.db2.gz SGLQULBSAJBQEG-HKBOAZHASA-N 2 0 351.494 3.623 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000514089999 942740818 /nfs/dbraw/zinc/74/08/18/942740818.db2.gz SGLQULBSAJBQEG-PCCBWWKXSA-N 2 0 351.494 3.623 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000514094547 942744335 /nfs/dbraw/zinc/74/43/35/942744335.db2.gz KRRHJTRTRGQRRZ-CTNGQTDRSA-N 2 0 352.563 3.896 20 0 FHADRP COC(=O)c1csc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000514094239 942744406 /nfs/dbraw/zinc/74/44/06/942744406.db2.gz MQXLHMUIZCOQRK-JYJNAYRXSA-N 2 0 352.544 3.943 20 0 FHADRP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000502817693 942768576 /nfs/dbraw/zinc/76/85/76/942768576.db2.gz XJAVAFLXBZRELY-OALUTQOASA-N 2 0 374.573 3.535 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000182752896 942783747 /nfs/dbraw/zinc/78/37/47/942783747.db2.gz FSRSANIQVFYGQQ-FQEVSTJZSA-N 2 0 354.485 3.832 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470058 942800737 /nfs/dbraw/zinc/80/07/37/942800737.db2.gz AQJCOMFDUQHUEF-LUQKVYGDSA-N 2 0 352.482 3.900 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000502862843 942810851 /nfs/dbraw/zinc/81/08/51/942810851.db2.gz OKCBZRWMSJDXRU-IBGZPJMESA-N 2 0 366.594 3.595 20 0 FHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000421836010 942839371 /nfs/dbraw/zinc/83/93/71/942839371.db2.gz GFSQLEGECHHCOS-KXBFYZLASA-N 2 0 374.912 3.766 20 0 FHADRP COc1cc(Br)ccc1CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000183207319 942842318 /nfs/dbraw/zinc/84/23/18/942842318.db2.gz ZFWMJVRXAWKWEL-UHFFFAOYSA-N 2 0 369.347 3.853 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000421843036 942856242 /nfs/dbraw/zinc/85/62/42/942856242.db2.gz MBIGPZZDUKAPJY-VOBQZIQPSA-N 2 0 368.924 3.768 20 0 FHADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC000183517418 942883274 /nfs/dbraw/zinc/88/32/74/942883274.db2.gz JYIREOIPYCVVMV-IRXDYDNUSA-N 2 0 355.567 3.732 20 0 FHADRP CCCNc1ccc(C[NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000434756769 942945917 /nfs/dbraw/zinc/94/59/17/942945917.db2.gz DGZFMOHNRKBPSR-UHFFFAOYSA-N 2 0 366.553 3.940 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261921307 942954003 /nfs/dbraw/zinc/95/40/03/942954003.db2.gz BRECSKIYZSHHRA-UHFFFAOYSA-N 2 0 372.944 3.777 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000503137136 943004408 /nfs/dbraw/zinc/00/44/08/943004408.db2.gz HFAWUEYTPKLZFG-IBGZPJMESA-N 2 0 374.573 3.537 20 0 FHADRP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000396348396 943034900 /nfs/dbraw/zinc/03/49/00/943034900.db2.gz FEJLLRDXCZSYQQ-VIQWUECVSA-N 2 0 370.459 3.724 20 0 FHADRP CN(c1ccccc1C[N@H+](C)CCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000434984114 943074150 /nfs/dbraw/zinc/07/41/50/943074150.db2.gz YSDAWCKWBCYIAM-UHFFFAOYSA-N 2 0 367.537 3.728 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656483 943117327 /nfs/dbraw/zinc/11/73/27/943117327.db2.gz FVTAZRCOBPBSJB-MAUKXSAKSA-N 2 0 358.457 3.582 20 0 FHADRP c1ncn(-c2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)n1 ZINC000272444664 943156234 /nfs/dbraw/zinc/15/62/34/943156234.db2.gz URQDFIGUDDCGNI-DKUWSORSSA-N 2 0 373.504 3.553 20 0 FHADRP Cc1noc(C2CCC([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536229 943173220 /nfs/dbraw/zinc/17/32/20/943173220.db2.gz BEOYDFDXIOMZRD-FZQMEJGWSA-N 2 0 368.525 3.904 20 0 FHADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000422638931 943206639 /nfs/dbraw/zinc/20/66/39/943206639.db2.gz RUWDMSMEGKDSJZ-FUHIMQAGSA-N 2 0 351.494 3.744 20 0 FHADRP c1[nH+]cn2ccc(-c3noc([C@@H]4CCC[N@@H+](Cc5ccccc5)C4)n3)cc12 ZINC000514710295 943238522 /nfs/dbraw/zinc/23/85/22/943238522.db2.gz NPOABXVGMCCFPT-GOSISDBHSA-N 2 0 359.433 3.764 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CC(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422709183 943242315 /nfs/dbraw/zinc/24/23/15/943242315.db2.gz CZFPJQJIAIJWPU-QZTJIDSGSA-N 2 0 360.542 3.654 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000422710518 943243994 /nfs/dbraw/zinc/24/39/94/943243994.db2.gz FYUNNJFCOFAJJO-REWPJTCUSA-N 2 0 360.505 3.815 20 0 FHADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272948953 943249399 /nfs/dbraw/zinc/24/93/99/943249399.db2.gz UKWKPNMNEBHDPV-NQIIRXRSSA-N 2 0 369.553 3.665 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000422732716 943250294 /nfs/dbraw/zinc/25/02/94/943250294.db2.gz QFQHKTDKPKPRNR-CHWSQXEVSA-N 2 0 358.935 3.764 20 0 FHADRP CC[N@H+](C)Cc1cccc(CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)c1 ZINC000422733586 943251042 /nfs/dbraw/zinc/25/10/42/943251042.db2.gz BKBGFEXXSCSDDR-XZOQPEGZSA-N 2 0 367.537 3.730 20 0 FHADRP [NH3+]CC1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000422714064 943252798 /nfs/dbraw/zinc/25/27/98/943252798.db2.gz QOHDUKBWDXFSFW-UHFFFAOYSA-N 2 0 355.457 3.685 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000416968045 943255617 /nfs/dbraw/zinc/25/56/17/943255617.db2.gz IERWXIHTJWVRSM-QGZVFWFLSA-N 2 0 368.525 3.546 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(Br)s1 ZINC000422723107 943259341 /nfs/dbraw/zinc/25/93/41/943259341.db2.gz ZPFLOUMVEGVQDJ-IUODEOHRSA-N 2 0 353.329 3.601 20 0 FHADRP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422757802 943262138 /nfs/dbraw/zinc/26/21/38/943262138.db2.gz MZBYGCNZSDKACO-ACESQOTJSA-N 2 0 371.569 3.733 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422758679 943262919 /nfs/dbraw/zinc/26/29/19/943262919.db2.gz JQXVURMFUNRNNK-PCCBWWKXSA-N 2 0 360.517 3.774 20 0 FHADRP Fc1ccccc1CSCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758446 943263083 /nfs/dbraw/zinc/26/30/83/943263083.db2.gz DUTSZYGBUPFKBR-PZJWPPBQSA-N 2 0 372.509 3.904 20 0 FHADRP c1ccc(C(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422737666 943265585 /nfs/dbraw/zinc/26/55/85/943265585.db2.gz XQFXLSCNZJAIDA-WXFUMESZSA-N 2 0 364.533 3.955 20 0 FHADRP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422741535 943267224 /nfs/dbraw/zinc/26/72/24/943267224.db2.gz OSJMFKPMCOJNOO-KNQAVFIVSA-N 2 0 352.478 3.609 20 0 FHADRP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422743996 943267855 /nfs/dbraw/zinc/26/78/55/943267855.db2.gz JMRPBDRSCKZTTF-UZKOGDIHSA-N 2 0 351.494 3.933 20 0 FHADRP c1ccc(N2CCC([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422743307 943268861 /nfs/dbraw/zinc/26/88/61/943268861.db2.gz TVGHMHMPTXYRRH-FYYLOGMGSA-N 2 0 363.505 3.501 20 0 FHADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422752004 943272450 /nfs/dbraw/zinc/27/24/50/943272450.db2.gz CDYUZEQUNABKKL-QFBILLFUSA-N 2 0 356.489 3.616 20 0 FHADRP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422755022 943273070 /nfs/dbraw/zinc/27/30/70/943273070.db2.gz HOYNKEHFPAWNKU-YJBOKZPZSA-N 2 0 370.459 3.874 20 0 FHADRP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422755021 943273168 /nfs/dbraw/zinc/27/31/68/943273168.db2.gz HOYNKEHFPAWNKU-QAPCUYQASA-N 2 0 370.459 3.874 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422757109 943273630 /nfs/dbraw/zinc/27/36/30/943273630.db2.gz JLWOIEZRJGPKCU-HNNXBMFYSA-N 2 0 373.928 3.901 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422754803 943273878 /nfs/dbraw/zinc/27/38/78/943273878.db2.gz GERFYSQVVPJWHB-QGPMSJSTSA-N 2 0 357.464 3.805 20 0 FHADRP CCOc1cc(CCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC ZINC000422766915 943275521 /nfs/dbraw/zinc/27/55/21/943275521.db2.gz XXRBUQYYFUVEGN-HNNXBMFYSA-N 2 0 357.498 3.539 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422768317 943275636 /nfs/dbraw/zinc/27/56/36/943275636.db2.gz NTIGZHXIFPVKBQ-BAGYTPMASA-N 2 0 352.526 3.890 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC[NH2+]CC1 ZINC000422773337 943277715 /nfs/dbraw/zinc/27/77/15/943277715.db2.gz YJIDKUFHMCEDST-RDTXWAMCSA-N 2 0 364.917 3.702 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776043 943278523 /nfs/dbraw/zinc/27/85/23/943278523.db2.gz BZBIZHJOZSCLME-QNWVGRARSA-N 2 0 364.489 3.918 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422785642 943282370 /nfs/dbraw/zinc/28/23/70/943282370.db2.gz NPRGGOAWZPDCJF-JTSKRJEESA-N 2 0 371.956 3.853 20 0 FHADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422786410 943283340 /nfs/dbraw/zinc/28/33/40/943283340.db2.gz OMLBOFOVFKFBPB-BPXKWBHBSA-N 2 0 352.478 3.910 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001138 943283581 /nfs/dbraw/zinc/28/35/81/943283581.db2.gz DVMFIJYICKGJSM-DNVCBOLYSA-N 2 0 374.554 3.650 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OCc1ccccc1 ZINC000422764111 943284119 /nfs/dbraw/zinc/28/41/19/943284119.db2.gz JVZAWJDQDBYNTN-YLJYHZDGSA-N 2 0 354.494 3.752 20 0 FHADRP Cc1ccc(SCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422766183 943285687 /nfs/dbraw/zinc/28/56/87/943285687.db2.gz LNVRSXQRVVFVRC-PZJWPPBQSA-N 2 0 354.519 3.933 20 0 FHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000422810685 943291700 /nfs/dbraw/zinc/29/17/00/943291700.db2.gz UOADRVXULAVOBP-VVHHDAOASA-N 2 0 371.550 3.926 20 0 FHADRP Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cnn1-c1ccc(F)cc1 ZINC000422791501 943294175 /nfs/dbraw/zinc/29/41/75/943294175.db2.gz VZVOVMDCJOCGHI-UKRRQHHQSA-N 2 0 367.472 3.894 20 0 FHADRP Cc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422822303 943296690 /nfs/dbraw/zinc/29/66/90/943296690.db2.gz AODMPWHEOFKLFN-PMOQBDJRSA-N 2 0 351.538 3.680 20 0 FHADRP CCOCc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835268 943299695 /nfs/dbraw/zinc/29/96/95/943299695.db2.gz PDJLSBVRUULHBM-RBBKRZOGSA-N 2 0 352.478 3.569 20 0 FHADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422815403 943302645 /nfs/dbraw/zinc/30/26/45/943302645.db2.gz XQYIHCDAESLUOJ-FGTMMUONSA-N 2 0 356.432 3.776 20 0 FHADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(OCC(F)(F)F)c1 ZINC000422848970 943304757 /nfs/dbraw/zinc/30/47/57/943304757.db2.gz BLGWNTHQPFFOCC-CYBMUJFWSA-N 2 0 367.415 3.949 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422851258 943305873 /nfs/dbraw/zinc/30/58/73/943305873.db2.gz WSEVDCJUVUXIRL-OLMNPRSZSA-N 2 0 353.913 3.594 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000422854557 943306936 /nfs/dbraw/zinc/30/69/36/943306936.db2.gz BCYDKUYJNNIRCV-BAGYTPMASA-N 2 0 356.554 3.944 20 0 FHADRP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422860779 943308736 /nfs/dbraw/zinc/30/87/36/943308736.db2.gz NAFJPXZDZQBHDZ-FDFHNCONSA-N 2 0 352.478 3.726 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000422864103 943309391 /nfs/dbraw/zinc/30/93/91/943309391.db2.gz TXQBGMASHKUODZ-IPELMVKDSA-N 2 0 350.934 3.884 20 0 FHADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)n1 ZINC000422868303 943310718 /nfs/dbraw/zinc/31/07/18/943310718.db2.gz UVEPZBNEQQJBDS-XXBNENTESA-N 2 0 362.521 3.580 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422878012 943314382 /nfs/dbraw/zinc/31/43/82/943314382.db2.gz IQFHRYSKGBIYCC-JYJNAYRXSA-N 2 0 357.473 3.783 20 0 FHADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422884922 943317068 /nfs/dbraw/zinc/31/70/68/943317068.db2.gz FYXJZLMWWHDMCN-XLIONFOSSA-N 2 0 358.869 3.694 20 0 FHADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422890364 943319394 /nfs/dbraw/zinc/31/93/94/943319394.db2.gz RTFCCJMLSMBUTN-PCCBWWKXSA-N 2 0 352.526 3.890 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422870488 943321524 /nfs/dbraw/zinc/32/15/24/943321524.db2.gz BXKYWLHJFJRQKE-DXBBTUNJSA-N 2 0 372.553 3.953 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422901302 943324257 /nfs/dbraw/zinc/32/42/57/943324257.db2.gz RWMATJKTZYUFGI-WMZHIEFXSA-N 2 0 351.538 3.508 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422899421 943324649 /nfs/dbraw/zinc/32/46/49/943324649.db2.gz HMCLALSHJXFPPK-WBAXXEDZSA-N 2 0 370.459 3.859 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893536 943330971 /nfs/dbraw/zinc/33/09/71/943330971.db2.gz ADOTVVOFXDWIQI-LEWJYISDSA-N 2 0 366.505 3.786 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(Cl)c1 ZINC000422926066 943333908 /nfs/dbraw/zinc/33/39/08/943333908.db2.gz WCOXVFXUXGKWFM-VMRPVKRXSA-N 2 0 372.896 3.953 20 0 FHADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000422929737 943335347 /nfs/dbraw/zinc/33/53/47/943335347.db2.gz RHZPASBUDVRZLK-FCHUYYIVSA-N 2 0 354.494 3.894 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000422933847 943336742 /nfs/dbraw/zinc/33/67/42/943336742.db2.gz FABGJNKXFWVRCV-GMVOTWDCSA-N 2 0 362.876 3.988 20 0 FHADRP Brc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422938064 943338549 /nfs/dbraw/zinc/33/85/49/943338549.db2.gz PEIUVZBKZXYFDR-PKOBYXMFSA-N 2 0 373.294 3.795 20 0 FHADRP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422940838 943339540 /nfs/dbraw/zinc/33/95/40/943339540.db2.gz JHRXVLGADWUUFC-UGKGYDQZSA-N 2 0 352.478 3.528 20 0 FHADRP c1ccc(COc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422967508 943343480 /nfs/dbraw/zinc/34/34/80/943343480.db2.gz CCDYIPTUKVARJX-NJDAHSKKSA-N 2 0 351.494 3.671 20 0 FHADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422945570 943345730 /nfs/dbraw/zinc/34/57/30/943345730.db2.gz UXSNUVWARJTJIK-QHAWAJNXSA-N 2 0 357.542 3.617 20 0 FHADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422950918 943346849 /nfs/dbraw/zinc/34/68/49/943346849.db2.gz XBIHFIURYAGCLQ-CABCVRRESA-N 2 0 354.498 3.684 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCCC1 ZINC000414706656 943348944 /nfs/dbraw/zinc/34/89/44/943348944.db2.gz GUJZMUOEVQBLPE-ICSRJNTNSA-N 2 0 370.541 3.667 20 0 FHADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422957433 943349313 /nfs/dbraw/zinc/34/93/13/943349313.db2.gz UBSSXRXAUSMEBE-SLFFLAALSA-N 2 0 353.510 3.904 20 0 FHADRP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)C[C@@H](C)O1 ZINC000422958866 943350246 /nfs/dbraw/zinc/35/02/46/943350246.db2.gz ZDPHSYDNJMGGIO-FXJJGOGXSA-N 2 0 357.542 3.628 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000422977339 943356804 /nfs/dbraw/zinc/35/68/04/943356804.db2.gz JRUMIJLJPTXEDR-CVEARBPZSA-N 2 0 356.514 3.908 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000422982535 943357776 /nfs/dbraw/zinc/35/77/76/943357776.db2.gz RALVDBBVDFHYER-BBRMVZONSA-N 2 0 363.527 3.532 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422980919 943357947 /nfs/dbraw/zinc/35/79/47/943357947.db2.gz MSKCCCAFSKXUJI-WMLDXEAASA-N 2 0 362.905 3.833 20 0 FHADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)n(-c2ccccc2)n1 ZINC000423002019 943361428 /nfs/dbraw/zinc/36/14/28/943361428.db2.gz YCYQJGZDSNSAST-DOTOQJQBSA-N 2 0 363.509 3.625 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC1CC[NH+](C)CC1 ZINC000514886760 943361874 /nfs/dbraw/zinc/36/18/74/943361874.db2.gz HVXRRAKRXRYEGY-ZDUSSCGKSA-N 2 0 357.311 3.841 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423009761 943363211 /nfs/dbraw/zinc/36/32/11/943363211.db2.gz DTWFNFWZKUAVMJ-KPOBHBOGSA-N 2 0 358.917 3.598 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371586 943364495 /nfs/dbraw/zinc/36/44/95/943364495.db2.gz NSCAAHZVWODVSJ-IEBWSBKVSA-N 2 0 352.526 3.784 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423016031 943365490 /nfs/dbraw/zinc/36/54/90/943365490.db2.gz SDPCIBFRLXBRIS-RISCZKNCSA-N 2 0 365.827 3.500 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023131 943366024 /nfs/dbraw/zinc/36/60/24/943366024.db2.gz JAXWRBHORLFNMP-UVFQYZLESA-N 2 0 361.892 3.606 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017680 943366103 /nfs/dbraw/zinc/36/61/03/943366103.db2.gz PJGGTFLOQNZZQS-RQUSPXKASA-N 2 0 363.864 3.822 20 0 FHADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000435377063 943366678 /nfs/dbraw/zinc/36/66/78/943366678.db2.gz XRUACZROAVRYEV-LJQANCHMSA-N 2 0 353.510 3.709 20 0 FHADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423022361 943366948 /nfs/dbraw/zinc/36/69/48/943366948.db2.gz FCAIMLJUOONTBX-RBBKRZOGSA-N 2 0 351.494 3.724 20 0 FHADRP CCC[N@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)C1CC[NH2+]CC1 ZINC000435378846 943369052 /nfs/dbraw/zinc/36/90/52/943369052.db2.gz KEPMICNMSKWBJU-UHFFFAOYSA-N 2 0 369.509 3.633 20 0 FHADRP c1cncc(COc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)c1 ZINC000435380855 943370159 /nfs/dbraw/zinc/37/01/59/943370159.db2.gz UBKOFXRSGBZJNG-QFIPXVFZSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@H]([NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423032408 943372120 /nfs/dbraw/zinc/37/21/20/943372120.db2.gz MMHDHADIWZYJLI-UGSOOPFHSA-N 2 0 356.341 3.688 20 0 FHADRP Clc1cc(Cl)cc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423035253 943372568 /nfs/dbraw/zinc/37/25/68/943372568.db2.gz RIZQUXWWPQQNSJ-DFNIBXOVSA-N 2 0 368.352 3.830 20 0 FHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423036313 943373299 /nfs/dbraw/zinc/37/32/99/943373299.db2.gz TWDIMPGRMSCUJO-RDTXWAMCSA-N 2 0 356.341 3.675 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000423056852 943376889 /nfs/dbraw/zinc/37/68/89/943376889.db2.gz YURQOPUGMOIUMZ-GCJKJVERSA-N 2 0 354.542 3.656 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000414714535 943377692 /nfs/dbraw/zinc/37/76/92/943377692.db2.gz QBMCWSAXRDLSLA-QGZVFWFLSA-N 2 0 358.530 3.572 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423060606 943378310 /nfs/dbraw/zinc/37/83/10/943378310.db2.gz IPAKFSCGFYDRME-DHSIGJKJSA-N 2 0 354.897 3.633 20 0 FHADRP CCSc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423063570 943379226 /nfs/dbraw/zinc/37/92/26/943379226.db2.gz PFUCFDUMERHUFP-PXNSSMCTSA-N 2 0 355.507 3.539 20 0 FHADRP COc1ccc([C@H](C)C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435394159 943380544 /nfs/dbraw/zinc/38/05/44/943380544.db2.gz MOCKYLLLRYTNKV-WIYYLYMNSA-N 2 0 353.510 3.838 20 0 FHADRP C[C@H]([NH2+][C@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CC[NH2+]C1 ZINC000423054304 943385009 /nfs/dbraw/zinc/38/50/09/943385009.db2.gz UGYWZPLYHBZXQJ-OWQGQXMQSA-N 2 0 351.332 3.748 20 0 FHADRP CCc1nc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423102847 943390582 /nfs/dbraw/zinc/39/05/82/943390582.db2.gz ACQOAGHMEMHKCF-GBESFXJTSA-N 2 0 352.526 3.944 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423092909 943391909 /nfs/dbraw/zinc/39/19/09/943391909.db2.gz DUZVXVAVZGASPI-MJFSBKNWSA-N 2 0 355.295 3.812 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423092908 943392035 /nfs/dbraw/zinc/39/20/35/943392035.db2.gz DUZVXVAVZGASPI-LSCFUAHRSA-N 2 0 355.295 3.812 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423116288 943395902 /nfs/dbraw/zinc/39/59/02/943395902.db2.gz PFAXBQVHVKPUJX-JTQLQIEISA-N 2 0 366.674 3.552 20 0 FHADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423114419 943396029 /nfs/dbraw/zinc/39/60/29/943396029.db2.gz VPQHEVWQDJAANI-PZKPASOESA-N 2 0 353.510 3.851 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423124321 943397695 /nfs/dbraw/zinc/39/76/95/943397695.db2.gz OHPOYGUENCPBRI-HUUCEWRRSA-N 2 0 350.304 3.723 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104757 943402192 /nfs/dbraw/zinc/40/21/92/943402192.db2.gz MQAVCZREWWABFC-YTFSRNRJSA-N 2 0 371.569 3.560 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423107857 943403325 /nfs/dbraw/zinc/40/33/25/943403325.db2.gz FMYNYNUFNMUQPU-AVRDEDQJSA-N 2 0 366.553 3.800 20 0 FHADRP COc1ccc([C@H](C)C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435425186 943405328 /nfs/dbraw/zinc/40/53/28/943405328.db2.gz CMGIKEKUNREWGN-WBVHZDCISA-N 2 0 359.539 3.675 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423146921 943408162 /nfs/dbraw/zinc/40/81/62/943408162.db2.gz QOHNUDUDTMBGIC-ZDUSSCGKSA-N 2 0 355.873 3.539 20 0 FHADRP Cc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c(C)c1 ZINC000423137795 943416509 /nfs/dbraw/zinc/41/65/09/943416509.db2.gz ROEMIDVHGIPCPG-ILWGZMRPSA-N 2 0 356.554 3.862 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423138991 943417270 /nfs/dbraw/zinc/41/72/70/943417270.db2.gz UTQGMCFXWJKDNX-VAMGGRTRSA-N 2 0 374.598 3.954 20 0 FHADRP [NH3+]CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423181625 943429567 /nfs/dbraw/zinc/42/95/67/943429567.db2.gz GHNJFHPMVIFAQO-ZDUSSCGKSA-N 2 0 366.328 3.888 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000423214596 943444952 /nfs/dbraw/zinc/44/49/52/943444952.db2.gz LKAQPHNWNGQQHC-ISARSNTHSA-N 2 0 364.505 3.812 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(C)C ZINC000504008316 943455319 /nfs/dbraw/zinc/45/53/19/943455319.db2.gz QCLPPEQTWMQFNK-NRFANRHFSA-N 2 0 374.573 3.584 20 0 FHADRP COCCC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423255221 943460541 /nfs/dbraw/zinc/46/05/41/943460541.db2.gz BEYXGWPKBRFBAI-QAPCUYQASA-N 2 0 369.347 3.896 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(-n2cncn2)cc1Cl ZINC000423291602 943465611 /nfs/dbraw/zinc/46/56/11/943465611.db2.gz IXUVSMJGNSIWDS-UONOGXRCSA-N 2 0 355.873 3.791 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423304103 943477356 /nfs/dbraw/zinc/47/73/56/943477356.db2.gz JVTGLZWJLZICRH-MRXNPFEDSA-N 2 0 359.539 3.752 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423323612 943479902 /nfs/dbraw/zinc/47/99/02/943479902.db2.gz IGFOMUILMDWZKT-QWFCFKBJSA-N 2 0 359.558 3.587 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2Cl)cc1OC ZINC000423340387 943484290 /nfs/dbraw/zinc/48/42/90/943484290.db2.gz JLOLZCPOHMSCFE-OAQYLSRUSA-N 2 0 372.896 3.956 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)[C@H](C)C1 ZINC000417303096 943496826 /nfs/dbraw/zinc/49/68/26/943496826.db2.gz DEQWXVGMYCAWAC-SPOLIRPYSA-N 2 0 350.572 3.967 20 0 FHADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386055 943498174 /nfs/dbraw/zinc/49/81/74/943498174.db2.gz LVXZAESFTBMAEL-HSZRJFAPSA-N 2 0 359.473 3.767 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423376712 943503828 /nfs/dbraw/zinc/50/38/28/943503828.db2.gz YMHMAEYUZPXYTD-CGTJXYLNSA-N 2 0 350.478 3.566 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423419017 943504474 /nfs/dbraw/zinc/50/44/74/943504474.db2.gz IFLDEGLPKBFVOK-IPJJNNNSSA-N 2 0 353.510 3.729 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1Br ZINC000423421281 943505696 /nfs/dbraw/zinc/50/56/96/943505696.db2.gz JZGRFVRDYMRTQD-MGPQQGTHSA-N 2 0 355.320 3.873 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423422576 943505928 /nfs/dbraw/zinc/50/59/28/943505928.db2.gz BKNZVQFTZCVBGB-UIAACRFSSA-N 2 0 358.530 3.599 20 0 FHADRP C[N@@H+]1CCC[C@H](CNCc2c[nH]cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281445 943508044 /nfs/dbraw/zinc/50/80/44/943508044.db2.gz UUCVOCIODGNVCA-RHSMWYFYSA-N 2 0 352.404 3.601 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2ccccc2)c2sccc2C)CC[NH2+]CC1 ZINC000423405450 943508142 /nfs/dbraw/zinc/50/81/42/943508142.db2.gz JGNWUAMPPVVWBL-IBGZPJMESA-N 2 0 358.551 3.946 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423406462 943508676 /nfs/dbraw/zinc/50/86/76/943508676.db2.gz KXDCJJWKPPTGFU-HXUWFJFHSA-N 2 0 373.928 3.625 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000423409558 943509223 /nfs/dbraw/zinc/50/92/23/943509223.db2.gz QJVITBJLNRIWBR-FQEVSTJZSA-N 2 0 373.928 3.625 20 0 FHADRP COCC1(C[NH2+][C@H](Cc2ccccc2)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423412542 943510500 /nfs/dbraw/zinc/51/05/00/943510500.db2.gz XBOXENWRTLPBFQ-JOCHJYFZSA-N 2 0 368.521 3.585 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000423429585 943516024 /nfs/dbraw/zinc/51/60/24/943516024.db2.gz HGODISPOWDKOMM-CWRNSKLLSA-N 2 0 367.356 3.964 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423435056 943518628 /nfs/dbraw/zinc/51/86/28/943518628.db2.gz ONTMECYREDFRKM-SOLBZPMBSA-N 2 0 352.494 3.942 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2NCCc3ccccc32)CC1 ZINC000423437322 943519166 /nfs/dbraw/zinc/51/91/66/943519166.db2.gz UIKFJWMVYZCXRV-IWAAJCSBSA-N 2 0 363.549 3.906 20 0 FHADRP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CCC2 ZINC000423461869 943522075 /nfs/dbraw/zinc/52/20/75/943522075.db2.gz CXSVCYKZAHLVEL-WEYGHZABSA-N 2 0 354.469 3.892 20 0 FHADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146471 943523474 /nfs/dbraw/zinc/52/34/74/943523474.db2.gz SEXDDLSVXXIMHD-YVHKJVDXSA-N 2 0 351.494 3.658 20 0 FHADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423476800 943526445 /nfs/dbraw/zinc/52/64/45/943526445.db2.gz ROVQDSRKROXRMT-CDXJDZJCSA-N 2 0 354.469 3.805 20 0 FHADRP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cnn1C(C)C ZINC000423480335 943527411 /nfs/dbraw/zinc/52/74/11/943527411.db2.gz VQDKYXGZRMFGPA-ZAAXVRCTSA-N 2 0 358.505 3.955 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCCO2 ZINC000423480965 943527512 /nfs/dbraw/zinc/52/75/12/943527512.db2.gz NVQGUHQOFKGMPF-ZBFHGGJFSA-N 2 0 353.304 3.785 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cnn1C(C)C ZINC000423480334 943527552 /nfs/dbraw/zinc/52/75/52/943527552.db2.gz VQDKYXGZRMFGPA-MOXGXCLJSA-N 2 0 358.505 3.955 20 0 FHADRP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423499066 943529494 /nfs/dbraw/zinc/52/94/94/943529494.db2.gz AGFKWXDISQNQTR-AFMYVXGZSA-N 2 0 359.583 3.646 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C(C)C)c(Br)c1 ZINC000423499202 943529616 /nfs/dbraw/zinc/52/96/16/943529616.db2.gz HOLWKJGJFKCDAX-PBFPGSCMSA-N 2 0 355.320 3.872 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000423503198 943531104 /nfs/dbraw/zinc/53/11/04/943531104.db2.gz FSJKIOPTQYZBNG-HSBZDZAISA-N 2 0 374.331 4.000 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423507253 943532298 /nfs/dbraw/zinc/53/22/98/943532298.db2.gz JLMVQXVBHHIGFL-RWWKDMOOSA-N 2 0 366.553 3.660 20 0 FHADRP Cc1c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508487 943532400 /nfs/dbraw/zinc/53/24/00/943532400.db2.gz QWNJAIJUNIVSAK-MGPUTAFESA-N 2 0 367.472 3.846 20 0 FHADRP CCc1ccccc1[C@@H](N)C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423509636 943532421 /nfs/dbraw/zinc/53/24/21/943532421.db2.gz RRYUQEKAIDVLFB-FQEVSTJZSA-N 2 0 359.464 3.786 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345507 943532822 /nfs/dbraw/zinc/53/28/22/943532822.db2.gz SBNONAKCIFKJFB-XFWGSAIBSA-N 2 0 356.535 3.597 20 0 FHADRP Brc1ccccc1C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423491735 943535662 /nfs/dbraw/zinc/53/56/62/943535662.db2.gz ZSKWJLHZJSJTEC-FUHWJXTLSA-N 2 0 351.332 3.892 20 0 FHADRP FC(F)(F)c1cccc(C2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000423496524 943537777 /nfs/dbraw/zinc/53/77/77/943537777.db2.gz WUWYETJXIYQQSU-IUPXNIOVSA-N 2 0 356.432 3.700 20 0 FHADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423529902 943538556 /nfs/dbraw/zinc/53/85/56/943538556.db2.gz QMLJJYCCVAHONT-AXGPVETESA-N 2 0 362.558 3.632 20 0 FHADRP Clc1ccc([C@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423511808 943541103 /nfs/dbraw/zinc/54/11/03/943541103.db2.gz PFARNCXMTLHEID-RCKXYERXSA-N 2 0 361.961 3.782 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c2ccccc21 ZINC000423514173 943542481 /nfs/dbraw/zinc/54/24/81/943542481.db2.gz SJBZOJRUCMSWIF-WWDZGPRUSA-N 2 0 355.501 3.846 20 0 FHADRP COc1cc([C@@H](C)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc(OC)c1OC ZINC000423516644 943542614 /nfs/dbraw/zinc/54/26/14/943542614.db2.gz AYJOCHVZWXYUBJ-AUEVNTSISA-N 2 0 374.525 3.517 20 0 FHADRP COc1ccc2cc([C@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)ccc2c1 ZINC000423526640 943547424 /nfs/dbraw/zinc/54/74/24/943547424.db2.gz ZURMFACMDDLMOC-YTXWROIDSA-N 2 0 367.537 3.715 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000423557432 943548229 /nfs/dbraw/zinc/54/82/29/943548229.db2.gz ZRHQIOBRUZDAST-OJAHFUOMSA-N 2 0 352.526 3.836 20 0 FHADRP NC1(C[NH2+][C@@H]2CCCc3sccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423540710 943551619 /nfs/dbraw/zinc/55/16/19/943551619.db2.gz AETMYZGXYCYUSA-LJQANCHMSA-N 2 0 355.551 3.709 20 0 FHADRP Brc1cccc([C@@H]([NH2+]CCC[NH2+]C2CC2)C2CCOCC2)c1 ZINC000423567184 943558752 /nfs/dbraw/zinc/55/87/52/943558752.db2.gz UZVBMOSIUQHCTR-SFHVURJKSA-N 2 0 367.331 3.649 20 0 FHADRP COc1cc(C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1OC(F)F ZINC000414751686 943562078 /nfs/dbraw/zinc/56/20/78/943562078.db2.gz SXLIIHVCAGFMNC-DZGCQCFKSA-N 2 0 354.441 3.649 20 0 FHADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753027 943573743 /nfs/dbraw/zinc/57/37/43/943573743.db2.gz CXLVJBGVKPAWTB-XJKCOSOUSA-N 2 0 353.304 3.593 20 0 FHADRP [NH3+]C[C@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)c1ccccc1 ZINC000435725685 943582282 /nfs/dbraw/zinc/58/22/82/943582282.db2.gz IGQIZULOLDULRH-FQEVSTJZSA-N 2 0 362.477 3.813 20 0 FHADRP COc1ccc(C[N@H+](CCc2ccccn2)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414756050 943594198 /nfs/dbraw/zinc/59/41/98/943594198.db2.gz QBIINMPUWBKEQH-ICSRJNTNSA-N 2 0 353.510 3.523 20 0 FHADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417587525 943735590 /nfs/dbraw/zinc/73/55/90/943735590.db2.gz SMLJOFVTTLEXFG-QUCCMNQESA-N 2 0 374.573 3.666 20 0 FHADRP [NH3+][C@H](CCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)CC1CCCCC1 ZINC000424191819 943780540 /nfs/dbraw/zinc/78/05/40/943780540.db2.gz IHDDUUQKTQFPQE-MRXNPFEDSA-N 2 0 364.559 3.627 20 0 FHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000516879684 943788861 /nfs/dbraw/zinc/78/88/61/943788861.db2.gz VDDWICZYNDFARR-UHFFFAOYSA-N 2 0 369.557 3.732 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257429 943795671 /nfs/dbraw/zinc/79/56/71/943795671.db2.gz SUAIWSNOQDUFOW-YRNRMSPPSA-N 2 0 373.566 3.732 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1)C(C)C ZINC000424242098 943817005 /nfs/dbraw/zinc/81/70/05/943817005.db2.gz QOMWFKNEHPBKPE-SFHVURJKSA-N 2 0 357.542 3.521 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C(=O)Nc3ccccc3)cc1)CC[NH2+]CC2 ZINC000424286560 943819326 /nfs/dbraw/zinc/81/93/26/943819326.db2.gz HGEAEULTMHAGKW-SFHVURJKSA-N 2 0 363.505 3.903 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000424278318 943833397 /nfs/dbraw/zinc/83/33/97/943833397.db2.gz IGSCIHBITATUJB-MAUKXSAKSA-N 2 0 374.912 3.766 20 0 FHADRP CCn1ccnc1CN(Cc1cccc(C2CC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000516927207 943834419 /nfs/dbraw/zinc/83/44/19/943834419.db2.gz CNPPSCZDRDUKAI-OAQYLSRUSA-N 2 0 364.537 3.925 20 0 FHADRP CC[N@H+](C[C@H](OC)C1CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000425415626 943851138 /nfs/dbraw/zinc/85/11/38/943851138.db2.gz KDGNCCRDROPLKI-IBGZPJMESA-N 2 0 360.546 3.624 20 0 FHADRP CC(C)[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000437491095 943856682 /nfs/dbraw/zinc/85/66/82/943856682.db2.gz GQMDRHMQGZCAEE-IFMALSPDSA-N 2 0 371.569 3.620 20 0 FHADRP c1cc(-c2ncc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)s2)cs1 ZINC000424381517 943890509 /nfs/dbraw/zinc/89/05/09/943890509.db2.gz QYISKSHRVQCRLL-UHFFFAOYSA-N 2 0 371.535 3.508 20 0 FHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414786373 943907646 /nfs/dbraw/zinc/90/76/46/943907646.db2.gz AXFNHSTZBVFCKU-HZMBPMFUSA-N 2 0 365.827 3.649 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000417868653 943909771 /nfs/dbraw/zinc/90/97/71/943909771.db2.gz CTWDTGGFXFVWNK-GHTZIAJQSA-N 2 0 374.573 3.577 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000424448482 943920289 /nfs/dbraw/zinc/92/02/89/943920289.db2.gz YBTBVTVFFYNNKO-UHFFFAOYSA-N 2 0 354.498 3.616 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424429448 943924153 /nfs/dbraw/zinc/92/41/53/943924153.db2.gz XAKMPORTEJEMJU-ROUUACIJSA-N 2 0 366.509 3.580 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000424431715 943925464 /nfs/dbraw/zinc/92/54/64/943925464.db2.gz GJLYKFRNRXVKFS-QZTJIDSGSA-N 2 0 358.530 3.572 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc2c(c1)CCO2 ZINC000162507072 943928419 /nfs/dbraw/zinc/92/84/19/943928419.db2.gz CCIVMVCAXAXXGT-OAQYLSRUSA-N 2 0 354.494 3.803 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CC12CCOCC2 ZINC000414791803 943944664 /nfs/dbraw/zinc/94/46/64/943944664.db2.gz RCQORAPUWORSQD-HNNXBMFYSA-N 2 0 360.498 3.742 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044846 943947193 /nfs/dbraw/zinc/94/71/93/943947193.db2.gz KESLRPYMJBEPJL-QZTJIDSGSA-N 2 0 355.530 3.566 20 0 FHADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000515520646 943974852 /nfs/dbraw/zinc/97/48/52/943974852.db2.gz HGCZTKCGRQJPLQ-YRXWBPOGSA-N 2 0 359.558 3.557 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000517089320 944006213 /nfs/dbraw/zinc/00/62/13/944006213.db2.gz PPQSZOGXIHXZFQ-CTNGQTDRSA-N 2 0 363.977 3.983 20 0 FHADRP COc1ccsc1[C@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000364220649 944089042 /nfs/dbraw/zinc/08/90/42/944089042.db2.gz RDHFTQUJMBLPHG-INIZCTEOSA-N 2 0 365.587 3.604 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414812297 944104979 /nfs/dbraw/zinc/10/49/79/944104979.db2.gz QZJJJLWHSYLAHO-LJQANCHMSA-N 3 0 366.553 3.528 20 0 FHADRP c1ccc([C@H]2CC[C@@H]([NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000436270475 944168428 /nfs/dbraw/zinc/16/84/28/944168428.db2.gz BBTUHIRLOVIYGR-FCHUYYIVSA-N 2 0 364.537 3.520 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000436291895 944179113 /nfs/dbraw/zinc/17/91/13/944179113.db2.gz AUNCTZMDIHGIPU-XNTOXWQXSA-N 2 0 356.510 3.503 20 0 FHADRP COCCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000425935252 944219698 /nfs/dbraw/zinc/21/96/98/944219698.db2.gz HLFIPMSTEUHVEB-YOEHRIQHSA-N 2 0 357.336 3.704 20 0 FHADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414974574 944253008 /nfs/dbraw/zinc/25/30/08/944253008.db2.gz NRWLGNZGOFMNEW-ZWKOTPCHSA-N 2 0 352.906 3.520 20 0 FHADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001167975081 944269749 /nfs/dbraw/zinc/26/97/49/944269749.db2.gz GRYOGUIPDRTYDK-NOTZXAQLSA-N 3 0 359.602 3.884 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000436403159 944280302 /nfs/dbraw/zinc/28/03/02/944280302.db2.gz GRUZENUVQPRTTG-FPOVZHCZSA-N 2 0 353.510 3.523 20 0 FHADRP C[C@]1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000311173272 944300837 /nfs/dbraw/zinc/30/08/37/944300837.db2.gz USMIUOQJCUPNMK-RCCFBDPRSA-N 2 0 356.432 3.598 20 0 FHADRP Clc1ccc(OCc2cccnc2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414979905 944313543 /nfs/dbraw/zinc/31/35/43/944313543.db2.gz VQGPBZMXMLKOLP-IBGZPJMESA-N 2 0 359.901 3.936 20 0 FHADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921402 944324641 /nfs/dbraw/zinc/32/46/41/944324641.db2.gz FOANVRZBWJANDK-NEPJUHHUSA-N 2 0 351.210 3.827 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000439091103 944329638 /nfs/dbraw/zinc/32/96/38/944329638.db2.gz YOBUMRLODZCNPE-IRXDYDNUSA-N 2 0 361.530 3.959 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000506481997 944331610 /nfs/dbraw/zinc/33/16/10/944331610.db2.gz RWQVHVCHBYGMGE-CTNGQTDRSA-N 2 0 363.590 3.659 20 0 FHADRP CC(C)NC(=O)CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836571 944347475 /nfs/dbraw/zinc/34/74/75/944347475.db2.gz OSWUIFAQWBDCCN-JOCHJYFZSA-N 2 0 371.569 3.524 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000473754037 944362189 /nfs/dbraw/zinc/36/21/89/944362189.db2.gz ZYCSKAFEKXTOHO-NRFANRHFSA-N 2 0 374.573 3.544 20 0 FHADRP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000518426206 944370646 /nfs/dbraw/zinc/37/06/46/944370646.db2.gz CBHPDSZNSOXWKC-MOPGFXCFSA-N 2 0 361.549 3.685 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)CC[N@H+](C)C3CC3)c2)CC1 ZINC000473770016 944388558 /nfs/dbraw/zinc/38/85/58/944388558.db2.gz QILXXWJAJLFGLY-UHFFFAOYSA-N 2 0 372.557 3.519 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC3)cc1 ZINC000425955003 944391589 /nfs/dbraw/zinc/39/15/89/944391589.db2.gz XWYNCCONUUFXGB-RHSMWYFYSA-N 2 0 359.539 3.983 20 0 FHADRP CC1(C)C[N@H+](Cc2ccnc(N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837164 944393182 /nfs/dbraw/zinc/39/31/82/944393182.db2.gz NBVOHLWGNMYIDG-QFIPXVFZSA-N 2 0 364.537 3.786 20 0 FHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000518515389 944458663 /nfs/dbraw/zinc/45/86/63/944458663.db2.gz YOZZNWPSIMIQMC-UGKGYDQZSA-N 2 0 371.569 3.540 20 0 FHADRP Cc1c(CC[NH3+])c2cc(O)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981835 944490366 /nfs/dbraw/zinc/49/03/66/944490366.db2.gz MLZCTZVBSGKMBQ-JWTNVVGKSA-N 2 0 353.510 3.734 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000426350343 944529188 /nfs/dbraw/zinc/52/91/88/944529188.db2.gz HMBKTVNYMBGUQD-SJLPKXTDSA-N 2 0 358.555 3.704 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414994965 944543829 /nfs/dbraw/zinc/54/38/29/944543829.db2.gz FGPOKNCCRPIVGT-ICSRJNTNSA-N 2 0 354.494 3.881 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414996127 944545119 /nfs/dbraw/zinc/54/51/19/944545119.db2.gz GEKKUJJLDLHPNI-ZYHUDNBSSA-N 2 0 363.246 3.658 20 0 FHADRP Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000516175891 944559600 /nfs/dbraw/zinc/55/96/00/944559600.db2.gz XDJDTFUZXQKYMN-BRWVUGGUSA-N 2 0 368.949 3.584 20 0 FHADRP CSCC1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000390625967 944582191 /nfs/dbraw/zinc/58/21/91/944582191.db2.gz DCJDCWSKAAJBOE-XVAXZDLZSA-N 2 0 362.583 3.789 20 0 FHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000518708017 944635478 /nfs/dbraw/zinc/63/54/78/944635478.db2.gz HPOKCMQRFKVGRI-UXHICEINSA-N 2 0 366.594 3.595 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000518727228 944656270 /nfs/dbraw/zinc/65/62/70/944656270.db2.gz AQRIBAXHUIQWSN-IAGOWNOFSA-N 2 0 363.552 3.590 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000418475340 944674631 /nfs/dbraw/zinc/67/46/31/944674631.db2.gz ZBNNQTWYIBVKHH-WSTZPKSXSA-N 2 0 372.557 3.502 20 0 FHADRP COC(=O)C1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000426035205 944680125 /nfs/dbraw/zinc/68/01/25/944680125.db2.gz LDFSPLAQYYFPFV-GUSVMJMASA-N 2 0 358.526 3.609 20 0 FHADRP CCC1(CC)CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438501499 944699755 /nfs/dbraw/zinc/69/97/55/944699755.db2.gz TXNQLCHKXBZTCL-IBGZPJMESA-N 2 0 371.569 3.668 20 0 FHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415000494 944713791 /nfs/dbraw/zinc/71/37/91/944713791.db2.gz KGSJPZGGNYPRIZ-AZUAARDMSA-N 2 0 372.532 3.877 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414933305 944722669 /nfs/dbraw/zinc/72/26/69/944722669.db2.gz DPOKILMKVGZBIS-CRAIPNDOSA-N 2 0 352.507 3.688 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000506906603 944725550 /nfs/dbraw/zinc/72/55/50/944725550.db2.gz AVMKLIMXQYCPHH-UHFFFAOYSA-N 2 0 356.514 3.639 20 0 FHADRP c1sc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1-c1ccccc1 ZINC000506890148 944731185 /nfs/dbraw/zinc/73/11/85/944731185.db2.gz JRSAAYCNQCSJDV-UHFFFAOYSA-N 2 0 356.535 3.959 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506928838 944764787 /nfs/dbraw/zinc/76/47/87/944764787.db2.gz PZXCWXQLDCTLJM-UHFFFAOYSA-N 2 0 374.960 3.975 20 0 FHADRP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000415002897 944806638 /nfs/dbraw/zinc/80/66/38/944806638.db2.gz MPMPUPNNCJRCKM-PZJWPPBQSA-N 2 0 370.516 3.548 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445030 944824854 /nfs/dbraw/zinc/82/48/54/944824854.db2.gz KUGRDMFTRVIQLO-WOJBJXKFSA-N 2 0 363.590 3.612 20 0 FHADRP OC1CC[NH+](Cc2ccc(CNc3cc[nH+]c4cc(F)ccc34)cc2)CC1 ZINC000500418274 944844491 /nfs/dbraw/zinc/84/44/91/944844491.db2.gz FADSCSZXOOFRFU-UHFFFAOYSA-N 2 0 365.452 3.943 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414943138 944936374 /nfs/dbraw/zinc/93/63/74/944936374.db2.gz NKTRVABFSDWOPE-PGRDOPGGSA-N 2 0 360.505 3.935 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)cc2)c1 ZINC000414944595 944963749 /nfs/dbraw/zinc/96/37/49/944963749.db2.gz QFUNMXOPHPWZDO-YCRPNKLZSA-N 2 0 356.466 3.584 20 0 FHADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000511741306 944979640 /nfs/dbraw/zinc/97/96/40/944979640.db2.gz LBFPEDQQAJHLEN-QGZVFWFLSA-N 2 0 371.525 3.805 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414947242 944990744 /nfs/dbraw/zinc/99/07/44/944990744.db2.gz VXBURNPUXZXITI-RNCFNFMXSA-N 2 0 351.210 3.556 20 0 FHADRP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427469965 945399996 /nfs/dbraw/zinc/39/99/96/945399996.db2.gz OXCGDEFGMYOBCF-PZJWPPBQSA-N 2 0 371.569 3.525 20 0 FHADRP c1cnc2ccc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc2c1 ZINC000507719257 945473629 /nfs/dbraw/zinc/47/36/29/945473629.db2.gz ALSKXMFOKMBMPB-UHFFFAOYSA-N 2 0 353.510 3.559 20 0 FHADRP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CCC2 ZINC000280948200 945476839 /nfs/dbraw/zinc/47/68/39/945476839.db2.gz INFNCINUNLLWEH-HSZRJFAPSA-N 2 0 366.505 3.516 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000280977707 945486269 /nfs/dbraw/zinc/48/62/69/945486269.db2.gz UEULJMRVSVNQKA-UHFFFAOYSA-N 2 0 369.900 3.662 20 0 FHADRP CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccsc1 ZINC000187693832 945561955 /nfs/dbraw/zinc/56/19/55/945561955.db2.gz BSNBGFWXVWQDKJ-IBGZPJMESA-N 2 0 359.539 3.671 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415129335 945691848 /nfs/dbraw/zinc/69/18/48/945691848.db2.gz PGRDCMLWVXJSHN-SJLPKXTDSA-N 2 0 370.541 3.730 20 0 FHADRP [NH3+][C@@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000119585597 945692534 /nfs/dbraw/zinc/69/25/34/945692534.db2.gz VOEJFBGIYFWZBZ-QFIPXVFZSA-N 2 0 365.521 3.769 20 0 FHADRP C[NH+](C)Cc1ccc(F)c(-c2ccc([C@H]([NH3+])CO)c(C(F)(F)F)c2)c1 ZINC000629736354 945787890 /nfs/dbraw/zinc/78/78/90/945787890.db2.gz FGGYRLLTWAMRDY-QGZVFWFLSA-N 2 0 356.363 3.565 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC2(OC)CCC2)CC1 ZINC000549535657 945858885 /nfs/dbraw/zinc/85/88/85/945858885.db2.gz IWEGFHXFFZDABJ-KRWDZBQOSA-N 2 0 363.521 3.577 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415925399 945921596 /nfs/dbraw/zinc/92/15/96/945921596.db2.gz AOHIMBOQJGZAOM-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP OC1CC[NH+](Cc2ccccc2CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000301771729 945958724 /nfs/dbraw/zinc/95/87/24/945958724.db2.gz PMITYVDDKYPPSM-UHFFFAOYSA-N 2 0 365.452 3.943 20 0 FHADRP C[NH+](C)C1CCN(CCNc2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC000302061614 946102641 /nfs/dbraw/zinc/10/26/41/946102641.db2.gz RKCKQKYVJXIZTG-UHFFFAOYSA-N 2 0 367.324 3.980 20 0 FHADRP CCc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2[nH+]1 ZINC000302063616 946103886 /nfs/dbraw/zinc/10/38/86/946103886.db2.gz UZGLTRWTTNEDCZ-FQEVSTJZSA-N 2 0 361.489 3.976 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000520205968 946266579 /nfs/dbraw/zinc/26/65/79/946266579.db2.gz LGCSKTURSBRIRF-UHFFFAOYSA-N 2 0 352.482 3.573 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000302904802 946378394 /nfs/dbraw/zinc/37/83/94/946378394.db2.gz VHYACCYSVRVONX-IBGZPJMESA-N 2 0 365.452 3.943 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccccc1Oc1cccnc1 ZINC000441271546 946383420 /nfs/dbraw/zinc/38/34/20/946383420.db2.gz RBXZGZCEXGTODY-CBQOVEMMSA-N 2 0 367.493 3.557 20 0 FHADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000475132640 946468739 /nfs/dbraw/zinc/46/87/39/946468739.db2.gz AQFUZMQOZBPUHM-UXHICEINSA-N 2 0 373.928 3.800 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000520363535 946499526 /nfs/dbraw/zinc/49/95/26/946499526.db2.gz MMFQAECVUTXMMS-KDURUIRLSA-N 2 0 371.569 3.769 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432229862 946524926 /nfs/dbraw/zinc/52/49/26/946524926.db2.gz VQOCSRLEUFIPBO-UHFFFAOYSA-N 2 0 362.320 3.640 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1 ZINC000025702425 946560399 /nfs/dbraw/zinc/56/03/99/946560399.db2.gz IGUKSJXLUAAVHB-SFHVURJKSA-N 2 0 351.494 3.789 20 0 FHADRP Cc1nnc([C@@H]2CCC[N@@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)o1 ZINC001168058211 946608382 /nfs/dbraw/zinc/60/83/82/946608382.db2.gz PCYCNKFTBDGLDH-MBOZVWFJSA-N 2 0 368.525 3.999 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)CC1 ZINC000192683152 946608812 /nfs/dbraw/zinc/60/88/12/946608812.db2.gz GPHDVIAXJQNKNP-NRFANRHFSA-N 2 0 353.510 3.584 20 0 FHADRP C[C@H]1CC(N2CCC[C@@H]2C[NH+]2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059329 946670397 /nfs/dbraw/zinc/67/03/97/946670397.db2.gz DNFSGCUWVCAEDL-JAXLGGSGSA-N 2 0 355.570 3.988 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C[C@@H](C)O1 ZINC000544379665 946705375 /nfs/dbraw/zinc/70/53/75/946705375.db2.gz SNTKNIUSDSPDBU-HMFYCAOWSA-N 2 0 371.500 3.789 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000112657649 946712722 /nfs/dbraw/zinc/71/27/22/946712722.db2.gz CFYQKVMQMPXUFY-NRFANRHFSA-N 2 0 352.526 3.816 20 0 FHADRP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)C2 ZINC000475575553 946721333 /nfs/dbraw/zinc/72/13/33/946721333.db2.gz RKICZGNPXGQYSH-VIQWUECVSA-N 2 0 363.343 3.913 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccnn1C ZINC000192849300 946783647 /nfs/dbraw/zinc/78/36/47/946783647.db2.gz FWTGXOBZTFKNMI-LJQANCHMSA-N 2 0 354.542 3.806 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000475277759 946797245 /nfs/dbraw/zinc/79/72/45/946797245.db2.gz GOTABUVTWFRHLE-UHFFFAOYSA-N 2 0 361.493 3.582 20 0 FHADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270479 946803510 /nfs/dbraw/zinc/80/35/10/946803510.db2.gz RDHHZQQCEYMNKG-MAUKXSAKSA-N 2 0 369.475 3.990 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824616932 946864023 /nfs/dbraw/zinc/86/40/23/946864023.db2.gz BKZJBCUGDXEDEJ-INIZCTEOSA-N 2 0 364.497 3.558 20 0 FHADRP CC[N@H+]1CC=C(c2cnc(N(C(N)=[NH2+])c3ccc(F)cc3)c(C)c2)CC1 ZINC001167993896 946867936 /nfs/dbraw/zinc/86/79/36/946867936.db2.gz ZNYCKAQEMIBTPS-UHFFFAOYSA-N 2 0 353.445 3.670 20 0 FHADRP C[C@@H]1CC([NH+]2CCC(n3ccnc3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061371 946889522 /nfs/dbraw/zinc/88/95/22/946889522.db2.gz IBNWWSPKTKUBMN-RTBURBONSA-N 2 0 352.526 3.962 20 0 FHADRP COc1ccccc1O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995153 946892215 /nfs/dbraw/zinc/89/22/15/946892215.db2.gz XUQZNZVSKMNWMU-XNMUZJSGSA-N 2 0 356.510 3.554 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348392 946892490 /nfs/dbraw/zinc/89/24/90/946892490.db2.gz BVINLWAXGZSNSM-KCMWZYNZSA-N 2 0 367.331 3.728 20 0 FHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350446 946895526 /nfs/dbraw/zinc/89/55/26/946895526.db2.gz ZKZKKCSTUSRRJX-AETAKHFUSA-N 2 0 367.331 3.728 20 0 FHADRP O=C(c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000647978153 946933615 /nfs/dbraw/zinc/93/36/15/946933615.db2.gz NISWUIBFNRFNAK-FGZHOGPDSA-N 2 0 369.553 3.524 20 0 FHADRP C[C@H]1CC([N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062624 946973664 /nfs/dbraw/zinc/97/36/64/946973664.db2.gz KRCSZLOGMONKNP-PMACEKPBSA-N 3 0 355.570 3.846 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655711117 946981291 /nfs/dbraw/zinc/98/12/91/946981291.db2.gz FESQJCUEHLDNNR-IBGZPJMESA-N 2 0 358.917 3.873 20 0 FHADRP C[C@H]1CC([NH+]2CCC(N3CC(F)C3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063966 947044955 /nfs/dbraw/zinc/04/49/55/947044955.db2.gz OSDDSOWHJVAZLA-ROUUACIJSA-N 2 0 359.533 3.546 20 0 FHADRP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995867 947058420 /nfs/dbraw/zinc/05/84/20/947058420.db2.gz SXGINWIIXIKEIJ-AIZNXBIQSA-N 2 0 353.554 3.518 20 0 FHADRP CCc1cc(N2CCCN(Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000124531324 947071412 /nfs/dbraw/zinc/07/14/12/947071412.db2.gz DTVVWIOSPHDZOJ-UHFFFAOYSA-N 2 0 352.507 3.966 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000192923525 947104980 /nfs/dbraw/zinc/10/49/80/947104980.db2.gz YJDBHSLVYXDJRG-RXVVDRJESA-N 2 0 368.521 3.747 20 0 FHADRP Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000663188210 947331557 /nfs/dbraw/zinc/33/15/57/947331557.db2.gz DFZMBPFCXQJMQQ-QFIPXVFZSA-N 2 0 364.537 3.908 20 0 FHADRP O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523611964 947419793 /nfs/dbraw/zinc/41/97/93/947419793.db2.gz KRNGDMZQPOCKPA-QFIPXVFZSA-N 2 0 369.553 3.553 20 0 FHADRP O[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188601255 947498985 /nfs/dbraw/zinc/49/89/85/947498985.db2.gz KPWUXFHKTPFGKW-CRAIPNDOSA-N 2 0 362.480 3.857 20 0 FHADRP O[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188601185 947499582 /nfs/dbraw/zinc/49/95/82/947499582.db2.gz KPWUXFHKTPFGKW-YJBOKZPZSA-N 2 0 362.480 3.857 20 0 FHADRP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c2ccccc12 ZINC000475622893 947523583 /nfs/dbraw/zinc/52/35/83/947523583.db2.gz ZISJAWPHKSVLRQ-UHFFFAOYSA-N 2 0 363.461 3.574 20 0 FHADRP COc1cccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]2CCCO2)c1 ZINC000662252556 947674292 /nfs/dbraw/zinc/67/42/92/947674292.db2.gz AJWMTXGFNYLJGI-JOCHJYFZSA-N 2 0 366.505 3.522 20 0 FHADRP Fc1ccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CCOCC2)cc1 ZINC000662279015 947702706 /nfs/dbraw/zinc/70/27/06/947702706.db2.gz OQSBEDLPEGJHIN-UHFFFAOYSA-N 2 0 354.469 3.653 20 0 FHADRP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296008 947722249 /nfs/dbraw/zinc/72/22/49/947722249.db2.gz JVRNCTUSSNTEMS-CRAIPNDOSA-N 2 0 372.488 3.957 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)ccc1F ZINC000662296009 947722577 /nfs/dbraw/zinc/72/25/77/947722577.db2.gz JVRNCTUSSNTEMS-MAUKXSAKSA-N 2 0 372.488 3.957 20 0 FHADRP CCc1ccc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000662327459 947759363 /nfs/dbraw/zinc/75/93/63/947759363.db2.gz ORPVIUOQUCJAHW-UHFFFAOYSA-N 2 0 366.553 3.861 20 0 FHADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328551 947759758 /nfs/dbraw/zinc/75/97/58/947759758.db2.gz SMNAQRHBJWQQBA-VGOFRKELSA-N 2 0 374.573 3.651 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662390222 947769304 /nfs/dbraw/zinc/76/93/04/947769304.db2.gz YSGHJVKVAYPOEQ-KRWDZBQOSA-N 2 0 363.505 3.594 20 0 FHADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000662381762 947775056 /nfs/dbraw/zinc/77/50/56/947775056.db2.gz DHTGFHJWCJGEAY-UHFFFAOYSA-N 2 0 355.507 3.632 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OC(F)F ZINC000663347592 947820910 /nfs/dbraw/zinc/82/09/10/947820910.db2.gz PNSOFVVGUXSPDX-MRXNPFEDSA-N 2 0 354.441 3.508 20 0 FHADRP CCC(CC)(CNC(=O)c1cccc2c1C[NH2+]C2)[NH2+][C@H](C)c1ccccc1 ZINC000662453693 947824840 /nfs/dbraw/zinc/82/48/40/947824840.db2.gz DFIZBTXJMQVLRI-QGZVFWFLSA-N 2 0 365.521 3.929 20 0 FHADRP OC[C@@]1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCc2ccccc21 ZINC000663355738 947834307 /nfs/dbraw/zinc/83/43/07/947834307.db2.gz DLOHSXCSZUTJKQ-QHCPKHFHSA-N 2 0 350.506 3.596 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000165287955 947875222 /nfs/dbraw/zinc/87/52/22/947875222.db2.gz CNIGUUSBWVFFAW-RXVVDRJESA-N 2 0 365.521 3.860 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000662502167 947875972 /nfs/dbraw/zinc/87/59/72/947875972.db2.gz JYADZIBJNUQCQQ-BDTNDASRSA-N 2 0 371.569 3.511 20 0 FHADRP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(N)=O)cc1 ZINC000165383718 947939100 /nfs/dbraw/zinc/93/91/00/947939100.db2.gz QPIFTBARMWWPEL-HZPDHXFCSA-N 2 0 370.497 3.529 20 0 FHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663463655 948050067 /nfs/dbraw/zinc/05/00/67/948050067.db2.gz ASZFHNBNVBCFEL-ZHALLVOQSA-N 2 0 360.542 3.907 20 0 FHADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467512 948054584 /nfs/dbraw/zinc/05/45/84/948054584.db2.gz GLIYCMXSZHUIEX-IEBWSBKVSA-N 2 0 357.542 3.678 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001167822163 948087032 /nfs/dbraw/zinc/08/70/32/948087032.db2.gz GSVDUBGHUMNHGV-FQEVSTJZSA-N 2 0 373.589 3.670 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001167823547 948100799 /nfs/dbraw/zinc/10/07/99/948100799.db2.gz DIEHFINRDBBMTD-REWPJTCUSA-N 2 0 371.569 3.934 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC001167824936 948115139 /nfs/dbraw/zinc/11/51/39/948115139.db2.gz JAHLYCKONMHUSM-GOSISDBHSA-N 2 0 357.546 3.728 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825129 948119056 /nfs/dbraw/zinc/11/90/56/948119056.db2.gz REEUMSFYJNSTEP-RTBURBONSA-N 2 0 363.594 3.610 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001167825586 948125607 /nfs/dbraw/zinc/12/56/07/948125607.db2.gz RPXCNEDBQBAGSI-MZYLBHOOSA-N 3 0 357.586 3.869 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC001167826189 948128577 /nfs/dbraw/zinc/12/85/77/948128577.db2.gz OMXRXBNLRQSIHJ-IBGZPJMESA-N 2 0 351.579 3.612 20 0 FHADRP Cc1cccc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001168001801 948130609 /nfs/dbraw/zinc/13/06/09/948130609.db2.gz HXRGRUKOZMLENW-JGUMPVPUSA-N 2 0 355.526 3.639 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001167827285 948141460 /nfs/dbraw/zinc/14/14/60/948141460.db2.gz VPXGFDCKJFGPAF-KRWDZBQOSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001167828140 948167663 /nfs/dbraw/zinc/16/76/63/948167663.db2.gz ZYRZRXVUJWFZBU-SFHVURJKSA-N 2 0 367.578 3.830 20 0 FHADRP Cc1cccnc1O[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002124 948216209 /nfs/dbraw/zinc/21/62/09/948216209.db2.gz MYPACZBPKRHGOK-JKWVGCSGSA-N 2 0 355.526 3.639 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000512045277 948299523 /nfs/dbraw/zinc/29/95/23/948299523.db2.gz LPIFIMFAMIZHAQ-BQFGZSDQSA-N 2 0 352.469 3.705 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000512045280 948299651 /nfs/dbraw/zinc/29/96/51/948299651.db2.gz LPIFIMFAMIZHAQ-XGBCVQCSSA-N 2 0 352.469 3.705 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836802 948307863 /nfs/dbraw/zinc/30/78/63/948307863.db2.gz HLSAGJUFRNJZQF-MSOLQXFVSA-N 2 0 355.567 3.876 20 0 FHADRP C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(Br)c1 ZINC000432411312 948362607 /nfs/dbraw/zinc/36/26/07/948362607.db2.gz XFLNFQMIXARMRH-GJZGRUSLSA-N 2 0 355.320 3.601 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001167841602 948363236 /nfs/dbraw/zinc/36/32/36/948363236.db2.gz MWZHOUNCCMGYKJ-MSOLQXFVSA-N 2 0 355.567 3.828 20 0 FHADRP O[C@@H](C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1)C[NH+]1CCCC1 ZINC000432417052 948373118 /nfs/dbraw/zinc/37/31/18/948373118.db2.gz UECMMNYMXBXHEL-PPSBMQLTSA-N 2 0 370.459 3.778 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842887 948397006 /nfs/dbraw/zinc/39/70/06/948397006.db2.gz ZOWWKFLRYFFTIZ-HTAPYJJXSA-N 2 0 358.526 3.838 20 0 FHADRP CCc1ccc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cn1 ZINC000512099077 948415177 /nfs/dbraw/zinc/41/51/77/948415177.db2.gz LYKZBAMYQXTBPW-UHFFFAOYSA-N 2 0 353.510 3.654 20 0 FHADRP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000520623224 948432316 /nfs/dbraw/zinc/43/23/16/948432316.db2.gz GUFZWPQPEMSAQS-NRFANRHFSA-N 2 0 368.521 3.507 20 0 FHADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000390929402 948454266 /nfs/dbraw/zinc/45/42/66/948454266.db2.gz ZLROHYIGXTZRIL-RBUKOAKNSA-N 2 0 369.475 3.515 20 0 FHADRP CCC(CC)(CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417706507 948551024 /nfs/dbraw/zinc/55/10/24/948551024.db2.gz PBUFYBIGZWGSJQ-WSTZPKSXSA-N 2 0 374.573 3.583 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000066990645 948576732 /nfs/dbraw/zinc/57/67/32/948576732.db2.gz ROAFOSKRWZWXKD-CALCHBBNSA-N 2 0 359.539 3.789 20 0 FHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000074067349 948708101 /nfs/dbraw/zinc/70/81/01/948708101.db2.gz PZFSSFHVPJKOEM-FQEVSTJZSA-N 2 0 352.482 3.772 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008272 948775052 /nfs/dbraw/zinc/77/50/52/948775052.db2.gz WZUWXWQQBZVDOB-IYRWYFENSA-N 2 0 352.522 3.925 20 0 FHADRP C[N@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000524017962 948782811 /nfs/dbraw/zinc/78/28/11/948782811.db2.gz YRLBUDNIUGQTTD-UHFFFAOYSA-N 2 0 372.557 3.711 20 0 FHADRP Cc1ccc2cc(CN3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)ccc2n1 ZINC000187078748 948785764 /nfs/dbraw/zinc/78/57/64/948785764.db2.gz DRCITGRNKWHNTR-BGYRXZFFSA-N 2 0 366.553 3.534 20 0 FHADRP C[C@@]12CC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]1C2(F)F ZINC000644835203 568010188 /nfs/dbraw/zinc/01/01/88/568010188.db2.gz XGDGVGIIEQLLON-RBUKOAKNSA-N 2 0 350.453 3.638 20 0 FHADRP Cc1cccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000522783930 568186785 /nfs/dbraw/zinc/18/67/85/568186785.db2.gz JDBMBRPGOMNTMK-JOCHJYFZSA-N 2 0 371.569 3.901 20 0 FHADRP Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Oc1ccncc1 ZINC000604220012 568230396 /nfs/dbraw/zinc/23/03/96/568230396.db2.gz GHGUATNJMFPSKQ-RBUKOAKNSA-N 2 0 351.450 3.539 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000604414813 568279588 /nfs/dbraw/zinc/27/95/88/568279588.db2.gz ANTMHQCPPSFTNB-UHFFFAOYSA-N 2 0 359.489 3.510 20 0 FHADRP Cn1ccnc1CN(Cc1csc2ccccc12)[C@H]1CC12CC[NH2+]CC2 ZINC000275791403 570725642 /nfs/dbraw/zinc/72/56/42/570725642.db2.gz UHOWXRYVFUPVME-IBGZPJMESA-N 2 0 366.534 3.779 20 0 FHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc1 ZINC001164620025 719124749 /nfs/dbraw/zinc/12/47/49/719124749.db2.gz GMVJDAWMUOXJSO-GBESFXJTSA-N 2 0 360.521 3.532 20 0 FHADRP Cc1cc(C)[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836994 720660715 /nfs/dbraw/zinc/66/07/15/720660715.db2.gz APSVLZZNDFSXTJ-NRFANRHFSA-N 2 0 365.521 3.958 20 0 FHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCC[C@H]3c3cccnc3)c2)CC1 ZINC001165045785 721963836 /nfs/dbraw/zinc/96/38/36/721963836.db2.gz ARNVNVSEMCBZPB-FQEVSTJZSA-N 2 0 352.482 3.681 20 0 FHADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000582945260 936316227 /nfs/dbraw/zinc/31/62/27/936316227.db2.gz UIVJJSVFGIEYSH-UHFFFAOYSA-N 2 0 371.500 3.735 20 0 FHADRP Cc1ccccc1Cc1noc(CN2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000079413295 937083275 /nfs/dbraw/zinc/08/32/75/937083275.db2.gz UBUOIIHOLLBQEW-UHFFFAOYSA-N 2 0 356.514 3.521 20 0 FHADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162503608 937145693 /nfs/dbraw/zinc/14/56/93/937145693.db2.gz GVJWWCBRNHHTPD-LJQANCHMSA-N 2 0 367.537 3.650 20 0 FHADRP CC[C@@H](Cc1cccs1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000643544632 927381100 /nfs/dbraw/zinc/38/11/00/927381100.db2.gz KXJWXMOPFWXNMU-IBGZPJMESA-N 2 0 357.567 3.652 20 0 FHADRP CS[C@@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@@H](SC)C3)ccc2F)C1 ZINC000579797377 927541661 /nfs/dbraw/zinc/54/16/61/927541661.db2.gz WBHDJYMDBPDIAR-IAGOWNOFSA-N 2 0 354.560 3.700 20 0 FHADRP CS[C@@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](SC)C3)ccc2F)C1 ZINC000579797376 927542105 /nfs/dbraw/zinc/54/21/05/927542105.db2.gz WBHDJYMDBPDIAR-DLBZAZTESA-N 2 0 354.560 3.700 20 0 FHADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000274740650 927765186 /nfs/dbraw/zinc/76/51/86/927765186.db2.gz ADYHWSLUQWJJCK-BUMZBHGASA-N 2 0 362.583 3.566 20 0 FHADRP Fc1cccc(Cl)c1CCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000278112484 937202020 /nfs/dbraw/zinc/20/20/20/937202020.db2.gz BQVMLKJYXMLXFW-HNNXBMFYSA-N 2 0 354.897 3.502 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000119206827 928079814 /nfs/dbraw/zinc/07/98/14/928079814.db2.gz ZWDOJWNSZKNCLL-NQIIRXRSSA-N 2 0 359.558 3.542 20 0 FHADRP CCC1CCC([N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2CC2)CC1 ZINC001167070140 928197537 /nfs/dbraw/zinc/19/75/37/928197537.db2.gz DDNPLOBSIGTXNE-ZNIKRAEXSA-N 2 0 371.569 3.839 20 0 FHADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000683228114 928372906 /nfs/dbraw/zinc/37/29/06/928372906.db2.gz UPKHPAPXDCJYGH-JOCHJYFZSA-N 2 0 369.528 3.725 20 0 FHADRP FC(F)Oc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000583218325 937246174 /nfs/dbraw/zinc/24/61/74/937246174.db2.gz UXQPPQOINOJHIK-IPMKNSEASA-N 2 0 373.447 3.683 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000154870063 937261986 /nfs/dbraw/zinc/26/19/86/937261986.db2.gz ASOXAXQZHZIJEU-OIBXWCBGSA-N 3 0 373.585 3.506 20 0 FHADRP C[C@H](c1ccccc1Br)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320422 928746122 /nfs/dbraw/zinc/74/61/22/928746122.db2.gz BSSCKZXPVBZAPN-CABCVRRESA-N 2 0 355.320 3.553 20 0 FHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000179453249 928755212 /nfs/dbraw/zinc/75/52/12/928755212.db2.gz MMHLUWPMIDSPTO-QGZVFWFLSA-N 2 0 367.331 3.529 20 0 FHADRP C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131289 928919853 /nfs/dbraw/zinc/91/98/53/928919853.db2.gz QTRBPGKSMKEAJP-KCZVDYSFSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978086 929095947 /nfs/dbraw/zinc/09/59/47/929095947.db2.gz YYKBHOAFCWHVGH-AJSBUHFISA-N 2 0 352.522 3.653 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180109018 929377501 /nfs/dbraw/zinc/37/75/01/929377501.db2.gz JSUHUUXZNJZIHH-QHCPKHFHSA-N 2 0 351.538 3.702 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180119204 929380303 /nfs/dbraw/zinc/38/03/03/929380303.db2.gz UDJSIRIIMLTSRF-REWPJTCUSA-N 2 0 351.538 3.700 20 0 FHADRP CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209159474 929386611 /nfs/dbraw/zinc/38/66/11/929386611.db2.gz UICJOEWHNSBFLQ-LEWJYISDSA-N 2 0 358.526 3.562 20 0 FHADRP C[NH+]1CCN(c2cc(C[NH2+]C(c3ccccc3)c3ccccc3)ccn2)CC1 ZINC000180138362 929394132 /nfs/dbraw/zinc/39/41/32/929394132.db2.gz WKCAAHPANAOONG-UHFFFAOYSA-N 2 0 372.516 3.713 20 0 FHADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180439050 929511052 /nfs/dbraw/zinc/51/10/52/929511052.db2.gz JASIXUZXQAFFHJ-AVRDEDQJSA-N 2 0 371.956 3.903 20 0 FHADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180439105 929511210 /nfs/dbraw/zinc/51/12/10/929511210.db2.gz JASIXUZXQAFFHJ-XMSQKQJNSA-N 2 0 371.956 3.903 20 0 FHADRP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000275661657 929766021 /nfs/dbraw/zinc/76/60/21/929766021.db2.gz OCPWEJYOVZHBIH-MJGOQNOKSA-N 2 0 372.557 3.565 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccnc(Cl)c3)cc2)CC1 ZINC000160322787 929787362 /nfs/dbraw/zinc/78/73/62/929787362.db2.gz LPSMTMTUQUDXPN-QGZVFWFLSA-N 2 0 372.944 3.723 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)CC3 ZINC000123477829 930015821 /nfs/dbraw/zinc/01/58/21/930015821.db2.gz MXIXGJNVWKVEPF-ZWKOTPCHSA-N 2 0 369.553 3.991 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)CC3 ZINC000123477565 930015927 /nfs/dbraw/zinc/01/59/27/930015927.db2.gz MXIXGJNVWKVEPF-QZTJIDSGSA-N 2 0 369.553 3.991 20 0 FHADRP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000152350924 930263166 /nfs/dbraw/zinc/26/31/66/930263166.db2.gz YPKIGDSJJYXWIX-IBGZPJMESA-N 2 0 365.521 3.956 20 0 FHADRP CCCC(O)(CCC)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150959232 937399997 /nfs/dbraw/zinc/39/99/97/937399997.db2.gz DTZMUQHZAGHOCK-UHFFFAOYSA-N 2 0 361.574 3.638 20 0 FHADRP Cc1cc(N2CC[NH+](Cc3ccc4cnccc4c3)CC2)nc(C(C)C)n1 ZINC000683825603 930312592 /nfs/dbraw/zinc/31/25/92/930312592.db2.gz KAMSAUPYXPTJDQ-UHFFFAOYSA-N 2 0 361.493 3.779 20 0 FHADRP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000580182425 930337924 /nfs/dbraw/zinc/33/79/24/930337924.db2.gz UGOYSWHRDYCQJJ-MRXNPFEDSA-N 2 0 367.522 3.654 20 0 FHADRP C[NH+](C)CCOc1ccc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000683933703 930659607 /nfs/dbraw/zinc/65/96/07/930659607.db2.gz WUFBEDGKPCDDDN-OAQYLSRUSA-N 2 0 369.509 3.624 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000580454440 930693216 /nfs/dbraw/zinc/69/32/16/930693216.db2.gz KAVXKHRRVPVNDO-FQEVSTJZSA-N 2 0 352.563 3.549 20 0 FHADRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000160511266 930727173 /nfs/dbraw/zinc/72/71/73/930727173.db2.gz SKZLSESVDMWMMI-UHFFFAOYSA-N 2 0 372.513 3.560 20 0 FHADRP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000656250677 930845491 /nfs/dbraw/zinc/84/54/91/930845491.db2.gz XWUCERSAUWRSSD-UHFFFAOYSA-N 2 0 356.489 3.628 20 0 FHADRP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000656250317 930848743 /nfs/dbraw/zinc/84/87/43/930848743.db2.gz MRQUUQXZCKJMLS-UHFFFAOYSA-N 2 0 358.505 3.872 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000471604664 930956124 /nfs/dbraw/zinc/95/61/24/930956124.db2.gz YTQARJBHJXUSRE-GUYCJALGSA-N 2 0 356.341 3.596 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000047978510 930967556 /nfs/dbraw/zinc/96/75/56/930967556.db2.gz ZRXFBHMIOWALOZ-HXUWFJFHSA-N 2 0 362.558 3.604 20 0 FHADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2C1 ZINC000158272338 931048770 /nfs/dbraw/zinc/04/87/70/931048770.db2.gz WVPSDTNXWJYFKH-UHFFFAOYSA-N 2 0 351.494 3.972 20 0 FHADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684112812 931353192 /nfs/dbraw/zinc/35/31/92/931353192.db2.gz CBODITSDYSHDAG-VXKWHMMOSA-N 2 0 366.553 3.948 20 0 FHADRP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(CCC[NH+]3CCCCC3)C2)cc1 ZINC000656407906 931597941 /nfs/dbraw/zinc/59/79/41/931597941.db2.gz UQJYNTWNWFZMSF-ZJZGAYNASA-N 2 0 367.581 3.705 20 0 FHADRP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOc2ccccc2)cc1 ZINC000656406686 931603346 /nfs/dbraw/zinc/60/33/46/931603346.db2.gz VXAODDJTKGHXQT-XGAJZPNHSA-N 2 0 362.517 3.908 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000581192810 931652619 /nfs/dbraw/zinc/65/26/19/931652619.db2.gz ZKRYWHDVXYMIEL-IRLDBZIGSA-N 2 0 363.505 3.688 20 0 FHADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cn2)c1 ZINC000581207099 931674560 /nfs/dbraw/zinc/67/45/60/931674560.db2.gz YNOFYAACSRBXRM-NJYVYQBISA-N 2 0 367.493 3.845 20 0 FHADRP C[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156334 931729535 /nfs/dbraw/zinc/72/95/35/931729535.db2.gz IOFONQSDDWWNLY-NZQKXSOJSA-N 2 0 374.532 3.915 20 0 FHADRP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581280377 931778564 /nfs/dbraw/zinc/77/85/64/931778564.db2.gz AJZOGRZJZHVFLW-NHCUHLMSSA-N 2 0 372.553 3.952 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000430552025 931805532 /nfs/dbraw/zinc/80/55/32/931805532.db2.gz APJOCTONDVXJOZ-UHFFFAOYSA-N 2 0 351.494 3.760 20 0 FHADRP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1)C1CCC1 ZINC000581304558 931807984 /nfs/dbraw/zinc/80/79/84/931807984.db2.gz LNZHMQNJYLVNCL-QHAWAJNXSA-N 2 0 355.526 3.826 20 0 FHADRP Cc1ncncc1[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000581320716 931827012 /nfs/dbraw/zinc/82/70/12/931827012.db2.gz MBZCSYBOFPVLHZ-GOSISDBHSA-N 2 0 368.525 3.507 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511703597 931924473 /nfs/dbraw/zinc/92/44/73/931924473.db2.gz RDJGUVGHFKEONR-LJQANCHMSA-N 2 0 367.537 3.779 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598002 932029330 /nfs/dbraw/zinc/02/93/30/932029330.db2.gz NDUOBTQDLCPJIY-JSGCOSHPSA-N 2 0 364.287 3.663 20 0 FHADRP CCOc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCO2 ZINC000656550857 932059272 /nfs/dbraw/zinc/05/92/72/932059272.db2.gz LLOQPOJCNQFEEL-HXUWFJFHSA-N 2 0 353.466 3.563 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000510430203 932177743 /nfs/dbraw/zinc/17/77/43/932177743.db2.gz RXGYFKZPCYYPTJ-JOCHJYFZSA-N 2 0 359.533 3.694 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(-c2ccncc2)c1 ZINC000581515980 932192671 /nfs/dbraw/zinc/19/26/71/932192671.db2.gz RJDWDDAYAQSBQA-HSZRJFAPSA-N 2 0 366.553 3.597 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000430613773 932264944 /nfs/dbraw/zinc/26/49/44/932264944.db2.gz WULDNPGMFFYBPK-UHFFFAOYSA-N 2 0 355.429 4.000 20 0 FHADRP CC(C)OCC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090188288 932284904 /nfs/dbraw/zinc/28/49/04/932284904.db2.gz JIIPTGOBPIISMW-QFIPXVFZSA-N 2 0 373.585 3.519 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000581596080 932291515 /nfs/dbraw/zinc/29/15/15/932291515.db2.gz RYCGATVQKOQZGU-KNQAVFIVSA-N 2 0 371.569 3.586 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC000656786249 932418403 /nfs/dbraw/zinc/41/84/03/932418403.db2.gz QVNMUQIHSBURQV-OAHLLOKOSA-N 2 0 354.441 3.508 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)nc1 ZINC000656784537 932419113 /nfs/dbraw/zinc/41/91/13/932419113.db2.gz DSMNMVLHZAICHY-OAQYLSRUSA-N 2 0 365.521 3.872 20 0 FHADRP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786592 932421087 /nfs/dbraw/zinc/42/10/87/932421087.db2.gz UZKAKGPIZJZYMO-KRWDZBQOSA-N 2 0 358.917 3.942 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc(Cl)c1OC ZINC000656786731 932426104 /nfs/dbraw/zinc/42/61/04/932426104.db2.gz XCPNSQAZYKKRPE-INIZCTEOSA-N 2 0 352.906 3.569 20 0 FHADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Br)C1 ZINC000581689567 932507397 /nfs/dbraw/zinc/50/73/97/932507397.db2.gz XMKORRXDFPTDBN-KGLIPLIRSA-N 2 0 357.311 3.839 20 0 FHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000581726146 932559707 /nfs/dbraw/zinc/55/97/07/932559707.db2.gz BMTXUBLSLRLLNK-IAGOWNOFSA-N 2 0 364.468 3.848 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000581748727 932600983 /nfs/dbraw/zinc/60/09/83/932600983.db2.gz NZFXVYKBAROWJH-IRLDBZIGSA-N 2 0 367.537 3.913 20 0 FHADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000090404922 932617236 /nfs/dbraw/zinc/61/72/36/932617236.db2.gz FYHDOOLOJAMOPP-KRWDZBQOSA-N 2 0 358.555 3.705 20 0 FHADRP C[NH+](C)CC1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891610702 932837242 /nfs/dbraw/zinc/83/72/42/932837242.db2.gz CEMXLTAIKMEPBN-UHFFFAOYSA-N 2 0 353.532 3.869 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cncc(F)c1 ZINC000090971245 933106670 /nfs/dbraw/zinc/10/66/70/933106670.db2.gz UZCVBSJCTNKTLV-KRWDZBQOSA-N 2 0 368.500 3.604 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C[NH3+])c2ccccc2)CCCC1)c1ccccc1 ZINC000430737564 933189707 /nfs/dbraw/zinc/18/97/07/933189707.db2.gz ISBQWTGWOLNUHN-NQIIRXRSSA-N 2 0 365.521 3.509 20 0 FHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000510554181 933220610 /nfs/dbraw/zinc/22/06/10/933220610.db2.gz XLEUQTKIPNUTQO-YYWHXJBOSA-N 2 0 357.542 3.509 20 0 FHADRP COc1cc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1OC(F)F ZINC000518447426 933256069 /nfs/dbraw/zinc/25/60/69/933256069.db2.gz XNUWULUVRIWHJJ-CYBMUJFWSA-N 2 0 374.497 3.775 20 0 FHADRP Cc1cccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccc(F)c2)c1 ZINC000510655515 933365746 /nfs/dbraw/zinc/36/57/46/933365746.db2.gz IULOEJUUSOQCRY-QHCPKHFHSA-N 2 0 369.528 3.841 20 0 FHADRP Cc1cccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccc(F)c2)c1 ZINC000510655514 933366021 /nfs/dbraw/zinc/36/60/21/933366021.db2.gz IULOEJUUSOQCRY-HSZRJFAPSA-N 2 0 369.528 3.841 20 0 FHADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(C)c1OCc1ccccn1 ZINC000430911706 933395462 /nfs/dbraw/zinc/39/54/62/933395462.db2.gz IKQGCQMZQDEXLV-UHFFFAOYSA-N 2 0 365.521 3.853 20 0 FHADRP C[C@@H](C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000430918464 933405165 /nfs/dbraw/zinc/40/51/65/933405165.db2.gz NAEOYLBCTLLWBU-FQEVSTJZSA-N 2 0 357.586 3.918 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510747791 933639111 /nfs/dbraw/zinc/63/91/11/933639111.db2.gz FRGKDZLHBNOEKX-CVDCTZTESA-N 2 0 369.528 3.839 20 0 FHADRP Cc1cccc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2cccc(F)c2)c1 ZINC000510756891 933647379 /nfs/dbraw/zinc/64/73/79/933647379.db2.gz XQXNHYSFQQBCEO-HSZRJFAPSA-N 2 0 369.528 3.839 20 0 FHADRP FC(F)(F)c1cccc(OCCCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431023084 933689866 /nfs/dbraw/zinc/68/98/66/933689866.db2.gz KQDLBVKSAAWIOZ-UHFFFAOYSA-N 2 0 356.432 3.940 20 0 FHADRP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431032412 933708781 /nfs/dbraw/zinc/70/87/81/933708781.db2.gz CKJJBGBDSOEIQM-YSQCGDRGSA-N 2 0 369.553 3.591 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)cc1 ZINC000510839813 933836974 /nfs/dbraw/zinc/83/69/74/933836974.db2.gz XXDJLNPECOUQTK-OALUTQOASA-N 2 0 359.558 3.911 20 0 FHADRP CC(C)COC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092223224 933980708 /nfs/dbraw/zinc/98/07/08/933980708.db2.gz UNBPZKNOPVVHJS-UHFFFAOYSA-N 2 0 373.585 3.854 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000092587413 934099380 /nfs/dbraw/zinc/09/93/80/934099380.db2.gz ZYSZEEFIGHWBOG-IYBDPMFKSA-N 2 0 365.587 3.762 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000247548705 934158335 /nfs/dbraw/zinc/15/83/35/934158335.db2.gz SAWLTONGZPUEAP-MKXGPGLRSA-N 2 0 357.542 3.590 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003250 934159588 /nfs/dbraw/zinc/15/95/88/934159588.db2.gz CDBPNZGRKYGHMB-WMQCIHAUSA-N 2 0 366.505 3.930 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000535811446 934402997 /nfs/dbraw/zinc/40/29/97/934402997.db2.gz JLOWJKQWTBPKSW-UHFFFAOYSA-N 2 0 362.468 3.907 20 0 FHADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000610814293 934493901 /nfs/dbraw/zinc/49/39/01/934493901.db2.gz FTAUHMZZNWBOBT-XJKSGUPXSA-N 2 0 372.294 3.674 20 0 FHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCCc3c(Cl)cccc3Cl)C2)CC1 ZINC000684613167 934548035 /nfs/dbraw/zinc/54/80/35/934548035.db2.gz CMORUPNGYYJQOE-OAHLLOKOSA-N 2 0 370.368 3.684 20 0 FHADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000657182847 934667672 /nfs/dbraw/zinc/66/76/72/934667672.db2.gz PNGKGGJKAHTAJF-INIZCTEOSA-N 2 0 352.482 3.655 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535898983 934732362 /nfs/dbraw/zinc/73/23/62/934732362.db2.gz QOSJAJFUQRKPKZ-JOCHJYFZSA-N 2 0 371.569 3.722 20 0 FHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000124519098 934831263 /nfs/dbraw/zinc/83/12/63/934831263.db2.gz KYBXFDNJOLVYLR-SFHVURJKSA-N 2 0 367.990 3.740 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892041627 934877906 /nfs/dbraw/zinc/87/79/06/934877906.db2.gz JCRBSYGGKIPAMG-CDXJDZJCSA-N 2 0 372.557 3.536 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236883158 934967975 /nfs/dbraw/zinc/96/79/75/934967975.db2.gz DGXLQOSRMJIUQS-DUXKGJEZSA-N 2 0 353.510 3.522 20 0 FHADRP c1cc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc(C[NH+]2CCCC2)c1 ZINC000657301033 935024089 /nfs/dbraw/zinc/02/40/89/935024089.db2.gz YORFCLYNJZYIJP-QHCPKHFHSA-N 2 0 366.505 3.740 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000472125101 935098748 /nfs/dbraw/zinc/09/87/48/935098748.db2.gz YYMXBTZVRRIPCA-INIZCTEOSA-N 2 0 361.530 3.670 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000657311648 935105177 /nfs/dbraw/zinc/10/51/77/935105177.db2.gz QINVETXOEATNII-CQSZACIVSA-N 2 0 354.336 3.754 20 0 FHADRP C[C@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)c2)CCO1 ZINC000438824964 945080574 /nfs/dbraw/zinc/08/05/74/945080574.db2.gz ACDIUJXCTIGTPI-GAJHUEQPSA-N 2 0 366.505 3.780 20 0 FHADRP C[C@@H](C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000472143203 935175277 /nfs/dbraw/zinc/17/52/77/935175277.db2.gz YMOPZHYMUAARED-WOJBJXKFSA-N 2 0 359.602 3.778 20 0 FHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000582100870 935275424 /nfs/dbraw/zinc/27/54/24/935275424.db2.gz HEATUJLCROSDQJ-UHFFFAOYSA-N 2 0 369.484 3.848 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc3ccncc3s2)cc1 ZINC000657351214 935318207 /nfs/dbraw/zinc/31/82/07/935318207.db2.gz MLDNPILUTYGIGC-UHFFFAOYSA-N 2 0 355.507 3.569 20 0 FHADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000684773066 935330882 /nfs/dbraw/zinc/33/08/82/935330882.db2.gz XNGKIZRHQVSZDK-KNQAVFIVSA-N 2 0 355.570 3.848 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CCn2ccnc2)c2ccc(F)cc2)CC1 ZINC000438835296 945094540 /nfs/dbraw/zinc/09/45/40/945094540.db2.gz WHZAXXPVBRFYTO-OAQYLSRUSA-N 2 0 358.505 3.865 20 0 FHADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158156648 935374259 /nfs/dbraw/zinc/37/42/59/935374259.db2.gz BTSMJKIPVVAHHF-INIZCTEOSA-N 2 0 366.937 3.554 20 0 FHADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000582264352 935460534 /nfs/dbraw/zinc/46/05/34/935460534.db2.gz HIRLNMRPPOQZQG-AWEZNQCLSA-N 2 0 367.415 3.892 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707969274 935538478 /nfs/dbraw/zinc/53/84/78/935538478.db2.gz ZPCCKGBCUNYKCP-HCXYKTFWSA-N 2 0 367.578 3.875 20 0 FHADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000657398912 935561473 /nfs/dbraw/zinc/56/14/73/935561473.db2.gz FMSZIQKFMDTZOM-FGZHOGPDSA-N 2 0 360.542 3.641 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3C[C@H]3c3ccccc3)cn2)CC1 ZINC000582367440 935573013 /nfs/dbraw/zinc/57/30/13/935573013.db2.gz MEBHQDZBJMQINB-NYVOZVTQSA-N 2 0 364.537 3.505 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000519106347 945113779 /nfs/dbraw/zinc/11/37/79/945113779.db2.gz ZTHCATQHAAUUIC-JOCHJYFZSA-N 2 0 371.569 3.586 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]Cc3cc(C(F)(F)F)nn3C)CC2)CC1 ZINC000657415442 935640706 /nfs/dbraw/zinc/64/07/06/935640706.db2.gz KAHYWUYAFYGVSU-UHFFFAOYSA-N 2 0 358.452 3.572 20 0 FHADRP CCOc1ccc(Cl)cc1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657419787 935654418 /nfs/dbraw/zinc/65/44/18/935654418.db2.gz XJVKDAROWRSDOY-UHFFFAOYSA-N 2 0 356.857 3.652 20 0 FHADRP CCCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657433247 935723146 /nfs/dbraw/zinc/72/31/46/935723146.db2.gz YSLFWZBNSNLDQO-CEMLEFRQSA-N 2 0 352.526 3.683 20 0 FHADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000582546258 935812405 /nfs/dbraw/zinc/81/24/05/935812405.db2.gz IOZSALXSDDCQFC-INIZCTEOSA-N 2 0 357.885 3.763 20 0 FHADRP COC(=O)c1ccc(F)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000511162361 935831586 /nfs/dbraw/zinc/83/15/86/935831586.db2.gz QGGMZTNGXDILNL-UHFFFAOYSA-N 2 0 362.489 3.700 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000582591764 935856020 /nfs/dbraw/zinc/85/60/20/935856020.db2.gz LBOJNTDDNVQFKZ-HUUCEWRRSA-N 2 0 371.447 3.744 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)C[C@H](C)O1 ZINC000684953752 935898705 /nfs/dbraw/zinc/89/87/05/935898705.db2.gz KHINIZBSFBAMLS-KGVIQGDOSA-N 2 0 365.521 3.858 20 0 FHADRP Cn1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c(-c2cc3ccccc3o2)n1 ZINC000657525952 935954090 /nfs/dbraw/zinc/95/40/90/935954090.db2.gz YUMCCTUOSPOOSD-QGZVFWFLSA-N 2 0 352.482 3.796 20 0 FHADRP Cc1ccc(OC(F)F)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535312 935971764 /nfs/dbraw/zinc/97/17/64/935971764.db2.gz JCQRABWNKPPIFB-UHFFFAOYSA-N 2 0 368.468 3.577 20 0 FHADRP C[C@@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000657535592 935975785 /nfs/dbraw/zinc/97/57/85/935975785.db2.gz PORUPDIYGCPGIV-INIZCTEOSA-N 2 0 350.934 3.924 20 0 FHADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000076159050 936023663 /nfs/dbraw/zinc/02/36/63/936023663.db2.gz UPQXXGSVBZYYQJ-UHFFFAOYSA-N 2 0 351.494 3.639 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000076158842 936023695 /nfs/dbraw/zinc/02/36/95/936023695.db2.gz LDPPCSCVEQYDNX-UHFFFAOYSA-N 2 0 353.510 3.885 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597312 936072689 /nfs/dbraw/zinc/07/26/89/936072689.db2.gz TVLZFYAWJHTYMQ-HNNXBMFYSA-N 2 0 370.440 3.623 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3Cl)cc2)C1 ZINC000657595314 936075120 /nfs/dbraw/zinc/07/51/20/936075120.db2.gz OOIAYAVUHXFLOT-KRWDZBQOSA-N 2 0 365.304 3.850 20 0 FHADRP FC(F)Oc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000657611720 936092999 /nfs/dbraw/zinc/09/29/99/936092999.db2.gz DTMXNVNRCWAEGC-UHFFFAOYSA-N 2 0 361.436 3.685 20 0 FHADRP COc1ccccc1/C=C/C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613295 936093289 /nfs/dbraw/zinc/09/32/89/936093289.db2.gz XJCIBGRMUOAFRF-GQCTYLIASA-N 2 0 351.494 3.605 20 0 FHADRP COc1ccc2oc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cc2c1 ZINC000657613858 936100274 /nfs/dbraw/zinc/10/02/74/936100274.db2.gz UNIRTLFUVAUJHL-UHFFFAOYSA-N 2 0 365.477 3.838 20 0 FHADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CC1(C)C ZINC000582799736 936139336 /nfs/dbraw/zinc/13/93/36/936139336.db2.gz YBQREPYKSPBGHZ-SESVDKBCSA-N 2 0 356.554 3.939 20 0 FHADRP CC(C)[C@H](C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000582837965 936202435 /nfs/dbraw/zinc/20/24/35/936202435.db2.gz LVLIZGANQATNJL-LPHOPBHVSA-N 2 0 371.491 3.671 20 0 FHADRP C[NH+](C)CCN(Cc1cccc(C[NH+]2CCCCC2)c1)Cc1ccccn1 ZINC000582854444 936217891 /nfs/dbraw/zinc/21/78/91/936217891.db2.gz ZCWHKEBFAMBYHT-UHFFFAOYSA-N 2 0 366.553 3.631 20 0 FHADRP COCC1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC[NH2+]CC1 ZINC000414961991 945159924 /nfs/dbraw/zinc/15/99/24/945159924.db2.gz VVCAZSBZCHBTBF-UHFFFAOYSA-N 2 0 364.436 3.547 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)C1 ZINC000650706258 938285491 /nfs/dbraw/zinc/28/54/91/938285491.db2.gz HFWVMPCEOOAJFP-SQWLQELKSA-N 2 0 363.552 3.590 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(OC(F)F)cc1C ZINC000650706584 938286573 /nfs/dbraw/zinc/28/65/73/938286573.db2.gz NZMMPOLIURFXOE-RYQLBKOJSA-N 2 0 368.468 3.623 20 0 FHADRP CO[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000657768194 938293970 /nfs/dbraw/zinc/29/39/70/938293970.db2.gz XFNPGXOPWLPUET-QFIPXVFZSA-N 2 0 359.558 3.512 20 0 FHADRP [NH3+]CC1(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000650713259 938298237 /nfs/dbraw/zinc/29/82/37/938298237.db2.gz MFJMACJOHWKGKJ-UHFFFAOYSA-N 2 0 366.328 3.791 20 0 FHADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650717957 938305022 /nfs/dbraw/zinc/30/50/22/938305022.db2.gz SAAGLXMUSCPGQP-HNNXBMFYSA-N 2 0 357.473 3.915 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000052441508 938307357 /nfs/dbraw/zinc/30/73/57/938307357.db2.gz NLVZBOWDFHLKGQ-SFHVURJKSA-N 2 0 358.448 3.793 20 0 FHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCS2 ZINC000427719707 938308791 /nfs/dbraw/zinc/30/87/91/938308791.db2.gz CRMCCWXGYGAFJB-FQEVSTJZSA-N 2 0 361.599 3.704 20 0 FHADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Br)c1 ZINC000650723106 938310160 /nfs/dbraw/zinc/31/01/60/938310160.db2.gz HPQKWUPCOUPIDO-CGTJXYLNSA-N 2 0 367.331 3.618 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Br ZINC000650723135 938310213 /nfs/dbraw/zinc/31/02/13/938310213.db2.gz HVSVSHARNSLRLK-JQHSSLGASA-N 2 0 367.331 3.618 20 0 FHADRP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)co2)cc1 ZINC000650723454 938310646 /nfs/dbraw/zinc/31/06/46/938310646.db2.gz OFINAVSCQYBWNE-SXLOBPIMSA-N 2 0 355.482 3.511 20 0 FHADRP C[NH+](C)Cc1cc(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000583626149 938327254 /nfs/dbraw/zinc/32/72/54/938327254.db2.gz HDSPERZCLILHFH-UHFFFAOYSA-N 2 0 363.864 3.659 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583660558 938344930 /nfs/dbraw/zinc/34/49/30/938344930.db2.gz CEIZVNBUFGYQQN-RXVVDRJESA-N 3 0 369.528 3.888 20 0 FHADRP CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]([NH3+])c1ccccc1 ZINC000583690177 938359245 /nfs/dbraw/zinc/35/92/45/938359245.db2.gz HNUJANCZIHRYBA-LEWJYISDSA-N 2 0 365.521 3.666 20 0 FHADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754472 938408161 /nfs/dbraw/zinc/40/81/61/938408161.db2.gz JVJLMJUFZQIECW-QNWVGRARSA-N 2 0 367.512 3.675 20 0 FHADRP [NH3+]Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000650755084 938413044 /nfs/dbraw/zinc/41/30/44/938413044.db2.gz YHFDCEDXQVJDFL-WKCHPHFGSA-N 2 0 353.485 3.570 20 0 FHADRP COc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2F)c(Br)c1 ZINC000650755062 938413164 /nfs/dbraw/zinc/41/31/64/938413164.db2.gz XQZUBXLFPVQHJY-NSHDSACASA-N 2 0 367.262 3.906 20 0 FHADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583865957 938459061 /nfs/dbraw/zinc/45/90/61/938459061.db2.gz YYSISCBMQXYMTE-LYLBAIIYSA-N 2 0 368.525 3.853 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000583912305 938480324 /nfs/dbraw/zinc/48/03/24/938480324.db2.gz YGVOWOUTBZOSSA-KXTWHKPSSA-N 2 0 360.542 3.603 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cc1OC ZINC000583995064 938525956 /nfs/dbraw/zinc/52/59/56/938525956.db2.gz ZXRJQDDNFKOVFW-QHCPKHFHSA-N 2 0 366.505 3.946 20 0 FHADRP c1ccc(CN2CC[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)CC23CC3)cc1 ZINC000657816712 938532184 /nfs/dbraw/zinc/53/21/84/938532184.db2.gz ZHUKHTWULHQNIC-QHCPKHFHSA-N 2 0 367.581 3.895 20 0 FHADRP Clc1ccc([C@H]2CCC[C@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000584047864 938568155 /nfs/dbraw/zinc/56/81/55/938568155.db2.gz JVIBCRFSMPPUBX-WMZOPIPTSA-N 2 0 373.932 3.741 20 0 FHADRP Clc1ccc([C@H]2CCC[C@@H]([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000584047862 938568204 /nfs/dbraw/zinc/56/82/04/938568204.db2.gz JVIBCRFSMPPUBX-FUHWJXTLSA-N 2 0 373.932 3.741 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCSCC3)CC2)c1 ZINC000657829600 938606374 /nfs/dbraw/zinc/60/63/74/938606374.db2.gz WWCAPMDLPDIBHB-FQEVSTJZSA-N 2 0 361.599 3.773 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000584255603 938661731 /nfs/dbraw/zinc/66/17/31/938661731.db2.gz PDFMHYXNKSSRNP-FQEVSTJZSA-N 2 0 353.510 3.924 20 0 FHADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000584307410 938679551 /nfs/dbraw/zinc/67/95/51/938679551.db2.gz JDZQKAVYDQZXSS-YJBOKZPZSA-N 2 0 373.463 3.652 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657839972 938702978 /nfs/dbraw/zinc/70/29/78/938702978.db2.gz JSKRGWNNDHOXRH-OPYAIIAOSA-N 2 0 352.526 3.986 20 0 FHADRP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151851613 938720484 /nfs/dbraw/zinc/72/04/84/938720484.db2.gz BKWSKCDZZDTBIR-FQEVSTJZSA-N 2 0 358.551 3.634 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000151866092 938798142 /nfs/dbraw/zinc/79/81/42/938798142.db2.gz RYVGSMATQOAXSZ-INIZCTEOSA-N 2 0 373.324 3.501 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000708539722 938814989 /nfs/dbraw/zinc/81/49/89/938814989.db2.gz DXUNRKPWMBQXSR-UZLBHIALSA-N 2 0 364.493 3.836 20 0 FHADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OCc1cccs1 ZINC000414966033 945207153 /nfs/dbraw/zinc/20/71/53/945207153.db2.gz FWXOPWBDNBVSCX-QGZVFWFLSA-N 2 0 360.523 3.958 20 0 FHADRP CCc1noc(-c2ccc(CC[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2)n1 ZINC000089551315 938865854 /nfs/dbraw/zinc/86/58/54/938865854.db2.gz TYDBDVXXFYWKEB-UHFFFAOYSA-N 2 0 368.525 3.838 20 0 FHADRP C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000507404858 945211151 /nfs/dbraw/zinc/21/11/51/945211151.db2.gz PNWMFKXYGMKPDN-AWEZNQCLSA-N 2 0 366.427 3.938 20 0 FHADRP FC(F)Oc1c(Br)cccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414966526 945211991 /nfs/dbraw/zinc/21/19/91/945211991.db2.gz GNEACFTTZWFSSZ-LBPRGKRZSA-N 2 0 363.246 3.672 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844183 938883301 /nfs/dbraw/zinc/88/33/01/938883301.db2.gz BTYAYRZYQMZZQK-JTSKRJEESA-N 2 0 356.510 3.574 20 0 FHADRP CCc1ccc([C@H](CO)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844221 938883316 /nfs/dbraw/zinc/88/33/16/938883316.db2.gz PBSYWDRGKHNLES-VGSWGCGISA-N 2 0 356.510 3.574 20 0 FHADRP CC(C)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091334822 938900319 /nfs/dbraw/zinc/90/03/19/938900319.db2.gz PPGYICMSDIBILR-QAPCUYQASA-N 2 0 357.464 3.628 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000708545987 938913548 /nfs/dbraw/zinc/91/35/48/938913548.db2.gz WFVKGCKFHPQVAU-FXAWDEMLSA-N 2 0 354.494 3.562 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(F)cn1 ZINC000092737876 938919095 /nfs/dbraw/zinc/91/90/95/938919095.db2.gz XUTRDEUGNFIUNK-ZACQAIPSSA-N 2 0 357.473 3.681 20 0 FHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc2c(c1)OCCO2 ZINC000092821722 938921958 /nfs/dbraw/zinc/92/19/58/938921958.db2.gz KZLMDEPSTMAIJP-UHFFFAOYSA-N 2 0 367.493 3.591 20 0 FHADRP CN(C)c1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000093006815 938924908 /nfs/dbraw/zinc/92/49/08/938924908.db2.gz HBZUFLXXOYURPG-UHFFFAOYSA-N 2 0 358.555 3.553 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CCCSCC2)CC1 ZINC000657869953 938944012 /nfs/dbraw/zinc/94/40/12/938944012.db2.gz AXAFUTGYQNALMZ-AEFFLSMTSA-N 2 0 365.562 3.904 20 0 FHADRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000148577174 938959873 /nfs/dbraw/zinc/95/98/73/938959873.db2.gz QAUARKMPAYDHOK-OALUTQOASA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2cnccc2o1 ZINC000657873698 938960132 /nfs/dbraw/zinc/96/01/32/938960132.db2.gz NIMGVNWCTYJZDH-INIZCTEOSA-N 2 0 365.477 3.635 20 0 FHADRP O=C(CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1 ZINC000548832149 938969101 /nfs/dbraw/zinc/96/91/01/938969101.db2.gz LCGRKEQLUKZOSB-UHFFFAOYSA-N 2 0 351.494 3.791 20 0 FHADRP O[C@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CCN(Cc2ccccc2)C1 ZINC000511271677 938978008 /nfs/dbraw/zinc/97/80/08/938978008.db2.gz MHRARGPKHAVNHT-AJTFCVKESA-N 2 0 370.924 3.813 20 0 FHADRP CCOC1CC2(C1)CC[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000685444898 938987022 /nfs/dbraw/zinc/98/70/22/938987022.db2.gz RSOXFXVCZMGCRE-UHFFFAOYSA-N 2 0 358.526 3.552 20 0 FHADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431611919 939000587 /nfs/dbraw/zinc/00/05/87/939000587.db2.gz XPMFAYDGFRNOHN-JOCHJYFZSA-N 2 0 369.553 3.696 20 0 FHADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611977038 939009474 /nfs/dbraw/zinc/00/94/74/939009474.db2.gz AQJQBAUTSXBQAA-OAQYLSRUSA-N 2 0 365.521 3.875 20 0 FHADRP C[C@@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)C1CC[NH+](C)CC1 ZINC000685658561 939009619 /nfs/dbraw/zinc/00/96/19/939009619.db2.gz SLSGBLKPJQMXBR-CYBMUJFWSA-N 2 0 364.331 3.793 20 0 FHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCCO2 ZINC000658067938 939021598 /nfs/dbraw/zinc/02/15/98/939021598.db2.gz SJZNNKXEVLXTOW-FQEVSTJZSA-N 2 0 362.489 3.520 20 0 FHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(C)ccc1OC ZINC000658068091 939021610 /nfs/dbraw/zinc/02/16/10/939021610.db2.gz UDXNPIZWXFEGCH-OAQYLSRUSA-N 2 0 360.542 3.935 20 0 FHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068714 939021765 /nfs/dbraw/zinc/02/17/65/939021765.db2.gz YNRKUGODOFUFNX-ZHRRBRCNSA-N 2 0 360.517 3.930 20 0 FHADRP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000658114108 939024438 /nfs/dbraw/zinc/02/44/38/939024438.db2.gz MHWSRAITXGZAAI-PSRMXOHFSA-N 2 0 374.569 3.585 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C2CC2)c1 ZINC000658136419 939029959 /nfs/dbraw/zinc/02/99/59/939029959.db2.gz IIIIOQKLBXFGOG-HXOBKFHXSA-N 2 0 350.506 3.981 20 0 FHADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[C@H]1c1ccccc1 ZINC000658138059 939040376 /nfs/dbraw/zinc/04/03/76/939040376.db2.gz MKLJYORGODUKBW-XCYUPCBOSA-N 2 0 350.506 3.535 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139552 939042856 /nfs/dbraw/zinc/04/28/56/939042856.db2.gz MZGHPBGPDPLBCK-KXBFYZLASA-N 2 0 367.518 3.714 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140795 939043344 /nfs/dbraw/zinc/04/33/44/939043344.db2.gz RCDAQSVDZNVAGB-SUMWQHHRSA-N 2 0 364.411 3.521 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC(c4ccc(Cl)cc4)C3)cc2)C1 ZINC000658140706 939043354 /nfs/dbraw/zinc/04/33/54/939043354.db2.gz UVLZSTNUHAFOBD-KITAHSCOSA-N 2 0 370.924 3.942 20 0 FHADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140832 939043441 /nfs/dbraw/zinc/04/34/41/939043441.db2.gz RDWXIKJZZDGBPP-JBYIUTFZSA-N 2 0 368.521 3.544 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc2cnccc2o1 ZINC000658164204 939052728 /nfs/dbraw/zinc/05/27/28/939052728.db2.gz MVBNZAGWKQMXPS-INIZCTEOSA-N 2 0 350.466 3.786 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cnn1C(C)C ZINC000658164819 939052845 /nfs/dbraw/zinc/05/28/45/939052845.db2.gz FQSFQIGZRONLMQ-QGZVFWFLSA-N 2 0 355.530 3.730 20 0 FHADRP c1cc(C[NH+]2CCC(C[NH2+]C3CCC4(CCOCC4)CC3)CC2)ccn1 ZINC000658164495 939052857 /nfs/dbraw/zinc/05/28/57/939052857.db2.gz DWKMLHRIKIVDAT-UHFFFAOYSA-N 2 0 357.542 3.623 20 0 FHADRP COc1ccc(OC)c([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000658164354 939053129 /nfs/dbraw/zinc/05/31/29/939053129.db2.gz CRVDATYGWBMDME-KRWDZBQOSA-N 2 0 369.509 3.662 20 0 FHADRP Fc1cccc(C2CC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC000658166694 939053675 /nfs/dbraw/zinc/05/36/75/939053675.db2.gz OBNFMLRGFNOALW-UHFFFAOYSA-N 2 0 353.485 3.969 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000658167274 939055024 /nfs/dbraw/zinc/05/50/24/939055024.db2.gz RJSHLEDREDEVFR-KRWDZBQOSA-N 2 0 369.509 3.662 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(OC)c1 ZINC000658168113 939055519 /nfs/dbraw/zinc/05/55/19/939055519.db2.gz RZMLDVFCKLNIJZ-QGZVFWFLSA-N 2 0 369.509 3.662 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000658168442 939055561 /nfs/dbraw/zinc/05/55/61/939055561.db2.gz TUIRARDVSRENBC-MRXNPFEDSA-N 2 0 357.473 3.792 20 0 FHADRP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414968002 945223704 /nfs/dbraw/zinc/22/37/04/945223704.db2.gz QXCZXUYWORDBQC-MRXNPFEDSA-N 2 0 352.404 3.717 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658293465 939100534 /nfs/dbraw/zinc/10/05/34/939100534.db2.gz AOBYIOHEDANHIE-KRWDZBQOSA-N 2 0 365.606 3.902 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658295161 939101363 /nfs/dbraw/zinc/10/13/63/939101363.db2.gz AIIPVULPCFVNGZ-QNGMFEMESA-N 2 0 371.569 3.666 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000658313711 939108372 /nfs/dbraw/zinc/10/83/72/939108372.db2.gz MOCJOKINQBBUAX-QFIPXVFZSA-N 2 0 368.606 3.823 20 0 FHADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316308 939109259 /nfs/dbraw/zinc/10/92/59/939109259.db2.gz DSCFYUADYBXNKG-PZJWPPBQSA-N 2 0 364.537 3.689 20 0 FHADRP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658318658 939110287 /nfs/dbraw/zinc/11/02/87/939110287.db2.gz RLZYJGXXFRZCPN-WOJBJXKFSA-N 2 0 350.510 3.610 20 0 FHADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320127 939110431 /nfs/dbraw/zinc/11/04/31/939110431.db2.gz NAPAWWYTTMROSU-YLJYHZDGSA-N 2 0 352.526 3.681 20 0 FHADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319786 939111177 /nfs/dbraw/zinc/11/11/77/939111177.db2.gz IVRRUHQRQAIIGS-FPOVZHCZSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000658337911 939116027 /nfs/dbraw/zinc/11/60/27/939116027.db2.gz AUKQLFZDPNVWHZ-REHUZNOOSA-N 2 0 366.549 3.836 20 0 FHADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658338594 939116940 /nfs/dbraw/zinc/11/69/40/939116940.db2.gz FQIWGUBGVYPRPK-MWFZDGHISA-N 2 0 364.533 3.936 20 0 FHADRP NC(=O)CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000658341828 939118512 /nfs/dbraw/zinc/11/85/12/939118512.db2.gz AREGLISCNHSTRH-WKCHPHFGSA-N 2 0 369.553 3.598 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)CC3 ZINC000658357096 939125427 /nfs/dbraw/zinc/12/54/27/939125427.db2.gz QUITUPGRHVYFIC-GOSISDBHSA-N 2 0 367.537 3.745 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1Cl ZINC000507444420 945238888 /nfs/dbraw/zinc/23/88/88/945238888.db2.gz PBMFBVGXQIVIET-HNNXBMFYSA-N 2 0 351.922 3.687 20 0 FHADRP c1cnn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000507499286 945269520 /nfs/dbraw/zinc/26/95/20/945269520.db2.gz YIQPLLOXPVGEHP-IACLWVNRSA-N 2 0 364.537 3.867 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427319851 945281612 /nfs/dbraw/zinc/28/16/12/945281612.db2.gz JUMDECQGQOJNCL-HSALFYBXSA-N 2 0 371.569 3.561 20 0 FHADRP O=C(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000584464609 939942999 /nfs/dbraw/zinc/94/29/99/939942999.db2.gz BFBRVCZPEZFOKB-UHFFFAOYSA-N 2 0 365.468 3.680 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000584472850 939997910 /nfs/dbraw/zinc/99/79/10/939997910.db2.gz HZSGCJRZLNFLPR-IFMALSPDSA-N 2 0 367.493 3.592 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000507515161 945291989 /nfs/dbraw/zinc/29/19/89/945291989.db2.gz UWRJLROIHQPHCJ-LJQANCHMSA-N 2 0 366.553 3.632 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000507515190 945292169 /nfs/dbraw/zinc/29/21/69/945292169.db2.gz VDYKURFEFLAFJN-FQEVSTJZSA-N 2 0 366.553 3.503 20 0 FHADRP Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(-c2cc3ccccc3o2)n1 ZINC000647483218 940112770 /nfs/dbraw/zinc/11/27/70/940112770.db2.gz DWOYCJQNUBSBCA-LJQANCHMSA-N 2 0 364.493 3.797 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C5CCC5)CC4)[C@H]3C2)cc1 ZINC000507525202 945302290 /nfs/dbraw/zinc/30/22/90/945302290.db2.gz KAHWDBQJICOJPG-VJBMBRPKSA-N 2 0 353.554 3.504 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497800 940377277 /nfs/dbraw/zinc/37/72/77/940377277.db2.gz WAMATCABUQOASD-UTKZUKDTSA-N 2 0 367.493 3.507 20 0 FHADRP C[NH+]1CCC(C[NH2+]CCc2ccc(F)cc2Cl)(N2CCCCC2)CC1 ZINC000685843285 940442918 /nfs/dbraw/zinc/44/29/18/940442918.db2.gz SOFNMBUGALXEQF-UHFFFAOYSA-N 2 0 367.940 3.562 20 0 FHADRP C[N@H+](CCc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685847990 940456120 /nfs/dbraw/zinc/45/61/20/940456120.db2.gz ICDGTVQDBUQAGM-JOCHJYFZSA-N 2 0 357.586 3.627 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414053376 940457713 /nfs/dbraw/zinc/45/77/13/940457713.db2.gz ATOSSDMLNMURMR-JBACZVJFSA-N 2 0 363.977 3.838 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749835 940467298 /nfs/dbraw/zinc/46/72/98/940467298.db2.gz FAJKPYGWXNBFJK-SVFBPWRDSA-N 2 0 363.590 3.658 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1csc(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000414059422 940468323 /nfs/dbraw/zinc/46/83/23/940468323.db2.gz IOEQCIBKADBRFM-YLJYHZDGSA-N 2 0 372.582 3.733 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414077422 940483077 /nfs/dbraw/zinc/48/30/77/940483077.db2.gz YYQYOCNMWVURAJ-SFHVURJKSA-N 2 0 372.582 3.878 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(C)c1 ZINC000414083083 940486849 /nfs/dbraw/zinc/48/68/49/940486849.db2.gz GBGNPPDVJAZVHP-SFHVURJKSA-N 2 0 368.521 3.811 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000431769396 940487315 /nfs/dbraw/zinc/48/73/15/940487315.db2.gz HRPANDILRHGOIB-RBBKRZOGSA-N 2 0 371.569 3.650 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000431777752 940494462 /nfs/dbraw/zinc/49/44/62/940494462.db2.gz CBNKSVMGNKCUBR-WOJBJXKFSA-N 2 0 369.509 3.534 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000511473229 940505200 /nfs/dbraw/zinc/50/52/00/940505200.db2.gz ICCRALQYJQUDOT-JOCHJYFZSA-N 2 0 365.521 3.533 20 0 FHADRP COC(=O)c1cnc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000414107974 940589587 /nfs/dbraw/zinc/58/95/87/940589587.db2.gz SZGNDRNSXRBFDM-QQFBHYJXSA-N 2 0 365.543 3.623 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000414168355 940703951 /nfs/dbraw/zinc/70/39/51/940703951.db2.gz ACDZFIAOHMXSNY-GDBMZVCRSA-N 2 0 361.921 3.612 20 0 FHADRP O=C(C[N@H+](C1CC1)C1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613432539 940704950 /nfs/dbraw/zinc/70/49/50/940704950.db2.gz JKFLKCIMQMKLAQ-UHFFFAOYSA-N 2 0 369.553 3.696 20 0 FHADRP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000894848770 945348969 /nfs/dbraw/zinc/34/89/69/945348969.db2.gz ROOPZTMJWXPRLC-UHFFFAOYSA-N 2 0 366.465 3.649 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccnc(Cl)c1 ZINC000161198480 940907332 /nfs/dbraw/zinc/90/73/32/940907332.db2.gz BOEQMLHNQZRUMP-OAHLLOKOSA-N 2 0 359.901 3.543 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000519367063 945361164 /nfs/dbraw/zinc/36/11/64/945361164.db2.gz MVVYITYMCXUKHT-RTBURBONSA-N 2 0 374.573 3.591 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029870 940949765 /nfs/dbraw/zinc/94/97/65/940949765.db2.gz IWKAOOVWHUWCJQ-BLLLJJGKSA-N 2 0 350.304 3.580 20 0 FHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000892616060 940975563 /nfs/dbraw/zinc/97/55/63/940975563.db2.gz JGXHQOJBAHKFEK-KRWDZBQOSA-N 2 0 369.509 3.662 20 0 FHADRP CCC1(C)CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414328083 940978209 /nfs/dbraw/zinc/97/82/09/940978209.db2.gz PQTJWPRNADWMAV-UHFFFAOYSA-N 2 0 371.569 3.832 20 0 FHADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414328769 940980054 /nfs/dbraw/zinc/98/00/54/940980054.db2.gz QBPOAXGYHZEJRV-VXKWHMMOSA-N 2 0 371.569 3.688 20 0 FHADRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414338363 941003740 /nfs/dbraw/zinc/00/37/40/941003740.db2.gz KITJMHMNRLLWEP-JOCHJYFZSA-N 2 0 371.569 3.832 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134316064 941012221 /nfs/dbraw/zinc/01/22/21/941012221.db2.gz OELHQJAXCIPWPH-KRWDZBQOSA-N 2 0 356.341 3.598 20 0 FHADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414349810 941025973 /nfs/dbraw/zinc/02/59/73/941025973.db2.gz ZKUGMIWGBKGGCM-NQSCKRDGSA-N 2 0 371.569 3.688 20 0 FHADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414349812 941026271 /nfs/dbraw/zinc/02/62/71/941026271.db2.gz ZKUGMIWGBKGGCM-UCNVEGJOSA-N 2 0 371.569 3.688 20 0 FHADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000660664751 945368909 /nfs/dbraw/zinc/36/89/09/945368909.db2.gz SJMLJFVZJDIXNU-QFIPXVFZSA-N 2 0 372.553 3.800 20 0 FHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(OCc2ccccn2)c1 ZINC000892632114 941043129 /nfs/dbraw/zinc/04/31/29/941043129.db2.gz RRIWHGDVZNGCOQ-ZNDGOPKYSA-N 2 0 351.494 3.936 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543061 941065075 /nfs/dbraw/zinc/06/50/75/941065075.db2.gz HAKMFNDTIDVTOE-FCHUYYIVSA-N 2 0 366.553 3.760 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)ccn1 ZINC000647543059 941065079 /nfs/dbraw/zinc/06/50/79/941065079.db2.gz HAHDWKTYUAMTOL-VXKWHMMOSA-N 2 0 365.521 3.872 20 0 FHADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889374 941067807 /nfs/dbraw/zinc/06/78/07/941067807.db2.gz PNQZZADJXJTPEG-HSALFYBXSA-N 2 0 363.590 3.752 20 0 FHADRP Brc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCC2)cc1 ZINC000647549114 941070808 /nfs/dbraw/zinc/07/08/08/941070808.db2.gz IUVXWUKTPGPNSF-RLFYNMQTSA-N 2 0 363.343 3.849 20 0 FHADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000163973456 941104876 /nfs/dbraw/zinc/10/48/76/941104876.db2.gz WKEYHHYTSVAJAG-GOSISDBHSA-N 2 0 372.509 3.928 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CCOC)CCC2)CC1 ZINC000151956762 941145468 /nfs/dbraw/zinc/14/54/68/941145468.db2.gz CDFMBSMRUCGJOJ-UHFFFAOYSA-N 2 0 359.558 3.515 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659285227 941148452 /nfs/dbraw/zinc/14/84/52/941148452.db2.gz QPCQQTJPRYJCAL-HXUWFJFHSA-N 2 0 371.550 3.653 20 0 FHADRP c1nn(C2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)c2c1C[NH2+]C2 ZINC000424386006 941156122 /nfs/dbraw/zinc/15/61/22/941156122.db2.gz WRDIJHOETUVYJF-UHFFFAOYSA-N 2 0 358.489 3.990 20 0 FHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000376901027 941459290 /nfs/dbraw/zinc/45/92/90/941459290.db2.gz CCYAVDFNQFGKOU-MOPGFXCFSA-N 2 0 370.459 3.907 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)CCCC[NH3+])c2)cc1 ZINC000415016367 941542862 /nfs/dbraw/zinc/54/28/62/941542862.db2.gz PGBCFZPDDHBERC-INIZCTEOSA-N 2 0 355.482 3.555 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000415025524 941549558 /nfs/dbraw/zinc/54/95/58/941549558.db2.gz QKMFBZHVSDJYGZ-JYJNAYRXSA-N 2 0 351.922 3.720 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415028951 941550937 /nfs/dbraw/zinc/55/09/37/941550937.db2.gz ZLKBVBNIHVUJBE-VIFPVBQESA-N 2 0 355.198 3.565 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000415031994 941555425 /nfs/dbraw/zinc/55/54/25/941555425.db2.gz HQBBQIASHCRXLQ-JOYOIKCWSA-N 2 0 351.210 3.685 20 0 FHADRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1OC(F)F ZINC000415047655 941564823 /nfs/dbraw/zinc/56/48/23/941564823.db2.gz FIIVPZZOZIBSNR-MRXNPFEDSA-N 2 0 350.409 3.866 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000415044681 941568577 /nfs/dbraw/zinc/56/85/77/941568577.db2.gz AXNRVOCMRXZBMH-HSZRJFAPSA-N 2 0 351.538 3.763 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000415044682 941568648 /nfs/dbraw/zinc/56/86/48/941568648.db2.gz AXNRVOCMRXZBMH-QHCPKHFHSA-N 2 0 351.538 3.763 20 0 FHADRP c1sc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1-c1ccccc1 ZINC000415058507 941570697 /nfs/dbraw/zinc/57/06/97/941570697.db2.gz TUZUNDWZRCMSHH-UHFFFAOYSA-N 2 0 355.551 3.721 20 0 FHADRP Cc1nc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000415058762 941570930 /nfs/dbraw/zinc/57/09/30/941570930.db2.gz WETWCIHSZSRMTK-NQIIRXRSSA-N 2 0 371.550 3.995 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056581 941576342 /nfs/dbraw/zinc/57/63/42/941576342.db2.gz SLRZDLGYGXMIDI-SIKLNZKXSA-N 2 0 351.494 3.625 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689946 941577214 /nfs/dbraw/zinc/57/72/14/941577214.db2.gz UMOFWLAYXZEVLI-MJGOQNOKSA-N 2 0 372.488 3.930 20 0 FHADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415060660 941579261 /nfs/dbraw/zinc/57/92/61/941579261.db2.gz XFURQYLSZCJTLE-TZWRJOPASA-N 2 0 361.961 3.782 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000472691842 941584253 /nfs/dbraw/zinc/58/42/53/941584253.db2.gz QKFUNGKXRAAFRD-IBGZPJMESA-N 2 0 353.514 3.526 20 0 FHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000415074259 941589516 /nfs/dbraw/zinc/58/95/16/941589516.db2.gz CDMDJNRGGSWQAH-XLIONFOSSA-N 2 0 361.493 3.555 20 0 FHADRP O=C1[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078815 941591159 /nfs/dbraw/zinc/59/11/59/941591159.db2.gz HBJROFOLQQNBCU-QRQLOZEOSA-N 2 0 369.896 3.528 20 0 FHADRP COc1cccc([C@@H]([NH2+]C2CCC([NH3+])CC2)c2cc(F)ccc2OC)c1 ZINC000415085793 941596435 /nfs/dbraw/zinc/59/64/35/941596435.db2.gz QXHWUCBBKZWWCU-MYKUNDNFSA-N 2 0 358.457 3.792 20 0 FHADRP CCCOc1ccccc1Oc1ncccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415091811 941602195 /nfs/dbraw/zinc/60/21/95/941602195.db2.gz RALWWRHLJOGASI-UHFFFAOYSA-N 2 0 355.482 3.752 20 0 FHADRP CC(C)(C)[NH2+]CCNC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415122154 941618260 /nfs/dbraw/zinc/61/82/60/941618260.db2.gz ZYOCCXILCXOQNT-UHFFFAOYSA-N 2 0 357.464 3.648 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124644 941620630 /nfs/dbraw/zinc/62/06/30/941620630.db2.gz MVQWNPUGAPKENF-UGKGYDQZSA-N 2 0 358.526 3.726 20 0 FHADRP CCSc1cccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415128040 941622288 /nfs/dbraw/zinc/62/22/88/941622288.db2.gz JKGYZLXRVRNIEE-UHFFFAOYSA-N 2 0 369.578 3.882 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc(C)c1OC(F)F ZINC000415135976 941625779 /nfs/dbraw/zinc/62/57/79/941625779.db2.gz WWUPDWMXSXPKBL-MJGOQNOKSA-N 2 0 368.468 3.623 20 0 FHADRP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231110 941788332 /nfs/dbraw/zinc/78/83/32/941788332.db2.gz BTSXYFXVKUEYKU-TZIWHRDSSA-N 2 0 373.585 3.519 20 0 FHADRP Cc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnc([C@H](C)O)s3)CC2)cc1 ZINC000377543962 941795360 /nfs/dbraw/zinc/79/53/60/941795360.db2.gz SSJUKSVXZHYEAO-INIZCTEOSA-N 2 0 359.539 3.507 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000430009511 941806071 /nfs/dbraw/zinc/80/60/71/941806071.db2.gz YYTCCFQMDKCLQN-MRXNPFEDSA-N 2 0 351.485 3.742 20 0 FHADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc[nH+]c2ccccc21 ZINC000431846719 941852529 /nfs/dbraw/zinc/85/25/29/941852529.db2.gz TYXIPMLARAHQEP-UHFFFAOYSA-N 2 0 366.553 3.867 20 0 FHADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)CC1 ZINC000093133180 941942212 /nfs/dbraw/zinc/94/22/12/941942212.db2.gz JEUICAVAFFZZBV-QGZVFWFLSA-N 2 0 373.928 3.812 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)o1 ZINC000377761122 941967088 /nfs/dbraw/zinc/96/70/88/941967088.db2.gz LGWNIPJPNHSPIW-LAUBAEHRSA-N 2 0 350.466 3.761 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513545353 942005128 /nfs/dbraw/zinc/00/51/28/942005128.db2.gz PVBQHVWRMGQNQD-RXVVDRJESA-N 2 0 366.505 3.848 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000433955510 942016130 /nfs/dbraw/zinc/01/61/30/942016130.db2.gz OIKIRTLSTYMHGK-GUGJDKNPSA-N 2 0 374.573 3.756 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000433956981 942016618 /nfs/dbraw/zinc/01/66/18/942016618.db2.gz GKIAVDAQTBXVMY-AGOPTVSRSA-N 2 0 374.573 3.756 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)ccc21 ZINC000415790946 942050119 /nfs/dbraw/zinc/05/01/19/942050119.db2.gz QAYHHODVIUZGNO-IOMROCGXSA-N 2 0 370.541 3.622 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000280083912 942099527 /nfs/dbraw/zinc/09/95/27/942099527.db2.gz QKGAPNFFDIBLHW-QGZVFWFLSA-N 2 0 374.573 3.570 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 ZINC000415905358 942132285 /nfs/dbraw/zinc/13/22/85/942132285.db2.gz IDPVVGWUZBXXRG-UHFFFAOYSA-N 2 0 372.488 3.531 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000415905904 942133983 /nfs/dbraw/zinc/13/39/83/942133983.db2.gz JDBYDUSHAWTVHZ-UTKZUKDTSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000415908228 942135972 /nfs/dbraw/zinc/13/59/72/942135972.db2.gz PFPOSFCLEYORNQ-GOSISDBHSA-N 2 0 368.525 3.828 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000415912063 942145536 /nfs/dbraw/zinc/14/55/36/942145536.db2.gz ZPQQTQKZTXZCPV-UHFFFAOYSA-N 2 0 358.530 3.715 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415924340 942151255 /nfs/dbraw/zinc/15/12/55/942151255.db2.gz WHYJCNPJWDTKOE-AEFFLSMTSA-N 2 0 358.530 3.571 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000415923494 942153353 /nfs/dbraw/zinc/15/33/53/942153353.db2.gz VGTULYMVULCRFE-JXFKEZNVSA-N 2 0 354.498 3.609 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000415918821 942156433 /nfs/dbraw/zinc/15/64/33/942156433.db2.gz LVGAZDDXAIRGGS-MRXNPFEDSA-N 2 0 354.498 3.657 20 0 FHADRP C[C@@H]1C[C@@H](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994301 942159378 /nfs/dbraw/zinc/15/93/78/942159378.db2.gz MPVXPSSHTRENKV-CEMLEFRQSA-N 2 0 371.569 3.668 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000415935317 942160884 /nfs/dbraw/zinc/16/08/84/942160884.db2.gz UFYSNLVRARJRTJ-UHFFFAOYSA-N 2 0 358.530 3.572 20 0 FHADRP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000502002657 942163796 /nfs/dbraw/zinc/16/37/96/942163796.db2.gz BALYZYOWDMDIPN-GMAHTHKFSA-N 2 0 373.585 3.691 20 0 FHADRP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000502002656 942163921 /nfs/dbraw/zinc/16/39/21/942163921.db2.gz BALYZYOWDMDIPN-GGAORHGYSA-N 2 0 373.585 3.691 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931339 942166490 /nfs/dbraw/zinc/16/64/90/942166490.db2.gz KTGYNOMTTQRZQE-UTKZUKDTSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415944056 942175512 /nfs/dbraw/zinc/17/55/12/942175512.db2.gz NRFHKETXEQNQAD-CALCHBBNSA-N 2 0 360.546 3.674 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000415943760 942176123 /nfs/dbraw/zinc/17/61/23/942176123.db2.gz MXOADVUOJKHLST-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000415945900 942179623 /nfs/dbraw/zinc/17/96/23/942179623.db2.gz RYVXPDVSPIAHNP-UHFFFAOYSA-N 2 0 368.525 3.960 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000415947638 942181678 /nfs/dbraw/zinc/18/16/78/942181678.db2.gz WXLVZZFBOBNQKC-UHFFFAOYSA-N 2 0 366.509 3.536 20 0 FHADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415957408 942187855 /nfs/dbraw/zinc/18/78/55/942187855.db2.gz UNKBJCWXTSABRN-CYBMUJFWSA-N 2 0 372.435 3.550 20 0 FHADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415957409 942188025 /nfs/dbraw/zinc/18/80/25/942188025.db2.gz UNKBJCWXTSABRN-ZDUSSCGKSA-N 2 0 372.435 3.550 20 0 FHADRP C[C@@H](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000415952299 942191634 /nfs/dbraw/zinc/19/16/34/942191634.db2.gz KMPLOOUABKPCFI-ZDUSSCGKSA-N 2 0 372.435 3.550 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000415953324 942193549 /nfs/dbraw/zinc/19/35/49/942193549.db2.gz LDFRQDRDEABOSU-GOSISDBHSA-N 2 0 368.525 3.828 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000415963188 942201531 /nfs/dbraw/zinc/20/15/31/942201531.db2.gz YGZPGYQOHVASDT-UHFFFAOYSA-N 2 0 368.525 3.700 20 0 FHADRP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697679 942204507 /nfs/dbraw/zinc/20/45/07/942204507.db2.gz QNEGVVZQRGFQNF-LRSLUSHPSA-N 2 0 364.537 3.547 20 0 FHADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972425 942216979 /nfs/dbraw/zinc/21/69/79/942216979.db2.gz OPLCCQJSZCWJPV-STQMWFEESA-N 2 0 372.435 3.549 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000415975719 942228354 /nfs/dbraw/zinc/22/83/54/942228354.db2.gz UIAYAEKLEHRVBP-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000415984027 942233147 /nfs/dbraw/zinc/23/31/47/942233147.db2.gz HKFPSOVIIKIPLL-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000501005908 942254614 /nfs/dbraw/zinc/25/46/14/942254614.db2.gz FYPWGRRPHLAVPQ-UHFFFAOYSA-N 2 0 361.961 3.845 20 0 FHADRP C[N@H+](CCCOc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501035643 942278104 /nfs/dbraw/zinc/27/81/04/942278104.db2.gz XSDHCLGOUDENLK-UHFFFAOYSA-N 2 0 357.473 3.838 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C/C=C/c3ccc(Cl)cc3)CC2)CC1 ZINC000420983769 942282115 /nfs/dbraw/zinc/28/21/15/942282115.db2.gz ROUQTVWPNRZTGU-HWKANZROSA-N 2 0 361.961 3.845 20 0 FHADRP CCc1nc(C(C)C)ccc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420973404 942286113 /nfs/dbraw/zinc/28/61/13/942286113.db2.gz CIDCRWSOKLVGJB-UHFFFAOYSA-N 2 0 372.601 3.759 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCCOc3cc(C)cc(C)c3)CC2)CC1 ZINC000421011255 942291013 /nfs/dbraw/zinc/29/10/13/942291013.db2.gz OYUKETVREKIRMJ-UHFFFAOYSA-N 2 0 373.585 3.564 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSC2CCCCC2)CC1 ZINC000501139722 942325154 /nfs/dbraw/zinc/32/51/54/942325154.db2.gz CUERPCFBNHCDQL-RTBURBONSA-N 2 0 353.620 3.543 20 0 FHADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000584559528 942335638 /nfs/dbraw/zinc/33/56/38/942335638.db2.gz VCWDWAWRENFEFD-BJESRGMDSA-N 2 0 355.570 3.751 20 0 FHADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000502324892 942355910 /nfs/dbraw/zinc/35/59/10/942355910.db2.gz FTOFWKGIYPMPGX-INIZCTEOSA-N 2 0 373.570 3.902 20 0 FHADRP Cc1ncc(CN2CC[C@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)[C@@H](C)C2)s1 ZINC000378184170 942365229 /nfs/dbraw/zinc/36/52/29/942365229.db2.gz MEVYBSMFVYSSOT-KXBFYZLASA-N 2 0 364.603 3.514 20 0 FHADRP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501285807 942388634 /nfs/dbraw/zinc/38/86/34/942388634.db2.gz RGUMXTXVJRXQTA-BAGYTPMASA-N 2 0 371.569 3.935 20 0 FHADRP [NH3+]CCCCCCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000378203387 942392991 /nfs/dbraw/zinc/39/29/91/942392991.db2.gz QDNGSWAFAISLPS-SFTDATJTSA-N 2 0 357.542 3.551 20 0 FHADRP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414822511 942419626 /nfs/dbraw/zinc/41/96/26/942419626.db2.gz AJOHVHZPJAITEC-UKRRQHHQSA-N 2 0 360.420 3.504 20 0 FHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000502430221 942428934 /nfs/dbraw/zinc/42/89/34/942428934.db2.gz KKADHZQWJVLRBI-IWQHBPENSA-N 2 0 360.542 3.591 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000416180425 942444840 /nfs/dbraw/zinc/44/48/40/942444840.db2.gz PEIMNPLDJAVYOQ-QFIPXVFZSA-N 2 0 371.569 3.794 20 0 FHADRP Brc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414826509 942447959 /nfs/dbraw/zinc/44/79/59/942447959.db2.gz IYLRNFXZCNUYKV-GFCCVEGCSA-N 2 0 366.328 3.662 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501417361 942458117 /nfs/dbraw/zinc/45/81/17/942458117.db2.gz CSDFMQCRJTTXQD-PZJWPPBQSA-N 2 0 353.510 3.838 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828033 942466078 /nfs/dbraw/zinc/46/60/78/942466078.db2.gz IGGFDZQCHSURGF-SNVBAGLBSA-N 2 0 351.210 3.557 20 0 FHADRP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828199 942467447 /nfs/dbraw/zinc/46/74/47/942467447.db2.gz LOMJFIBKRNSBAM-UFRUDQCGSA-N 2 0 356.460 3.991 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414831043 942487871 /nfs/dbraw/zinc/48/78/71/942487871.db2.gz PGTSVSZHZCCYDT-GOSISDBHSA-N 2 0 358.457 3.503 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000501467446 942489206 /nfs/dbraw/zinc/48/92/06/942489206.db2.gz OKKJESJAYGIVKX-PEZBUJJGSA-N 2 0 369.475 3.724 20 0 FHADRP O=C(Nc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1)c1ccccc1Cl ZINC000414833203 942492849 /nfs/dbraw/zinc/49/28/49/942492849.db2.gz PKMBVJRPYLCAAR-HNNXBMFYSA-N 2 0 357.885 3.682 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414835374 942519460 /nfs/dbraw/zinc/51/94/60/942519460.db2.gz ILIBSOVKTAPARL-KRWDZBQOSA-N 2 0 360.933 3.681 20 0 FHADRP CCCC[NH+](CCCC)CCNc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001167734546 942521066 /nfs/dbraw/zinc/52/10/66/942521066.db2.gz IPSIJEDXAYKECS-UHFFFAOYSA-N 2 0 374.573 3.564 20 0 FHADRP CCc1ccc([C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[NH+](C)C)cc1 ZINC000041799871 942521416 /nfs/dbraw/zinc/52/14/16/942521416.db2.gz BFWZKSXMIFNVMJ-FQEVSTJZSA-N 2 0 371.525 3.717 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000421374096 942525968 /nfs/dbraw/zinc/52/59/68/942525968.db2.gz NKNHUGOLKUHTBC-BJKOFHAPSA-N 2 0 369.597 3.989 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000421375914 942526469 /nfs/dbraw/zinc/52/64/69/942526469.db2.gz PIPMIDOGJXRJOT-NRFANRHFSA-N 2 0 357.586 3.747 20 0 FHADRP C[NH+](C)C1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000421374976 942526932 /nfs/dbraw/zinc/52/69/32/942526932.db2.gz PNBCPZXKYXPTNG-UHFFFAOYSA-N 2 0 365.315 3.687 20 0 FHADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421383548 942537389 /nfs/dbraw/zinc/53/73/89/942537389.db2.gz ZHFJVSKWFWUIKZ-UWTIGNOOSA-N 2 0 357.311 3.982 20 0 FHADRP FC(F)(F)c1ccc(-c2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000414839339 942549883 /nfs/dbraw/zinc/54/98/83/942549883.db2.gz WAQGQUYFJLZSIR-LBPRGKRZSA-N 2 0 355.429 3.918 20 0 FHADRP Cc1cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000416254438 942558731 /nfs/dbraw/zinc/55/87/31/942558731.db2.gz VHDFOMJYBNQESV-FQEVSTJZSA-N 2 0 369.509 3.567 20 0 FHADRP CC(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000502622340 942587040 /nfs/dbraw/zinc/58/70/40/942587040.db2.gz GHUUMLYICPJJSR-UHFFFAOYSA-N 2 0 357.542 3.523 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513919923 942595192 /nfs/dbraw/zinc/59/51/92/942595192.db2.gz HAYZTQMWHPEQOR-MJGOQNOKSA-N 2 0 359.558 3.570 20 0 FHADRP CCc1csc([C@H]2CCC[N@H+](C[C@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323067 942608864 /nfs/dbraw/zinc/60/88/64/942608864.db2.gz TVMHGLYSKMLBLT-IRXDYDNUSA-N 2 0 359.539 3.636 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000420299597 942609800 /nfs/dbraw/zinc/60/98/00/942609800.db2.gz JBIJDYXZRDTNLU-QFIPXVFZSA-N 2 0 368.521 3.666 20 0 FHADRP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299284 942610139 /nfs/dbraw/zinc/61/01/39/942610139.db2.gz IQDRXFVJICJMRT-XJKSGUPXSA-N 2 0 353.304 3.594 20 0 FHADRP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420300077 942611193 /nfs/dbraw/zinc/61/11/93/942611193.db2.gz HBBFRHQSQKXZOW-GAJHUEQPSA-N 2 0 366.505 3.651 20 0 FHADRP CCn1ccnc1C[N@H+](CCCc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420305133 942612694 /nfs/dbraw/zinc/61/26/94/942612694.db2.gz GAATUOZURSMELL-SFHVURJKSA-N 2 0 358.555 3.541 20 0 FHADRP FC1(F)CCC[C@@H](C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000420307535 942612852 /nfs/dbraw/zinc/61/28/52/942612852.db2.gz IZHOVMYUKRAMEZ-CABCVRRESA-N 2 0 355.498 3.913 20 0 FHADRP CCn1ccnc1C[N@H+](CCCc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420305129 942612910 /nfs/dbraw/zinc/61/29/10/942612910.db2.gz GAATUOZURSMELL-GOSISDBHSA-N 2 0 358.555 3.541 20 0 FHADRP OCCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420309434 942614750 /nfs/dbraw/zinc/61/47/50/942614750.db2.gz TWONMJYDOXUYDJ-FQEVSTJZSA-N 2 0 352.522 3.850 20 0 FHADRP COc1cc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000420318251 942620190 /nfs/dbraw/zinc/62/01/90/942620190.db2.gz OETKHIIDHWFPFL-CQSZACIVSA-N 2 0 354.441 3.651 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340184 942623716 /nfs/dbraw/zinc/62/37/16/942623716.db2.gz MTDUBIPXOZSIRM-GBESFXJTSA-N 2 0 357.542 3.767 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420344527 942626211 /nfs/dbraw/zinc/62/62/11/942626211.db2.gz UAMPKJTWKDMGQI-QFIPXVFZSA-N 2 0 363.505 3.903 20 0 FHADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420324762 942628724 /nfs/dbraw/zinc/62/87/24/942628724.db2.gz AZTOGRRXEDGPQV-CALCHBBNSA-N 2 0 356.901 3.537 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000501736383 942642989 /nfs/dbraw/zinc/64/29/89/942642989.db2.gz RLRFWJAYAMQHNQ-HXUWFJFHSA-N 2 0 361.530 3.657 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000420370117 942643468 /nfs/dbraw/zinc/64/34/68/942643468.db2.gz CFGNRJVTWHWKLL-FUHWJXTLSA-N 2 0 373.324 3.591 20 0 FHADRP CC(C)(C)c1cccc(OCCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420380749 942647608 /nfs/dbraw/zinc/64/76/08/942647608.db2.gz CDHOQUXVRJAJAB-RBBKRZOGSA-N 2 0 374.569 3.971 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420381768 942647617 /nfs/dbraw/zinc/64/76/17/942647617.db2.gz PBVKFTXZFHLYPC-JEBQAFNWSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000420384036 942649104 /nfs/dbraw/zinc/64/91/04/942649104.db2.gz RCQPNXHNYKFSON-PKTZIBPZSA-N 2 0 352.522 3.991 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000420388628 942650488 /nfs/dbraw/zinc/65/04/88/942650488.db2.gz LRBZGAYDOXFEDD-FUHWJXTLSA-N 2 0 354.947 3.650 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420392065 942652846 /nfs/dbraw/zinc/65/28/46/942652846.db2.gz PGJDKOQWBXPASK-RPVQJOFSSA-N 2 0 372.431 3.865 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000420394597 942653683 /nfs/dbraw/zinc/65/36/83/942653683.db2.gz RYJJTLJQNFYXCF-FYYLOGMGSA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000420396319 942654429 /nfs/dbraw/zinc/65/44/29/942654429.db2.gz VQHGEKIPXGLCHD-FYYLOGMGSA-N 2 0 352.522 3.991 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420408405 942664321 /nfs/dbraw/zinc/66/43/21/942664321.db2.gz WGFILJUJWIFECC-WOJBJXKFSA-N 2 0 360.505 3.965 20 0 FHADRP Cc1cc(Cl)ccc1Oc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420409252 942665258 /nfs/dbraw/zinc/66/52/58/942665258.db2.gz YGHCLYRDEXVPQC-UHFFFAOYSA-N 2 0 360.885 3.726 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409524 942665270 /nfs/dbraw/zinc/66/52/70/942665270.db2.gz XESHWCGJWBTYSZ-CXAGYDPISA-N 2 0 370.324 3.786 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000042010101 942697192 /nfs/dbraw/zinc/69/71/92/942697192.db2.gz DMOKWBZKVWQPDE-UHFFFAOYSA-N 2 0 369.509 3.516 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000378405661 942732187 /nfs/dbraw/zinc/73/21/87/942732187.db2.gz SAVJAEMZWFJMJR-KCUHQSDYSA-N 2 0 366.933 3.507 20 0 FHADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000514092856 942742281 /nfs/dbraw/zinc/74/22/81/942742281.db2.gz GLHJZHMBKPUZFE-GUDVDZBRSA-N 2 0 355.530 3.676 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000514099079 942758263 /nfs/dbraw/zinc/75/82/63/942758263.db2.gz LQVLBANNAOBFLP-QOXFPCGXSA-N 2 0 367.581 3.894 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502815056 942766592 /nfs/dbraw/zinc/76/65/92/942766592.db2.gz NMWQWNCRWSQHAZ-MOPGFXCFSA-N 2 0 374.573 3.680 20 0 FHADRP Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000514136803 942774826 /nfs/dbraw/zinc/77/48/26/942774826.db2.gz BBPTUJVCUAWINN-CTNGQTDRSA-N 2 0 374.573 3.552 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000502844271 942791976 /nfs/dbraw/zinc/79/19/76/942791976.db2.gz WWOXPAUFIDHIQO-GOSISDBHSA-N 2 0 374.573 3.680 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470059 942800488 /nfs/dbraw/zinc/80/04/88/942800488.db2.gz AQJCOMFDUQHUEF-WJPUGNRLSA-N 2 0 352.482 3.900 20 0 FHADRP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000421834184 942838236 /nfs/dbraw/zinc/83/82/36/942838236.db2.gz KFMLTVHFBOEWBG-AWEZNQCLSA-N 2 0 363.889 3.535 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000421849015 942859176 /nfs/dbraw/zinc/85/91/76/942859176.db2.gz BFFRWIQEQQTDGR-AWEZNQCLSA-N 2 0 365.880 3.535 20 0 FHADRP COC1([C@H](C)[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000421871213 942869824 /nfs/dbraw/zinc/86/98/24/942869824.db2.gz TVNJBTHQLHECTA-PELRDEGISA-N 2 0 360.542 3.603 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000273218731 942910144 /nfs/dbraw/zinc/91/01/44/942910144.db2.gz MQMILDXGKDZYPC-INIZCTEOSA-N 2 0 363.571 3.649 20 0 FHADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000582050937 942916248 /nfs/dbraw/zinc/91/62/48/942916248.db2.gz QVDJKTDFGIIZSF-DNVCBOLYSA-N 2 0 370.522 3.556 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503048264 942939423 /nfs/dbraw/zinc/93/94/23/942939423.db2.gz BBIOIQJZFNXPJA-GUDVDZBRSA-N 2 0 374.573 3.535 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@@H]12 ZINC000503078926 942961049 /nfs/dbraw/zinc/96/10/49/942961049.db2.gz BKKVRRFFGZWNSN-HQZQWKOLSA-N 2 0 363.590 3.655 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414857337 943029967 /nfs/dbraw/zinc/02/99/67/943029967.db2.gz CWYMVTXAGKAPFN-AWEZNQCLSA-N 2 0 367.921 3.707 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271856066 943061418 /nfs/dbraw/zinc/06/14/18/943061418.db2.gz UVJGOWJAVRUXLX-UHFFFAOYSA-N 2 0 368.525 3.665 20 0 FHADRP Cn1cc(-c2ccc(C[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)s2)cn1 ZINC000282215061 943064055 /nfs/dbraw/zinc/06/40/55/943064055.db2.gz JOPULDQSPIYVNE-UHFFFAOYSA-N 2 0 358.486 3.639 20 0 FHADRP C[C@@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000414863020 943089878 /nfs/dbraw/zinc/08/98/78/943089878.db2.gz XUOVDUDGFNJTBT-PWSUYJOCSA-N 2 0 365.237 3.946 20 0 FHADRP C[NH+](C)[C@@H]1CCOc2c(NC3CC[NH+](Cc4cccnc4)CC3)cccc21 ZINC000435031819 943114678 /nfs/dbraw/zinc/11/46/78/943114678.db2.gz CLWOWQIYISETDA-OAQYLSRUSA-N 2 0 366.509 3.543 20 0 FHADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000414659100 943127175 /nfs/dbraw/zinc/12/71/75/943127175.db2.gz RTPHSVDYXZCRJA-GFCCVEGCSA-N 2 0 351.313 3.958 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[N@H+](C)C3CC[NH2+]CC3)cc2)c1 ZINC000414662625 943146936 /nfs/dbraw/zinc/14/69/36/943146936.db2.gz ZIFJWPMMMIGCFY-UHFFFAOYSA-N 2 0 356.466 3.680 20 0 FHADRP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272392761 943149093 /nfs/dbraw/zinc/14/90/93/943149093.db2.gz YFIASHPIRTXXAX-HKUYNNGSSA-N 2 0 370.566 3.612 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664865 943155869 /nfs/dbraw/zinc/15/58/69/943155869.db2.gz UJSOCIREMOLDBY-CABCVRRESA-N 2 0 360.933 3.992 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272603709 943185153 /nfs/dbraw/zinc/18/51/53/943185153.db2.gz USEOZLLBDLPBNC-CQSZACIVSA-N 2 0 371.447 3.744 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OCc1ccccc1 ZINC000414672243 943189947 /nfs/dbraw/zinc/18/99/47/943189947.db2.gz NLYUDPQTCHVZQU-KRWDZBQOSA-N 2 0 354.494 3.833 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674913 943200399 /nfs/dbraw/zinc/20/03/99/943200399.db2.gz SJPYTFYPDHVPQZ-YSSFQJQWSA-N 2 0 358.917 3.702 20 0 FHADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C1 ZINC000414676243 943208325 /nfs/dbraw/zinc/20/83/25/943208325.db2.gz RYOKHSHTVHDANP-IBGZPJMESA-N 2 0 360.505 3.889 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733771 943212249 /nfs/dbraw/zinc/21/22/49/943212249.db2.gz JHUWWUBRWTZTHQ-FCHUYYIVSA-N 2 0 354.469 3.633 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422700155 943236885 /nfs/dbraw/zinc/23/68/85/943236885.db2.gz BNVQKWXFIWYVMA-MRXNPFEDSA-N 2 0 362.477 3.674 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC[NH2+]CC1 ZINC000422708534 943242197 /nfs/dbraw/zinc/24/21/97/943242197.db2.gz JBBZBPBVMNHQBE-HOCLYGCPSA-N 2 0 372.431 3.591 20 0 FHADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c21 ZINC000422708618 943242394 /nfs/dbraw/zinc/24/23/94/943242394.db2.gz CBGGAYCZCQADLL-NZQKXSOJSA-N 2 0 361.489 3.864 20 0 FHADRP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422712251 943244877 /nfs/dbraw/zinc/24/48/77/943244877.db2.gz IDARVNJIHIKUID-CZJMCEMMSA-N 2 0 354.469 3.991 20 0 FHADRP CC[N@H+](C)Cc1cccc(CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)c1 ZINC000422733585 943250940 /nfs/dbraw/zinc/25/09/40/943250940.db2.gz BKBGFEXXSCSDDR-PKTZIBPZSA-N 2 0 367.537 3.730 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714444 943254011 /nfs/dbraw/zinc/25/40/11/943254011.db2.gz QZNSQQWZVCXFJV-BEFAXECRSA-N 2 0 369.475 3.648 20 0 FHADRP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422757811 943262258 /nfs/dbraw/zinc/26/22/58/943262258.db2.gz MZBYGCNZSDKACO-ODAXIHTASA-N 2 0 371.569 3.733 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC000422758768 943263416 /nfs/dbraw/zinc/26/34/16/943263416.db2.gz JWRCVEJOWONGLK-STQMWFEESA-N 2 0 362.315 3.893 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc3ccccc32)CC[NH2+]CC1 ZINC000422760857 943264222 /nfs/dbraw/zinc/26/42/22/943264222.db2.gz MGGVUACILBJCEE-SJORKVTESA-N 2 0 354.494 3.812 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000422738943 943265572 /nfs/dbraw/zinc/26/55/72/943265572.db2.gz KNFSUZFQVYTWSP-MLGOLLRUSA-N 2 0 351.491 3.662 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)CC3 ZINC000273064560 943267874 /nfs/dbraw/zinc/26/78/74/943267874.db2.gz LZIJDOVVPRGAKL-MRXNPFEDSA-N 2 0 353.510 3.640 20 0 FHADRP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422744044 943267883 /nfs/dbraw/zinc/26/78/83/943267883.db2.gz JRAUGNUAQDXQPF-NMIHRBCNSA-N 2 0 371.569 3.733 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422744434 943269464 /nfs/dbraw/zinc/26/94/64/943269464.db2.gz SWKSAQVZRJRJAE-PVXIVEMSSA-N 2 0 355.345 3.964 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422766820 943274465 /nfs/dbraw/zinc/27/44/65/943274465.db2.gz RIZZUPRTZBEECG-UWJYYQICSA-N 2 0 372.940 3.936 20 0 FHADRP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422768900 943275621 /nfs/dbraw/zinc/27/56/21/943275621.db2.gz VCCQKZCCQHVSQM-GUGJDKNPSA-N 2 0 357.542 3.564 20 0 FHADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768284 943275688 /nfs/dbraw/zinc/27/56/88/943275688.db2.gz RXXXUEOASCRAGR-YLJYHZDGSA-N 2 0 358.869 3.694 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422777619 943279081 /nfs/dbraw/zinc/27/90/81/943279081.db2.gz FVUVYARBHBNBKN-DHIUTWEWSA-N 3 0 365.521 3.642 20 0 FHADRP Clc1ccc(OCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422786849 943282251 /nfs/dbraw/zinc/28/22/51/943282251.db2.gz SZRKCTKRJMODMN-DJIMGWMZSA-N 2 0 373.324 3.509 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422786473 943283281 /nfs/dbraw/zinc/28/32/81/943283281.db2.gz OXVDRRDIPOTICY-DHUIEDIVSA-N 2 0 356.441 3.741 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797830 943287177 /nfs/dbraw/zinc/28/71/77/943287177.db2.gz OQVHCTPFNYLZKU-NKGKWGDASA-N 2 0 367.331 3.727 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797831 943287354 /nfs/dbraw/zinc/28/73/54/943287354.db2.gz OQVHCTPFNYLZKU-XFKAJCMBSA-N 2 0 367.331 3.727 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000422797891 943288079 /nfs/dbraw/zinc/28/80/79/943288079.db2.gz OXVXTSPELZOLJL-JJXUHFIVSA-N 2 0 372.896 3.953 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000422797892 943288146 /nfs/dbraw/zinc/28/81/46/943288146.db2.gz OXVXTSPELZOLJL-MFMILTCTSA-N 2 0 372.896 3.953 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422810659 943291731 /nfs/dbraw/zinc/29/17/31/943291731.db2.gz UNXLNTRNYDYECB-UONOGXRCSA-N 2 0 352.482 3.609 20 0 FHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422790707 943294064 /nfs/dbraw/zinc/29/40/64/943294064.db2.gz PQULXGOUVGNUEK-DNVJHFABSA-N 2 0 366.505 3.609 20 0 FHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422820173 943295012 /nfs/dbraw/zinc/29/50/12/943295012.db2.gz PGQJUXJHHINZDR-CXHZTBPHSA-N 2 0 354.416 3.953 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422819876 943295818 /nfs/dbraw/zinc/29/58/18/943295818.db2.gz JEDPJDJWDCYZAH-HNNXBMFYSA-N 2 0 366.933 3.529 20 0 FHADRP Fc1ccc(OCCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422831856 943298790 /nfs/dbraw/zinc/29/87/90/943298790.db2.gz KAGCFTKIEPRKFR-UNMCSNQZSA-N 2 0 370.468 3.830 20 0 FHADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422830897 943298871 /nfs/dbraw/zinc/29/88/71/943298871.db2.gz DGTAREKKCHASMR-XUVXKRRUSA-N 2 0 357.542 3.564 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)Oc1ccccc1Br ZINC000422841275 943301926 /nfs/dbraw/zinc/30/19/26/943301926.db2.gz VLNCNJRJDPHPEI-JLZZUVOBSA-N 2 0 361.283 3.951 20 0 FHADRP c1ccc(COCCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422839796 943301954 /nfs/dbraw/zinc/30/19/54/943301954.db2.gz RJKYZKCWCFPZPU-GMAHTHKFSA-N 2 0 366.505 3.829 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422841016 943302054 /nfs/dbraw/zinc/30/20/54/943302054.db2.gz VASMYBYUSFDOFK-GMAHTHKFSA-N 3 0 371.569 3.590 20 0 FHADRP FC(F)(F)C1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422818134 943303089 /nfs/dbraw/zinc/30/30/89/943303089.db2.gz JHOSFLBQALEZOJ-WOVHFWOGSA-N 2 0 354.416 3.953 20 0 FHADRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000422818728 943303275 /nfs/dbraw/zinc/30/32/75/943303275.db2.gz HAZXREQCJOJVDT-HSALFYBXSA-N 2 0 372.534 3.670 20 0 FHADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422851323 943305728 /nfs/dbraw/zinc/30/57/28/943305728.db2.gz FGMREOHOJXUJFW-NJDAHSKKSA-N 2 0 360.542 3.811 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850932 943305769 /nfs/dbraw/zinc/30/57/69/943305769.db2.gz WIPKCGCMAWYPKC-PXNSSMCTSA-N 2 0 355.457 3.685 20 0 FHADRP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422860777 943308946 /nfs/dbraw/zinc/30/89/46/943308946.db2.gz NAFJPXZDZQBHDZ-BHDDXSALSA-N 2 0 352.478 3.726 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCCCC1 ZINC000422864105 943309598 /nfs/dbraw/zinc/30/95/98/943309598.db2.gz TXQBGMASHKUODZ-SNRMKQJTSA-N 2 0 350.934 3.884 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422843190 943312215 /nfs/dbraw/zinc/31/22/15/943312215.db2.gz HHTXEYGABRHHDO-UWJYYQICSA-N 2 0 366.509 3.734 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422879397 943314181 /nfs/dbraw/zinc/31/41/81/943314181.db2.gz KHXGDRODLPHYOA-YSIASYRMSA-N 2 0 355.551 3.565 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422879021 943314200 /nfs/dbraw/zinc/31/42/00/943314200.db2.gz JZKNZCARECRLDN-YTFSRNRJSA-N 2 0 366.505 3.512 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000422891863 943314929 /nfs/dbraw/zinc/31/49/29/943314929.db2.gz LSVZQDSWRMRMAD-JENIJYKNSA-N 2 0 364.530 3.682 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883520 943317025 /nfs/dbraw/zinc/31/70/25/943317025.db2.gz QOXMLXDNDWHCGU-DUXKGJEZSA-N 2 0 369.578 3.825 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCOCC1 ZINC000422884556 943317705 /nfs/dbraw/zinc/31/77/05/943317705.db2.gz XHIIDCLOLDIJQO-QGZVFWFLSA-N 2 0 353.510 3.556 20 0 FHADRP C[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889986 943319331 /nfs/dbraw/zinc/31/93/31/943319331.db2.gz HECBQSXPRGKIAD-KSZLIROESA-N 2 0 352.526 3.823 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422890067 943319382 /nfs/dbraw/zinc/31/93/82/943319382.db2.gz HUMDALNPKWVAQE-LBPRGKRZSA-N 2 0 353.388 3.641 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870277 943320728 /nfs/dbraw/zinc/32/07/28/943320728.db2.gz XNGOOOBRPAVJOU-UXHICEINSA-N 2 0 365.477 3.852 20 0 FHADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422873561 943322604 /nfs/dbraw/zinc/32/26/04/943322604.db2.gz LOUNCDZDVHZGPI-UWJYYQICSA-N 2 0 374.431 3.942 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422873650 943322616 /nfs/dbraw/zinc/32/26/16/943322616.db2.gz AWLLWZATLOGUCF-ZIAGYGMSSA-N 2 0 367.497 3.544 20 0 FHADRP CCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422874723 943323455 /nfs/dbraw/zinc/32/34/55/943323455.db2.gz ASRFUHSRGYPSGG-WIXQSORDSA-N 2 0 372.557 3.501 20 0 FHADRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000422902076 943324935 /nfs/dbraw/zinc/32/49/35/943324935.db2.gz CWCQMNHDOAFLDU-GHTZIAJQSA-N 2 0 357.542 3.500 20 0 FHADRP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1-c1ccncc1 ZINC000422907741 943327116 /nfs/dbraw/zinc/32/71/16/943327116.db2.gz CHEDNOUKDFMXJJ-OKZBNKHCSA-N 2 0 356.539 3.648 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422907785 943327351 /nfs/dbraw/zinc/32/73/51/943327351.db2.gz XNWBLQZBPKJGNZ-BHDDXSALSA-N 2 0 372.553 3.644 20 0 FHADRP c1ccc(CC2CC[NH+](CCCC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422911073 943328173 /nfs/dbraw/zinc/32/81/73/943328173.db2.gz SCRWXFLPNOVZLQ-AIZNXBIQSA-N 3 0 355.570 3.594 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1c(F)cccc1Cl ZINC000422916843 943330182 /nfs/dbraw/zinc/33/01/82/943330182.db2.gz BQXAAXKXGSDOKM-IAOVAPTHSA-N 2 0 354.897 3.503 20 0 FHADRP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422931084 943335885 /nfs/dbraw/zinc/33/58/85/943335885.db2.gz WXMNRYXGQZXPCJ-RJGXRXQPSA-N 2 0 350.506 3.909 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000422936996 943338471 /nfs/dbraw/zinc/33/84/71/943338471.db2.gz IZAIREYQRQAUSX-GAJHUEQPSA-N 2 0 366.553 3.582 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422940165 943339100 /nfs/dbraw/zinc/33/91/00/943339100.db2.gz SEXMQZUXVTYMAR-LLVKDONJSA-N 2 0 366.278 3.644 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000414705502 943339480 /nfs/dbraw/zinc/33/94/80/943339480.db2.gz FEMYQCJDRAXZOL-SFHVURJKSA-N 2 0 372.557 3.962 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000422943176 943340442 /nfs/dbraw/zinc/34/04/42/943340442.db2.gz QMAMANBQWPMKHG-STQMWFEESA-N 2 0 362.315 3.893 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422943449 943344083 /nfs/dbraw/zinc/34/40/83/943344083.db2.gz LNVBIINNBGZKCY-FOIQADDNSA-N 2 0 353.441 3.571 20 0 FHADRP CN1CCC[C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1c1cccs1 ZINC000641728674 943345284 /nfs/dbraw/zinc/34/52/84/943345284.db2.gz FOKLIBHOPTUKRZ-KBXCAEBGSA-N 2 0 356.495 3.503 20 0 FHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422947416 943345467 /nfs/dbraw/zinc/34/54/67/943345467.db2.gz QNIFUVBEHMTDDC-AOIWGVFYSA-N 2 0 358.551 3.972 20 0 FHADRP Fc1ccc(CC2(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422989475 943352306 /nfs/dbraw/zinc/35/23/06/943352306.db2.gz LWYYOLLMGGRYQH-NFBKMPQASA-N 2 0 366.480 3.994 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)c1ccco1 ZINC000422978222 943356697 /nfs/dbraw/zinc/35/66/97/943356697.db2.gz YUNSERXFHNMSFP-KCZVDYSFSA-N 2 0 371.525 3.754 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000422978500 943357027 /nfs/dbraw/zinc/35/70/27/943357027.db2.gz HMOOKLWXDRBEIH-NQIIRXRSSA-N 2 0 359.558 3.614 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422981302 943357337 /nfs/dbraw/zinc/35/73/37/943357337.db2.gz NSCCBSDUPXYQJE-ZHRRBRCNSA-N 2 0 353.510 3.984 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377642 943357901 /nfs/dbraw/zinc/35/79/01/943357901.db2.gz DWDNAAHMNWTXPH-FFZOFVMBSA-N 2 0 352.478 3.540 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)c2)CC1 ZINC000584670894 943358844 /nfs/dbraw/zinc/35/88/44/943358844.db2.gz WUKUGOICKLDSLR-YPAWHYETSA-N 2 0 356.558 3.502 20 0 FHADRP Clc1ccccc1OCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003649 943362354 /nfs/dbraw/zinc/36/23/54/943362354.db2.gz MRNPWPZYUXFHCE-PXNSSMCTSA-N 2 0 358.869 3.564 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c(F)c1 ZINC000423013260 943364811 /nfs/dbraw/zinc/36/48/11/943364811.db2.gz MLHYKLHFTOQDKI-KNQAVFIVSA-N 2 0 370.443 3.842 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923793 943365398 /nfs/dbraw/zinc/36/53/98/943365398.db2.gz OADPNQPUSTVZDH-UXHICEINSA-N 2 0 373.566 3.940 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022513 943367542 /nfs/dbraw/zinc/36/75/42/943367542.db2.gz HYJNUSGNQZVXIW-DZGCQCFKSA-N 2 0 362.880 3.571 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435379131 943369146 /nfs/dbraw/zinc/36/91/46/943369146.db2.gz LBTCEFABCXZWSA-WMLDXEAASA-N 2 0 360.933 3.761 20 0 FHADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000435381696 943369398 /nfs/dbraw/zinc/36/93/98/943369398.db2.gz VITGFUUEAUXWGD-FFZOFVMBSA-N 2 0 369.896 3.761 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423048562 943369591 /nfs/dbraw/zinc/36/95/91/943369591.db2.gz WWKQUDUZCIXORZ-PMVJOBDPSA-N 2 0 365.924 3.876 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000435380909 943370195 /nfs/dbraw/zinc/37/01/95/943370195.db2.gz QHCMQOMPTJEHEI-UHFFFAOYSA-N 2 0 362.468 3.589 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423029664 943371283 /nfs/dbraw/zinc/37/12/83/943371283.db2.gz SHXWCRDZLQTQPQ-BHDDXSALSA-N 2 0 356.558 3.550 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)c2)CC1 ZINC000423031711 943372239 /nfs/dbraw/zinc/37/22/39/943372239.db2.gz VGLWEZWKTTWBJY-FGZHOGPDSA-N 2 0 350.510 3.774 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423032683 943372484 /nfs/dbraw/zinc/37/24/84/943372484.db2.gz YJBNGUGCDMIRNV-IINYFYTJSA-N 2 0 365.237 3.946 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000660159330 943373992 /nfs/dbraw/zinc/37/39/92/943373992.db2.gz SMTJXLYDWLGGIC-IBGZPJMESA-N 2 0 361.555 3.543 20 0 FHADRP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCO2)cc1 ZINC000423056613 943377099 /nfs/dbraw/zinc/37/70/99/943377099.db2.gz YSKYNDOKMYCALW-VLSUOOLDSA-N 2 0 364.489 3.752 20 0 FHADRP CCSc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccn1 ZINC000423063572 943379565 /nfs/dbraw/zinc/37/95/65/943379565.db2.gz PFUCFDUMERHUFP-YLJYHZDGSA-N 2 0 355.507 3.539 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2F)CCCC1 ZINC000423070340 943381321 /nfs/dbraw/zinc/38/13/21/943381321.db2.gz GADXYQKUQCICMX-VBQJREDUSA-N 2 0 354.897 3.633 20 0 FHADRP Brc1cccc(C[C@@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000423054211 943385116 /nfs/dbraw/zinc/38/51/16/943385116.db2.gz UBXQYZZVYLZUKM-ZWKOTPCHSA-N 2 0 351.332 3.892 20 0 FHADRP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423079860 943386185 /nfs/dbraw/zinc/38/61/85/943386185.db2.gz RGQCRMMCOXVUKQ-GVDBMIGSSA-N 2 0 371.447 3.770 20 0 FHADRP FC(F)(F)c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423094556 943392172 /nfs/dbraw/zinc/39/21/72/943392172.db2.gz KJXQOSBQHYJSGL-RXABAKJHSA-N 2 0 368.443 3.698 20 0 FHADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423075996 943395079 /nfs/dbraw/zinc/39/50/79/943395079.db2.gz PWFMPCFUKZVYNW-UZVYXBEXSA-N 2 0 364.489 3.610 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423123896 943398661 /nfs/dbraw/zinc/39/86/61/943398661.db2.gz NPSGIVSEIZCIEC-CJNGLKHVSA-N 2 0 351.416 3.921 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423127859 943399565 /nfs/dbraw/zinc/39/95/65/943399565.db2.gz PTAADZFSTOYVEQ-LEOXJPRUSA-N 2 0 369.553 3.625 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c3ccccc32)CC[NH2+]CC1 ZINC000423130895 943400546 /nfs/dbraw/zinc/40/05/46/943400546.db2.gz SLYLPMRQWGCBCK-JKSUJKDBSA-N 2 0 372.484 3.951 20 0 FHADRP c1ccc(COc2cnccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423104794 943401902 /nfs/dbraw/zinc/40/19/02/943401902.db2.gz MRNDSXJGGOKJJR-QHAWAJNXSA-N 2 0 351.494 3.671 20 0 FHADRP COc1cc(OC)cc(Oc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)c1 ZINC000423109688 943403352 /nfs/dbraw/zinc/40/33/52/943403352.db2.gz SWMSJDYNCJWSSZ-JWTNVVGKSA-N 2 0 368.477 3.869 20 0 FHADRP c1cc(C[N@H+](Cc2cccc3c2OCCO3)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435425086 943405244 /nfs/dbraw/zinc/40/52/44/943405244.db2.gz BQOSYQFQSHOSMT-IBGZPJMESA-N 2 0 370.518 3.664 20 0 FHADRP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414718601 943406658 /nfs/dbraw/zinc/40/66/58/943406658.db2.gz WGUMTVLQEIHYMF-NRFANRHFSA-N 2 0 360.546 3.946 20 0 FHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000503919728 943407884 /nfs/dbraw/zinc/40/78/84/943407884.db2.gz IPOJLJGLABJMDK-BMSWRWNDSA-N 2 0 350.453 3.932 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000414719212 943413163 /nfs/dbraw/zinc/41/31/63/943413163.db2.gz XRWFNZHOVOFDSK-KDURUIRLSA-N 2 0 370.541 3.809 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139871 943417197 /nfs/dbraw/zinc/41/71/97/943417197.db2.gz WSPRPUNDGJIXMD-ZIAGYGMSSA-N 2 0 353.445 3.585 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143552 943418491 /nfs/dbraw/zinc/41/84/91/943418491.db2.gz XFAVRNPRJAJURW-WIYYLYMNSA-N 3 0 366.553 3.802 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cnc3ccccc3n2)CC1)CC1CC1 ZINC000660168419 943419780 /nfs/dbraw/zinc/41/97/80/943419780.db2.gz QATRZCRQFAKKQW-UHFFFAOYSA-N 2 0 352.526 3.964 20 0 FHADRP CCCOc1c(Cl)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000503948421 943419809 /nfs/dbraw/zinc/41/98/09/943419809.db2.gz WDMLOQPPXLYALX-UHFFFAOYSA-N 2 0 354.922 3.959 20 0 FHADRP Brc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206077 943430710 /nfs/dbraw/zinc/43/07/10/943430710.db2.gz FSPTVABHYKBLJU-KDOFPFPSSA-N 2 0 367.331 3.506 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423206041 943430743 /nfs/dbraw/zinc/43/07/43/943430743.db2.gz FPZBOMMNWZBOFH-XMSQKQJNSA-N 2 0 354.494 3.577 20 0 FHADRP Clc1ccccc1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243060 943456889 /nfs/dbraw/zinc/45/68/89/943456889.db2.gz GDHVOBNKJUVIGP-BTYIYWSLSA-N 2 0 372.896 3.790 20 0 FHADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423246406 943458127 /nfs/dbraw/zinc/45/81/27/943458127.db2.gz JYFVGILXAZDHRN-MSOLQXFVSA-N 2 0 364.493 3.564 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423256636 943460970 /nfs/dbraw/zinc/46/09/70/943460970.db2.gz FMSVWJZAIXVVHT-WMZHIEFXSA-N 2 0 368.521 3.967 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423256467 943461063 /nfs/dbraw/zinc/46/10/63/943461063.db2.gz FFTSRWLGDQTAJM-LNLFQRSKSA-N 2 0 364.505 3.814 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423257363 943461292 /nfs/dbraw/zinc/46/12/92/943461292.db2.gz IZZFVVFBNXDTGA-SWLSCSKDSA-N 2 0 355.345 3.965 20 0 FHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423283157 943463491 /nfs/dbraw/zinc/46/34/91/943463491.db2.gz XJNBSWVSPFGWKB-BDJLRTHQSA-N 2 0 350.304 3.753 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c2ccccc21 ZINC000423293375 943466103 /nfs/dbraw/zinc/46/61/03/943466103.db2.gz RDEPKSOLDNVWOO-RVHYNSKXSA-N 2 0 352.478 3.978 20 0 FHADRP CC1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC[NH2+]CC1 ZINC000423345719 943477976 /nfs/dbraw/zinc/47/79/76/943477976.db2.gz YWYRSICAVRKEQZ-KRWDZBQOSA-N 2 0 351.332 3.750 20 0 FHADRP COCCC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423344264 943478063 /nfs/dbraw/zinc/47/80/63/943478063.db2.gz XLSDBOZRQSUXET-QZTJIDSGSA-N 2 0 369.347 3.896 20 0 FHADRP COCCC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423343863 943478131 /nfs/dbraw/zinc/47/81/31/943478131.db2.gz XLSDBOZRQSUXET-MSOLQXFVSA-N 2 0 369.347 3.896 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1=CC[NH2+]CC1 ZINC000423345144 943478479 /nfs/dbraw/zinc/47/84/79/943478479.db2.gz FSNSAYHJJLTNQA-KRWDZBQOSA-N 2 0 360.299 3.817 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccc(OC)cc2)cc1 ZINC000423332168 943482649 /nfs/dbraw/zinc/48/26/49/943482649.db2.gz PATXLBVTKSSLQS-QFIPXVFZSA-N 2 0 368.521 3.967 20 0 FHADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000423373608 943485527 /nfs/dbraw/zinc/48/55/27/943485527.db2.gz HSZVCNWAMBMSTQ-LEWJYISDSA-N 2 0 350.462 3.561 20 0 FHADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414734825 943485811 /nfs/dbraw/zinc/48/58/11/943485811.db2.gz LFKDZTSYZQRKIU-KRWDZBQOSA-N 2 0 353.514 3.621 20 0 FHADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000423354649 943488441 /nfs/dbraw/zinc/48/84/41/943488441.db2.gz NTCYVMPDJSGPKD-UTKZUKDTSA-N 2 0 359.558 3.687 20 0 FHADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000423358949 943490636 /nfs/dbraw/zinc/49/06/36/943490636.db2.gz CMTDFKQBDGGWLH-NQYLQCIDSA-N 2 0 360.448 3.640 20 0 FHADRP COc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423364057 943492491 /nfs/dbraw/zinc/49/24/91/943492491.db2.gz YWWMBGABPQUBPM-QGZVFWFLSA-N 2 0 353.304 3.664 20 0 FHADRP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423399819 943502989 /nfs/dbraw/zinc/50/29/89/943502989.db2.gz VECULBMDAGDNRI-LBPRGKRZSA-N 2 0 363.274 3.912 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423403844 943507458 /nfs/dbraw/zinc/50/74/58/943507458.db2.gz SGKOSHGWGZIODC-RGYTYGDFSA-N 2 0 362.315 3.895 20 0 FHADRP COCC1(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC[NH2+]CC1 ZINC000423405495 943508180 /nfs/dbraw/zinc/50/81/80/943508180.db2.gz JKKLEFTZPSONTB-QGZVFWFLSA-N 2 0 367.331 3.506 20 0 FHADRP COCC1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[NH2+]CC1 ZINC000423406416 943508755 /nfs/dbraw/zinc/50/87/55/943508755.db2.gz KSFBZRYEPAEWMF-QGZVFWFLSA-N 2 0 372.431 3.642 20 0 FHADRP COCC1(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423411217 943510212 /nfs/dbraw/zinc/51/02/12/943510212.db2.gz TZQIUIQILCYORY-UHFFFAOYSA-N 2 0 360.448 3.660 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417320137 943513527 /nfs/dbraw/zinc/51/35/27/943513527.db2.gz IYVLMKIYGZLCNX-FFZOFVMBSA-N 2 0 356.535 3.862 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423431158 943517292 /nfs/dbraw/zinc/51/72/92/943517292.db2.gz LKNHLAOANKGUTI-CVEARBPZSA-N 2 0 352.544 3.571 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423464295 943523262 /nfs/dbraw/zinc/52/32/62/943523262.db2.gz QRLJBXCRTPXAFK-LEDKUEGHSA-N 3 0 353.554 3.535 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000423471474 943524861 /nfs/dbraw/zinc/52/48/61/943524861.db2.gz MCXYUSKGBJOSHQ-XUJOWKJQSA-N 2 0 360.517 3.704 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423453148 943528097 /nfs/dbraw/zinc/52/80/97/943528097.db2.gz AECXWCOVWTXEET-JZXOWHBKSA-N 2 0 364.555 3.571 20 0 FHADRP Cc1c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)nnn1-c1ccc(F)cc1 ZINC000423508485 943532341 /nfs/dbraw/zinc/53/23/41/943532341.db2.gz QWNJAIJUNIVSAK-FOIQADDNSA-N 2 0 367.472 3.846 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000423483088 943533142 /nfs/dbraw/zinc/53/31/42/943533142.db2.gz YEWJSIVRXCZPLV-OPNZPCBVSA-N 2 0 360.517 3.704 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423495329 943536844 /nfs/dbraw/zinc/53/68/44/943536844.db2.gz BSRNTSGSZWBQEV-JMUQELJHSA-N 2 0 351.538 3.749 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423495331 943537058 /nfs/dbraw/zinc/53/70/58/943537058.db2.gz BSRNTSGSZWBQEV-RZFNWQHOSA-N 2 0 351.538 3.749 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423494471 943537097 /nfs/dbraw/zinc/53/70/97/943537097.db2.gz SDJWTWCRUGVGPY-KPLVRAHFSA-N 2 0 354.494 3.705 20 0 FHADRP C[C@@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1Cc1ccccc1 ZINC000423530969 943538428 /nfs/dbraw/zinc/53/84/28/943538428.db2.gz RYPFMRCCFTVPFI-OPAUWTDSSA-N 2 0 367.581 3.783 20 0 FHADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414748802 943542219 /nfs/dbraw/zinc/54/22/19/943542219.db2.gz XEQNJSVKUJJZIN-KBPBESRZSA-N 2 0 367.896 3.518 20 0 FHADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351972 943542798 /nfs/dbraw/zinc/54/27/98/943542798.db2.gz TVWHWICDSFGHOJ-RYQLBKOJSA-N 2 0 359.539 3.755 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423517480 943543509 /nfs/dbraw/zinc/54/35/09/943543509.db2.gz YXEINCAXYZOWQD-YSZBQJHXSA-N 2 0 351.538 3.749 20 0 FHADRP C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423519781 943544054 /nfs/dbraw/zinc/54/40/54/943544054.db2.gz DPQOPBBOGVEXSY-RKWZGBHDSA-N 2 0 367.581 3.640 20 0 FHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423523004 943545496 /nfs/dbraw/zinc/54/54/96/943545496.db2.gz VETMHMGSLAOXIG-PMOQBDJRSA-N 3 0 351.538 3.967 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000423524278 943546514 /nfs/dbraw/zinc/54/65/14/943546514.db2.gz JDMUVDNRIOAVAM-IBGZPJMESA-N 2 0 367.537 3.648 20 0 FHADRP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000417368855 943550902 /nfs/dbraw/zinc/55/09/02/943550902.db2.gz OWSYZSDDZZTVJI-RTWAWAEBSA-N 2 0 371.569 3.688 20 0 FHADRP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000423537398 943551122 /nfs/dbraw/zinc/55/11/22/943551122.db2.gz CUTHGZAZLOTJBE-MMKMLUHNSA-N 2 0 355.913 3.997 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000423538104 943551138 /nfs/dbraw/zinc/55/11/38/943551138.db2.gz FHNDZMJTAUVDQV-OWIUFQIYSA-N 2 0 358.917 3.873 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423538025 943551167 /nfs/dbraw/zinc/55/11/67/943551167.db2.gz LVOFVCXVRUAQLU-YTFSRNRJSA-N 2 0 353.554 3.577 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000423541780 943551816 /nfs/dbraw/zinc/55/18/16/943551816.db2.gz AWLXVDDWBQPISP-MRXNPFEDSA-N 2 0 359.464 3.609 20 0 FHADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423546339 943554327 /nfs/dbraw/zinc/55/43/27/943554327.db2.gz CYVJVZOIYXOQQR-VGSWGCGISA-N 2 0 367.512 3.642 20 0 FHADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423569325 943559346 /nfs/dbraw/zinc/55/93/46/943559346.db2.gz WHLMAQKRYSWXLI-NSHDSACASA-N 2 0 362.367 3.850 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000423579957 943563160 /nfs/dbraw/zinc/56/31/60/943563160.db2.gz XGCGRNYIHVZIAA-KRWDZBQOSA-N 2 0 357.929 3.984 20 0 FHADRP [NH3+]C[C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)c1ccccc1 ZINC000435725688 943582222 /nfs/dbraw/zinc/58/22/22/943582222.db2.gz IGQIZULOLDULRH-HXUWFJFHSA-N 2 0 362.477 3.813 20 0 FHADRP C[C@@H]1C[C@@H](C[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414754955 943585158 /nfs/dbraw/zinc/58/51/58/943585158.db2.gz OHTQMKHJAFPOBG-WBVHZDCISA-N 2 0 370.368 3.542 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000435733718 943587395 /nfs/dbraw/zinc/58/73/95/943587395.db2.gz CRLWVQUXPDIKEB-RTWAWAEBSA-N 2 0 371.569 3.525 20 0 FHADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000390224072 943729628 /nfs/dbraw/zinc/72/96/28/943729628.db2.gz IPNTXTVXNGDUGF-UHFFFAOYSA-N 2 0 353.226 3.899 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549475057 943741413 /nfs/dbraw/zinc/74/14/13/943741413.db2.gz CEINWNYWAPYGCX-BPAFIMBUSA-N 2 0 369.475 3.703 20 0 FHADRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777385 943784635 /nfs/dbraw/zinc/78/46/35/943784635.db2.gz IGDBOFPNVOTSDB-HOTGVXAUSA-N 2 0 358.917 3.562 20 0 FHADRP Cc1c2cccc(Cl)c2sc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000516880739 943790017 /nfs/dbraw/zinc/79/00/17/943790017.db2.gz VLLPQVXWJGHYCA-UHFFFAOYSA-N 2 0 365.974 3.980 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424274075 943830330 /nfs/dbraw/zinc/83/03/30/943830330.db2.gz VDIKWQYJXVWJCH-NQBQLGQDSA-N 2 0 372.553 3.589 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)C[C@H]2C1 ZINC000424274077 943830641 /nfs/dbraw/zinc/83/06/41/943830641.db2.gz VDIKWQYJXVWJCH-QKIVABDASA-N 2 0 372.553 3.589 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000638151245 943852296 /nfs/dbraw/zinc/85/22/96/943852296.db2.gz BKQSACZUARSWFD-DHIUTWEWSA-N 2 0 355.570 3.671 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)C[C@H](C)O1 ZINC000424306233 943853058 /nfs/dbraw/zinc/85/30/58/943853058.db2.gz USOSHOLRBXGFFT-WSTZPKSXSA-N 2 0 373.566 3.906 20 0 FHADRP CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414906451 943855517 /nfs/dbraw/zinc/85/55/17/943855517.db2.gz PQXYXVKLQMPHOL-HKUYNNGSSA-N 2 0 369.513 3.694 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785580 943881057 /nfs/dbraw/zinc/88/10/57/943881057.db2.gz SVGGZFPHGMAOOV-WOJBJXKFSA-N 2 0 351.494 3.579 20 0 FHADRP [NH3+]CCC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000417807495 943887009 /nfs/dbraw/zinc/88/70/09/943887009.db2.gz KBPJJNUKDSQXIR-NRFANRHFSA-N 2 0 372.557 3.563 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424381770 943889804 /nfs/dbraw/zinc/88/98/04/943889804.db2.gz RDXRBBJKYMLBHD-JTQLQIEISA-N 2 0 366.674 3.552 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1)CC1CC1 ZINC000424424362 943900565 /nfs/dbraw/zinc/90/05/65/943900565.db2.gz HMZCTTYQTQBXRG-UHFFFAOYSA-N 2 0 372.557 3.820 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000424443024 943918148 /nfs/dbraw/zinc/91/81/48/943918148.db2.gz ZDDMOQRAYOHFHV-UHFFFAOYSA-N 2 0 358.530 3.574 20 0 FHADRP CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414908326 943919667 /nfs/dbraw/zinc/91/96/67/943919667.db2.gz QTOLQAHWNDYTHO-UHFFFAOYSA-N 2 0 352.404 3.575 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000424431718 943925307 /nfs/dbraw/zinc/92/53/07/943925307.db2.gz GJLYKFRNRXVKFS-ZWKOTPCHSA-N 2 0 358.530 3.572 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000517025020 943925527 /nfs/dbraw/zinc/92/55/27/943925527.db2.gz HQABNMVSPIKPCG-UHFFFAOYSA-N 2 0 361.436 3.535 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000424431717 943925811 /nfs/dbraw/zinc/92/58/11/943925811.db2.gz GJLYKFRNRXVKFS-ROUUACIJSA-N 2 0 358.530 3.572 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414792437 943946684 /nfs/dbraw/zinc/94/66/84/943946684.db2.gz CIEOKAPFJUAZCT-AAEUAGOBSA-N 2 0 363.246 3.658 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C(C)(C)n1cncn1 ZINC000517044845 943946988 /nfs/dbraw/zinc/94/69/88/943946988.db2.gz KESLRPYMJBEPJL-MSOLQXFVSA-N 2 0 355.530 3.566 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000414797904 943990630 /nfs/dbraw/zinc/99/06/30/943990630.db2.gz YYZUDYKMWBHTIS-YADHBBJMSA-N 2 0 354.469 3.821 20 0 FHADRP CCOc1cccc2cc([C@H](C)Nc3ccc(N4CC[NH2+]CC4)cn3)oc21 ZINC000517123113 944028092 /nfs/dbraw/zinc/02/80/92/944028092.db2.gz SCLRWHHWKRPISO-HNNXBMFYSA-N 2 0 366.465 3.809 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000500072828 944050087 /nfs/dbraw/zinc/05/00/87/944050087.db2.gz IKQCWKVIKPULAI-DEOSSOPVSA-N 2 0 369.597 3.773 20 0 FHADRP CCOc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000414808547 944071206 /nfs/dbraw/zinc/07/12/06/944071206.db2.gz KYVJHKYKMFQWMW-CYBMUJFWSA-N 2 0 350.409 3.996 20 0 FHADRP CC(C)[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1CCCCC1 ZINC000505126071 944073125 /nfs/dbraw/zinc/07/31/25/944073125.db2.gz YAESDCOSDDKAOM-CBNMVNINSA-N 2 0 363.590 3.656 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)ccn1 ZINC000437767523 944098503 /nfs/dbraw/zinc/09/85/03/944098503.db2.gz YMHPWXNEIWXQDW-IRLDBZIGSA-N 2 0 353.510 3.622 20 0 FHADRP Clc1cccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1Cl ZINC000425893694 944108488 /nfs/dbraw/zinc/10/84/88/944108488.db2.gz DTLGEFZORAPCON-UHFFFAOYSA-N 2 0 354.281 3.781 20 0 FHADRP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000500116944 944123191 /nfs/dbraw/zinc/12/31/91/944123191.db2.gz PIAURPGFSADTIQ-DHIUTWEWSA-N 2 0 357.586 3.979 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000500133547 944150971 /nfs/dbraw/zinc/15/09/71/944150971.db2.gz QEVIWZZOMODUMZ-MOPGFXCFSA-N 2 0 374.573 3.591 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000517258269 944153107 /nfs/dbraw/zinc/15/31/07/944153107.db2.gz ZDALLIADHGBJQF-SFTDATJTSA-N 2 0 353.510 3.838 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436286029 944164726 /nfs/dbraw/zinc/16/47/26/944164726.db2.gz QKYIARMJQGRTMG-HJNYFJLDSA-N 2 0 365.606 3.510 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)c1 ZINC000414916416 944190765 /nfs/dbraw/zinc/19/07/65/944190765.db2.gz OJTLKAOIGMIXMT-QGZVFWFLSA-N 2 0 356.466 3.728 20 0 FHADRP O=C(NCC[NH+]1CCCCCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515800892 944233079 /nfs/dbraw/zinc/23/30/79/944233079.db2.gz PGJKOGJQCYBJNK-UHFFFAOYSA-N 2 0 372.557 3.713 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414978566 944287953 /nfs/dbraw/zinc/28/79/53/944287953.db2.gz TUPSYBOIFYUTJC-FQEVSTJZSA-N 2 0 354.542 3.851 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCc3cc(N)ccc32)CC1 ZINC000414921619 944316303 /nfs/dbraw/zinc/31/63/03/944316303.db2.gz DYBHPOARUJLFFG-QFIPXVFZSA-N 2 0 364.537 3.578 20 0 FHADRP CCOC(=O)C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000397980433 944332673 /nfs/dbraw/zinc/33/26/73/944332673.db2.gz LZSFHURKTQBRGW-WYNBGMTASA-N 2 0 358.526 3.609 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000111661249 944384258 /nfs/dbraw/zinc/38/42/58/944384258.db2.gz KXFGVFQQXODXEC-QFIPXVFZSA-N 2 0 371.569 3.622 20 0 FHADRP c1ccc(C[NH+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167963922 944431371 /nfs/dbraw/zinc/43/13/71/944431371.db2.gz IHHLZBOFMCJBHD-KWDCZQRMSA-N 2 0 367.581 3.894 20 0 FHADRP O=C1CCCCN1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167978528 944443793 /nfs/dbraw/zinc/44/37/93/944443793.db2.gz OKAIIDCUMMQWID-XDNSSPFJSA-N 2 0 367.537 3.699 20 0 FHADRP Cn1cncc1CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838936 944445755 /nfs/dbraw/zinc/44/57/55/944445755.db2.gz VTULVWJNMUXQOV-JOCHJYFZSA-N 2 0 366.553 3.585 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000418362697 944467477 /nfs/dbraw/zinc/46/74/77/944467477.db2.gz VALILDOKILBUMG-OAQYLSRUSA-N 2 0 374.573 3.573 20 0 FHADRP Cc1ccc(C2(O)CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167981793 944490780 /nfs/dbraw/zinc/49/07/80/944490780.db2.gz KGTBQOYQZXTNFD-CBQGHPETSA-N 2 0 354.538 3.684 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1 ZINC000516118024 944501542 /nfs/dbraw/zinc/50/15/42/944501542.db2.gz QSBJXNOJTQTLAH-HOTGVXAUSA-N 2 0 351.922 3.685 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@]1(O)CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000438332474 944502389 /nfs/dbraw/zinc/50/23/89/944502389.db2.gz RADZPMMXOXNPOY-QHCPKHFHSA-N 2 0 373.585 3.638 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000429801268 944520829 /nfs/dbraw/zinc/52/08/29/944520829.db2.gz GWXCYLNVRHPTHW-WMLDXEAASA-N 2 0 360.420 3.626 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC000414994961 944543981 /nfs/dbraw/zinc/54/39/81/944543981.db2.gz FGPOKNCCRPIVGT-AZUAARDMSA-N 2 0 354.494 3.881 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000414996101 944544574 /nfs/dbraw/zinc/54/45/74/944544574.db2.gz OEBSBBIRSDTJIV-ZYHUDNBSSA-N 2 0 363.246 3.658 20 0 FHADRP CC1CC[NH+](C[C@@H]2CCCN([C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201029 944572391 /nfs/dbraw/zinc/57/23/91/944572391.db2.gz PYXNWDOWVDYTKX-GOTSBHOMSA-N 2 0 355.570 3.705 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219330 944582296 /nfs/dbraw/zinc/58/22/96/944582296.db2.gz ZZQGZPNPUOSFCE-WTIAFYNJSA-N 2 0 374.569 3.591 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CC)OCCc3ccccc32)[C@H](C)C1 ZINC000516219328 944582424 /nfs/dbraw/zinc/58/24/24/944582424.db2.gz ZZQGZPNPUOSFCE-OIBXWCBGSA-N 2 0 374.569 3.591 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000414997494 944583447 /nfs/dbraw/zinc/58/34/47/944583447.db2.gz HJTKLNDJBAOCJL-YLJYHZDGSA-N 2 0 361.493 3.541 20 0 FHADRP Fc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550263253 944598631 /nfs/dbraw/zinc/59/86/31/944598631.db2.gz MFNWUCOSDBJWMP-NRFANRHFSA-N 2 0 368.496 3.844 20 0 FHADRP CCOC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCC1 ZINC000550270229 944649599 /nfs/dbraw/zinc/64/95/99/944649599.db2.gz JXZJSOVWNINRLJ-UHFFFAOYSA-N 2 0 359.558 3.656 20 0 FHADRP CC[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470756 944649656 /nfs/dbraw/zinc/64/96/56/944649656.db2.gz DQYKDPDRTLISGP-FGZHOGPDSA-N 2 0 360.542 3.688 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000418488459 944694359 /nfs/dbraw/zinc/69/43/59/944694359.db2.gz KPSLWOXWFIPPKL-GOSISDBHSA-N 2 0 372.557 3.504 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418490571 944705979 /nfs/dbraw/zinc/70/59/79/944705979.db2.gz NGPBENZSWYXKEN-GOSISDBHSA-N 2 0 374.573 3.750 20 0 FHADRP CCC(CC)(CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000426416092 944729185 /nfs/dbraw/zinc/72/91/85/944729185.db2.gz GNYMUCUHEXHREU-FXAWDEMLSA-N 2 0 357.542 3.639 20 0 FHADRP CSC1(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC[NH+](C)CC1 ZINC000516354537 944762663 /nfs/dbraw/zinc/76/26/63/944762663.db2.gz RIOXSZSGEOKHIO-MRXNPFEDSA-N 2 0 358.555 3.659 20 0 FHADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438549751 944776248 /nfs/dbraw/zinc/77/62/48/944776248.db2.gz FUDOFMAPANZCKW-FQEVSTJZSA-N 2 0 373.566 3.581 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572764 944789183 /nfs/dbraw/zinc/78/91/83/944789183.db2.gz GKYGZVWRVWOCHG-RTBURBONSA-N 2 0 363.571 3.654 20 0 FHADRP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516386713 944804080 /nfs/dbraw/zinc/80/40/80/944804080.db2.gz IPTLHXWMKNYXBW-JOCHJYFZSA-N 2 0 371.569 3.527 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426445028 944824539 /nfs/dbraw/zinc/82/45/39/944824539.db2.gz KUGRDMFTRVIQLO-UXHICEINSA-N 2 0 363.590 3.612 20 0 FHADRP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]c3cc(F)ccc23)cc1 ZINC000500419510 944845459 /nfs/dbraw/zinc/84/54/59/944845459.db2.gz KAOCFAVAFOFIHL-UHFFFAOYSA-N 2 0 353.441 3.969 20 0 FHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414936826 944852463 /nfs/dbraw/zinc/85/24/63/944852463.db2.gz BUVUGVJHGBMOPL-HRAATJIYSA-N 2 0 364.468 3.766 20 0 FHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414939803 944888153 /nfs/dbraw/zinc/88/81/53/944888153.db2.gz JTOLIOKKUWZQTN-QFBILLFUSA-N 2 0 366.534 3.748 20 0 FHADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665302 944893044 /nfs/dbraw/zinc/89/30/44/944893044.db2.gz JCDYWOYCSWMOAO-NRFANRHFSA-N 2 0 371.569 3.669 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884746 944903903 /nfs/dbraw/zinc/90/39/03/944903903.db2.gz MNICIHSKXDDHMB-QFBILLFUSA-N 2 0 365.949 3.571 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cc2)c1 ZINC000414941460 944916199 /nfs/dbraw/zinc/91/61/99/944916199.db2.gz CQOXIQIPUGFNNE-NVXWUHKLSA-N 2 0 356.466 3.726 20 0 FHADRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000426486909 944946456 /nfs/dbraw/zinc/94/64/56/944946456.db2.gz NTOSQEBBUMUJJE-HXUWFJFHSA-N 2 0 363.590 3.613 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414945438 944973499 /nfs/dbraw/zinc/97/34/99/944973499.db2.gz IHNKWQHRXFSYML-UZLBHIALSA-N 2 0 364.468 3.909 20 0 FHADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000467389030 944974352 /nfs/dbraw/zinc/97/43/52/944974352.db2.gz ONSMXOPFQKQLBC-HXUWFJFHSA-N 2 0 355.457 3.723 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000518085491 945006839 /nfs/dbraw/zinc/00/68/39/945006839.db2.gz MOSDIWHTJAYANQ-KDURUIRLSA-N 2 0 374.573 3.543 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415004983 945008220 /nfs/dbraw/zinc/00/82/20/945008220.db2.gz OMSQXMPEMNNFBZ-SWUCNREESA-N 2 0 367.512 3.602 20 0 FHADRP COc1cncc(/C=C/CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660680631 945380716 /nfs/dbraw/zinc/38/07/16/945380716.db2.gz UZVSTRCVGFWUBK-WEVVVXLNSA-N 2 0 351.494 3.748 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000415011592 945474156 /nfs/dbraw/zinc/47/41/56/945474156.db2.gz WGXHSYQMKQPGSA-WBMJQRKESA-N 2 0 352.404 3.703 20 0 FHADRP c1nc(C2CCC2)sc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507712514 945484468 /nfs/dbraw/zinc/48/44/68/945484468.db2.gz CXMNZUFXWKJLIB-UHFFFAOYSA-N 2 0 363.571 3.735 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1cccs1 ZINC000415050868 945502663 /nfs/dbraw/zinc/50/26/63/945502663.db2.gz DHVWGNIAINBKPS-FOIQADDNSA-N 2 0 360.523 3.752 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000415050335 945502916 /nfs/dbraw/zinc/50/29/16/945502916.db2.gz YMSFZZPGYHDVQB-MBNYWOFBSA-N 2 0 370.337 3.776 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415051686 945502931 /nfs/dbraw/zinc/50/29/31/945502931.db2.gz MKWRDYLPCDGLGT-CTNGQTDRSA-N 2 0 351.494 3.721 20 0 FHADRP CC[N@@H+](Cc1cc2cnccc2o1)CC1CCN(c2ccccn2)CC1 ZINC000651643683 945507906 /nfs/dbraw/zinc/50/79/06/945507906.db2.gz LKFJXSKJIGBMFD-UHFFFAOYSA-N 2 0 350.466 3.961 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000044291974 945586360 /nfs/dbraw/zinc/58/63/60/945586360.db2.gz GECUPVRPUSSXHC-OAQYLSRUSA-N 2 0 366.509 3.707 20 0 FHADRP C[N@H+](C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417453 945596816 /nfs/dbraw/zinc/59/68/16/945596816.db2.gz NQNBVMXWURNLRL-PGGWPXBNSA-N 2 0 365.562 3.581 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000514095307 945663223 /nfs/dbraw/zinc/66/32/23/945663223.db2.gz QPLDGEJZTUVFOJ-YJSIEXFISA-N 3 0 355.570 3.881 20 0 FHADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110792335 945758926 /nfs/dbraw/zinc/75/89/26/945758926.db2.gz UGESDCQTGMBRAL-IBGZPJMESA-N 2 0 371.569 3.668 20 0 FHADRP COc1ccc([C@@H](C)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000507728120 945766768 /nfs/dbraw/zinc/76/67/68/945766768.db2.gz YDYIILUJQIOTPX-IBGZPJMESA-N 2 0 360.542 3.623 20 0 FHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000281595366 945774580 /nfs/dbraw/zinc/77/45/80/945774580.db2.gz LWYPNZGYAVWVAG-WBVHZDCISA-N 2 0 370.459 3.727 20 0 FHADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000281595363 945774832 /nfs/dbraw/zinc/77/48/32/945774832.db2.gz LWYPNZGYAVWVAG-NVXWUHKLSA-N 2 0 370.459 3.727 20 0 FHADRP O=C(CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)OCc1ccccc1 ZINC001167970403 945777600 /nfs/dbraw/zinc/77/76/00/945777600.db2.gz JOHOXNLSGYTBAE-FRIKZZABSA-N 2 0 370.537 3.895 20 0 FHADRP C[C@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444090325 945840161 /nfs/dbraw/zinc/84/01/61/945840161.db2.gz RHFOGMSVDXAWIB-AIYVTKCESA-N 2 0 371.569 3.759 20 0 FHADRP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1C(F)(F)F ZINC001167972900 945914846 /nfs/dbraw/zinc/91/48/46/945914846.db2.gz DONWEKIJHSTDJT-ALOPSCKCSA-N 2 0 353.432 3.981 20 0 FHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647131 945941078 /nfs/dbraw/zinc/94/10/78/945941078.db2.gz JICGKRFQKRRNGG-IRLDBZIGSA-N 2 0 358.574 3.538 20 0 FHADRP FC(F)(F)c1ccc2c(NCCCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301781820 945962733 /nfs/dbraw/zinc/96/27/33/945962733.db2.gz JELZOBJACVYQGC-UHFFFAOYSA-N 2 0 353.388 3.778 20 0 FHADRP Cc1[nH+]c2ccccc2c(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1C ZINC000302110411 946124713 /nfs/dbraw/zinc/12/47/13/946124713.db2.gz ZGYSXSRRVXMEBU-UHFFFAOYSA-N 2 0 361.493 3.611 20 0 FHADRP CC(=O)Nc1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000103142873 946249898 /nfs/dbraw/zinc/24/98/98/946249898.db2.gz YUKHQLKJCABGQP-UHFFFAOYSA-N 2 0 365.521 3.989 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000520290340 946365730 /nfs/dbraw/zinc/36/57/30/946365730.db2.gz GNPBNBJYXWXTJH-AZUAARDMSA-N 2 0 357.542 3.641 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000302904803 946379136 /nfs/dbraw/zinc/37/91/36/946379136.db2.gz VHYACCYSVRVONX-LJQANCHMSA-N 2 0 365.452 3.943 20 0 FHADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000164458686 946418643 /nfs/dbraw/zinc/41/86/43/946418643.db2.gz RGLWFHUJGDSIMV-GOSISDBHSA-N 2 0 370.541 3.914 20 0 FHADRP CC(C)C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000475129136 946434866 /nfs/dbraw/zinc/43/48/66/946434866.db2.gz LMULYIZOWSVLGC-MOPGFXCFSA-N 2 0 373.566 3.844 20 0 FHADRP CC(C)O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000428352959 946457700 /nfs/dbraw/zinc/45/77/00/946457700.db2.gz SPAWNQXOBIINTO-QHCPKHFHSA-N 2 0 374.569 3.977 20 0 FHADRP C[C@@H]1CCC[C@@](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)([NH+](C)C)C1 ZINC000520368264 946467291 /nfs/dbraw/zinc/46/72/91/946467291.db2.gz AEXOWNIUQIEFAC-XMSQKQJNSA-N 2 0 357.542 3.523 20 0 FHADRP Cc1ccc(-c2ccc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)s2)cc1 ZINC000441351321 946467307 /nfs/dbraw/zinc/46/73/07/946467307.db2.gz SAHQAKSBENUSHX-UHFFFAOYSA-N 2 0 357.567 3.839 20 0 FHADRP CC[N@H+](CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237593 946516739 /nfs/dbraw/zinc/51/67/39/946516739.db2.gz UPIGDBUZTUSFOJ-OFNKIYASSA-N 2 0 372.601 3.926 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192683292 946608438 /nfs/dbraw/zinc/60/84/38/946608438.db2.gz IUKJBBBEAIIMAW-NRFANRHFSA-N 2 0 353.510 3.584 20 0 FHADRP COC(=O)CC[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059785 946746360 /nfs/dbraw/zinc/74/63/60/946746360.db2.gz HDZOZIKXXODVNW-YHELAOLJSA-N 2 0 358.526 3.703 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccnn1C ZINC000192849284 946783914 /nfs/dbraw/zinc/78/39/14/946783914.db2.gz FWTGXOBZTFKNMI-IBGZPJMESA-N 2 0 354.542 3.806 20 0 FHADRP CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000119451250 946784481 /nfs/dbraw/zinc/78/44/81/946784481.db2.gz VQGSBGFXIONBLU-OAQYLSRUSA-N 2 0 351.494 3.947 20 0 FHADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC2 ZINC000655721632 946840111 /nfs/dbraw/zinc/84/01/11/946840111.db2.gz REDOKWNEYJUUPS-HXUWFJFHSA-N 2 0 371.569 3.507 20 0 FHADRP c1ccc(-c2noc(C3CC[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC3)n2)cc1 ZINC000652337749 946844403 /nfs/dbraw/zinc/84/44/03/946844403.db2.gz JASWXOZIUQNBCH-UHFFFAOYSA-N 2 0 374.488 3.762 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3c(Cl)cccc3Cl)C2)C1 ZINC000652345775 946871600 /nfs/dbraw/zinc/87/16/00/946871600.db2.gz LQYLOBZQOBNWJA-CKEIUWERSA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164609522 946890509 /nfs/dbraw/zinc/89/05/09/946890509.db2.gz RZVDFONNKULGAC-MRXNPFEDSA-N 2 0 366.937 3.698 20 0 FHADRP COC[C@H](C)[N@H+](Cc1cccc(OC)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995089 946893056 /nfs/dbraw/zinc/89/30/56/946893056.db2.gz VQLMGYDMJMYHII-HNYYDBCASA-N 2 0 372.553 3.938 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348622 946894001 /nfs/dbraw/zinc/89/40/01/946894001.db2.gz KTBCNUCCBMRLTJ-BHIYHBOVSA-N 2 0 370.459 3.856 20 0 FHADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350355 946895211 /nfs/dbraw/zinc/89/52/11/946895211.db2.gz UMPZDEBXEFFIRW-ABSDTBQOSA-N 2 0 366.933 3.846 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000652355499 946916198 /nfs/dbraw/zinc/91/61/98/946916198.db2.gz ZKNDNEVGIZOJGZ-UTKZUKDTSA-N 2 0 351.494 3.888 20 0 FHADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000909603644 946928054 /nfs/dbraw/zinc/92/80/54/946928054.db2.gz PNHWKKVVYLEGBV-HXUWFJFHSA-N 2 0 351.494 3.517 20 0 FHADRP CCCc1noc([C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167995286 946929996 /nfs/dbraw/zinc/92/99/96/946929996.db2.gz ZIIVKVWHJQJUEC-HTUJPFKRSA-N 2 0 358.530 3.607 20 0 FHADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCC[NH+]4CCCCC4)CC[C@@H]32)cc1 ZINC000444601909 947028004 /nfs/dbraw/zinc/02/80/04/947028004.db2.gz GENVYLGOAHLVSB-PKTZIBPZSA-N 2 0 355.570 3.849 20 0 FHADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCC[NH+]4CCCCC4)CC[C@H]32)cc1 ZINC000444601905 947028593 /nfs/dbraw/zinc/02/85/93/947028593.db2.gz GENVYLGOAHLVSB-DHIUTWEWSA-N 2 0 355.570 3.849 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccsc4)cc3)C2)CC1 ZINC000444609025 947033610 /nfs/dbraw/zinc/03/36/10/947033610.db2.gz MOJDTTOCHGOHTD-NRFANRHFSA-N 2 0 355.551 3.627 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000511942361 947072961 /nfs/dbraw/zinc/07/29/61/947072961.db2.gz YZSLNWQKDFROGT-UHFFFAOYSA-N 2 0 366.431 3.713 20 0 FHADRP c1ccc(C[N@H+]2CC[C@@H](CNC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929850 947108452 /nfs/dbraw/zinc/10/84/52/947108452.db2.gz NHKBFHBOFOSMBV-QHCPKHFHSA-N 2 0 363.549 3.763 20 0 FHADRP CC[NH+]1CCN(c2ccc(CNc3cc(C)[nH+]c4ccccc34)cn2)CC1 ZINC000301094124 947174518 /nfs/dbraw/zinc/17/45/18/947174518.db2.gz LZLLCSNPIWWBEI-UHFFFAOYSA-N 2 0 361.493 3.692 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825417295 947184356 /nfs/dbraw/zinc/18/43/56/947184356.db2.gz PLXPCNQBETXLAU-MRXNPFEDSA-N 2 0 364.497 3.559 20 0 FHADRP c1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccncc2)nn1-c1ccccc1 ZINC000262092215 947527194 /nfs/dbraw/zinc/52/71/94/947527194.db2.gz UXBIHMKDAODYLB-UHFFFAOYSA-N 2 0 373.504 3.510 20 0 FHADRP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460365 947609073 /nfs/dbraw/zinc/60/90/73/947609073.db2.gz CWYRIAKPBHMOJL-STZQEDGTSA-N 2 0 369.553 3.552 20 0 FHADRP CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000188462494 947615103 /nfs/dbraw/zinc/61/51/03/947615103.db2.gz MBLMSBONFSXZKK-UHFFFAOYSA-N 2 0 366.594 3.593 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189184874 947658089 /nfs/dbraw/zinc/65/80/89/947658089.db2.gz ABPJIKQRBALOCZ-INIZCTEOSA-N 2 0 364.839 3.685 20 0 FHADRP COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000662249500 947672574 /nfs/dbraw/zinc/67/25/74/947672574.db2.gz VTZLTTOAIUDADL-HXUWFJFHSA-N 2 0 352.478 3.687 20 0 FHADRP Cc1ccc2cc(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)ccc2n1 ZINC000189265251 947683202 /nfs/dbraw/zinc/68/32/02/947683202.db2.gz JUHXPUKHFWHZPQ-UHFFFAOYSA-N 2 0 374.532 3.580 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662279581 947700899 /nfs/dbraw/zinc/70/08/99/947700899.db2.gz AFVMKLASGOISRF-QZTJIDSGSA-N 2 0 354.947 3.650 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662290903 947712028 /nfs/dbraw/zinc/71/20/28/947712028.db2.gz MTQHIFILECUPFK-ICSRJNTNSA-N 2 0 357.542 3.650 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000662290905 947712499 /nfs/dbraw/zinc/71/24/99/947712499.db2.gz MTQHIFILECUPFK-UYAOXDASSA-N 2 0 357.542 3.650 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1F ZINC000662291043 947712512 /nfs/dbraw/zinc/71/25/12/947712512.db2.gz NNLIUIMKXIZSNI-YJBOKZPZSA-N 2 0 372.488 3.957 20 0 FHADRP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297545 947719434 /nfs/dbraw/zinc/71/94/34/947719434.db2.gz RFPDRGALQXDTSU-ZFWWWQNUSA-N 2 0 367.896 3.518 20 0 FHADRP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297543 947719766 /nfs/dbraw/zinc/71/97/66/947719766.db2.gz RFPDRGALQXDTSU-UKRRQHHQSA-N 2 0 367.896 3.518 20 0 FHADRP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)c1 ZINC000662316291 947745320 /nfs/dbraw/zinc/74/53/20/947745320.db2.gz LLNCRPWEGSTTFI-IEBWSBKVSA-N 2 0 372.513 3.605 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313580 947746599 /nfs/dbraw/zinc/74/65/99/947746599.db2.gz IZAYSSNBWUWXPT-RHSMWYFYSA-N 2 0 367.921 3.517 20 0 FHADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328549 947760149 /nfs/dbraw/zinc/76/01/49/947760149.db2.gz SMNAQRHBJWQQBA-HTAPYJJXSA-N 2 0 374.573 3.651 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662389705 947775366 /nfs/dbraw/zinc/77/53/66/947775366.db2.gz ZOXCNTUOWHODQF-QGZVFWFLSA-N 2 0 363.505 3.594 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662386937 947777426 /nfs/dbraw/zinc/77/74/26/947777426.db2.gz PUAWIUFMBGULQK-UEXGIBASSA-N 2 0 371.569 3.553 20 0 FHADRP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345292 947812015 /nfs/dbraw/zinc/81/20/15/947812015.db2.gz HVKAUAQJSDDXLX-MRXNPFEDSA-N 2 0 358.917 3.942 20 0 FHADRP Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663362980 947852672 /nfs/dbraw/zinc/85/26/72/947852672.db2.gz DFGIHXIGSQGZCI-NRFANRHFSA-N 2 0 352.526 3.915 20 0 FHADRP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503452 947873634 /nfs/dbraw/zinc/87/36/34/947873634.db2.gz UISGBFOBUSEULT-PXNSSMCTSA-N 2 0 363.505 3.587 20 0 FHADRP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000500442138 947878848 /nfs/dbraw/zinc/87/88/48/947878848.db2.gz SLARCJKRLXXKQQ-QFIPXVFZSA-N 2 0 368.521 3.504 20 0 FHADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467514 948053883 /nfs/dbraw/zinc/05/38/83/948053883.db2.gz GLIYCMXSZHUIEX-PKOBYXMFSA-N 2 0 357.542 3.678 20 0 FHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469867 948064180 /nfs/dbraw/zinc/06/41/80/948064180.db2.gz RGKCXVAMOGKZIR-YLJYHZDGSA-N 2 0 352.526 3.953 20 0 FHADRP C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000663474119 948070644 /nfs/dbraw/zinc/07/06/44/948070644.db2.gz MHBKCBGCOFHMOW-CQSZACIVSA-N 2 0 367.415 3.892 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000166009566 948085893 /nfs/dbraw/zinc/08/58/93/948085893.db2.gz PWBDDXKMTDWOAI-WMLDXEAASA-N 2 0 362.543 3.521 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000473202186 948088788 /nfs/dbraw/zinc/08/87/88/948088788.db2.gz QDVGOUROZSCHEC-SFTDATJTSA-N 2 0 359.558 3.524 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001167822894 948092826 /nfs/dbraw/zinc/09/28/26/948092826.db2.gz BAWSSJXMBBTKDM-GOSISDBHSA-N 2 0 357.542 3.873 20 0 FHADRP CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167825528 948118823 /nfs/dbraw/zinc/11/88/23/948118823.db2.gz JVFDTGGPRXZHCP-HNNXBMFYSA-N 2 0 352.544 3.793 20 0 FHADRP CCOC[C@H]1COCCC12CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825385 948121667 /nfs/dbraw/zinc/12/16/67/948121667.db2.gz JZLSROPKMFJKJP-PMACEKPBSA-N 2 0 354.579 3.652 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001167825480 948122508 /nfs/dbraw/zinc/12/25/08/948122508.db2.gz JMHHLAWWUZMAHM-CYBMUJFWSA-N 2 0 362.440 3.778 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001167826526 948131644 /nfs/dbraw/zinc/13/16/44/948131644.db2.gz PPYVPANOPWQJPO-SFHVURJKSA-N 2 0 358.526 3.997 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N2c3ccccc3CC2=O)CC1 ZINC001167826999 948134924 /nfs/dbraw/zinc/13/49/24/948134924.db2.gz SUKGWKXNYGMVLV-SFHVURJKSA-N 2 0 357.542 3.551 20 0 FHADRP CC[C@H]1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CCN1C(=O)OC(C)(C)C ZINC001167827289 948139362 /nfs/dbraw/zinc/13/93/62/948139362.db2.gz VQQYSPOOPSQDEF-ROUUACIJSA-N 2 0 355.567 3.828 20 0 FHADRP COCCSc1ccc([C@@H](C)NCc2ncc(CN(C)C)s2)cc1 ZINC000512008710 948172315 /nfs/dbraw/zinc/17/23/15/948172315.db2.gz NIXUYAQYXABNKW-CQSZACIVSA-N 2 0 365.568 3.794 20 0 FHADRP CC[C@H](C[NH2+]Cc1ncc(CN(C)C)s1)Oc1cccc(Cl)c1 ZINC000512010884 948182609 /nfs/dbraw/zinc/18/26/09/948182609.db2.gz YAVHEHTZOCRGLI-CQSZACIVSA-N 2 0 353.919 3.805 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515764 948218372 /nfs/dbraw/zinc/21/83/72/948218372.db2.gz DSCIQZMNIWYOOH-OALUTQOASA-N 2 0 365.587 3.758 20 0 FHADRP Cc1cccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)n1 ZINC001168002133 948220828 /nfs/dbraw/zinc/22/08/28/948220828.db2.gz NEJXKJUGCLQSLW-YOFSQIOKSA-N 2 0 355.526 3.639 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167833945 948242012 /nfs/dbraw/zinc/24/20/12/948242012.db2.gz GGMGZINNHDLRPV-FGTMMUONSA-N 2 0 355.567 3.732 20 0 FHADRP c1ccc(CN2C[C@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002776 948271716 /nfs/dbraw/zinc/27/17/16/948271716.db2.gz XXHMXAQUOJOFHU-HJQSFINYSA-N 2 0 365.565 3.598 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001167835696 948298004 /nfs/dbraw/zinc/29/80/04/948298004.db2.gz SXEVVAGPZNTFSM-PZJWPPBQSA-N 2 0 360.542 3.952 20 0 FHADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCCS2 ZINC000432419203 948375117 /nfs/dbraw/zinc/37/51/17/948375117.db2.gz ZWEPRAYLXHUVBH-QFBILLFUSA-N 2 0 364.555 3.713 20 0 FHADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000432422491 948383484 /nfs/dbraw/zinc/38/34/84/948383484.db2.gz FLMBBENYGSEZRO-KBPBESRZSA-N 2 0 373.310 3.740 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000473212612 948403226 /nfs/dbraw/zinc/40/32/26/948403226.db2.gz HSQHWSKFDMWLTP-ICSRJNTNSA-N 2 0 351.579 3.656 20 0 FHADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000512094203 948405314 /nfs/dbraw/zinc/40/53/14/948405314.db2.gz HOWBLWNHABKCNM-JTJHWIPRSA-N 2 0 357.542 3.509 20 0 FHADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512096596 948408279 /nfs/dbraw/zinc/40/82/79/948408279.db2.gz ZKKAQNYUTPIIBH-HSALFYBXSA-N 2 0 371.569 3.940 20 0 FHADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372422 948424839 /nfs/dbraw/zinc/42/48/39/948424839.db2.gz MTSXIWLSHLGSGN-HOCLYGCPSA-N 2 0 358.917 3.969 20 0 FHADRP C[C@H]1CN(CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441095 948434259 /nfs/dbraw/zinc/43/42/59/948434259.db2.gz JONUQWJOUWUXER-KSSFIOAISA-N 2 0 372.431 3.663 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000512179067 948678189 /nfs/dbraw/zinc/67/81/89/948678189.db2.gz LIABFROILPNIHS-HOTGVXAUSA-N 2 0 366.933 3.670 20 0 FHADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000067457282 221254840 /nfs/dbraw/zinc/25/48/40/221254840.db2.gz JMJXBXATJUYPHM-HNNXBMFYSA-N 2 0 372.431 3.690 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000602019031 567901540 /nfs/dbraw/zinc/90/15/40/567901540.db2.gz DNPKYRFGSWBTBJ-YADHBBJMSA-N 2 0 364.489 3.604 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000521410966 567923951 /nfs/dbraw/zinc/92/39/51/567923951.db2.gz MRZNPCAXVWRZRM-MDMXATFFSA-N 2 0 372.557 3.549 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000521410967 567924211 /nfs/dbraw/zinc/92/42/11/567924211.db2.gz MRZNPCAXVWRZRM-RPCJCACASA-N 2 0 372.557 3.549 20 0 FHADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000521431860 568048514 /nfs/dbraw/zinc/04/85/14/568048514.db2.gz ZUZCEEZVZZSGJB-HNNXBMFYSA-N 2 0 351.922 3.721 20 0 FHADRP CC[NH+](CC)[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303238639 568261927 /nfs/dbraw/zinc/26/19/27/568261927.db2.gz HXQAFSDDONQOKR-RZUBCFFCSA-N 2 0 373.585 3.944 20 0 FHADRP CCCOc1c(Cl)cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000563135509 568267913 /nfs/dbraw/zinc/26/79/13/568267913.db2.gz LVVVSNBINSANDF-JKSUJKDBSA-N 2 0 352.906 3.569 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000604384449 568287811 /nfs/dbraw/zinc/28/78/11/568287811.db2.gz PKLHRJMELYLNFW-NRFANRHFSA-N 2 0 357.542 3.626 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)c1 ZINC000056184874 568583344 /nfs/dbraw/zinc/58/33/44/568583344.db2.gz DMMZSZGNFSAQKX-INIZCTEOSA-N 2 0 357.473 3.784 20 0 FHADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000736268263 599319598 /nfs/dbraw/zinc/31/95/98/599319598.db2.gz RSNXEZLBQICJBR-SQNIBIBYSA-N 2 0 368.529 3.514 20 0 FHADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584709 609141278 /nfs/dbraw/zinc/14/12/78/609141278.db2.gz FIOQMUIAZFRAES-MRXNPFEDSA-N 2 0 374.508 3.703 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1 ZINC001164417972 718893421 /nfs/dbraw/zinc/89/34/21/718893421.db2.gz MACMJXJFRSENDU-RTWAWAEBSA-N 2 0 356.558 3.987 20 0 FHADRP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027674 721800873 /nfs/dbraw/zinc/80/08/73/721800873.db2.gz XGACAQNEJTUVTF-CEWLAPEOSA-N 2 0 350.510 3.830 20 0 FHADRP CN(c1cc(OC2CC[NH+](C)CC2)cc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC001165048137 721986455 /nfs/dbraw/zinc/98/64/55/721986455.db2.gz JVFSISJMKUHWKH-UHFFFAOYSA-N 2 0 355.526 3.960 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CN1Cc1ccccc1 ZINC000583051163 937080249 /nfs/dbraw/zinc/08/02/49/937080249.db2.gz CIRAEOPLXKDZIB-CVDCTZTESA-N 2 0 360.505 3.684 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000458381935 937113933 /nfs/dbraw/zinc/11/39/33/937113933.db2.gz XFBRYLPLIOLFKY-KRWDZBQOSA-N 2 0 362.562 3.535 20 0 FHADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000579774970 927379190 /nfs/dbraw/zinc/37/91/90/927379190.db2.gz LEOPTQYYVBNKHN-IBGZPJMESA-N 2 0 374.573 3.591 20 0 FHADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000123587711 937161809 /nfs/dbraw/zinc/16/18/09/937161809.db2.gz SGFFLJDBTPDVSZ-INIZCTEOSA-N 2 0 353.466 3.556 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000610212835 928131007 /nfs/dbraw/zinc/13/10/07/928131007.db2.gz JZRMCHNFCYKMMC-UHFFFAOYSA-N 2 0 358.482 3.773 20 0 FHADRP CCN1CC[C@@H](NCCC[NH+](CC)CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000583207469 937238201 /nfs/dbraw/zinc/23/82/01/937238201.db2.gz QZXDDAMEYCQERC-MJGOQNOKSA-N 2 0 357.464 3.561 20 0 FHADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000683228115 928373484 /nfs/dbraw/zinc/37/34/84/928373484.db2.gz UPKHPAPXDCJYGH-QFIPXVFZSA-N 2 0 369.528 3.725 20 0 FHADRP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000157682687 928431295 /nfs/dbraw/zinc/43/12/95/928431295.db2.gz PAPFVHYAAMTGRJ-JPYJTQIMSA-N 2 0 369.553 3.511 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1Cl ZINC000324170471 928458356 /nfs/dbraw/zinc/45/83/56/928458356.db2.gz FGJBNJGFXOAVHK-CZUORRHYSA-N 2 0 370.324 3.786 20 0 FHADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000157700970 928516127 /nfs/dbraw/zinc/51/61/27/928516127.db2.gz KKEJNLRSZMETEO-OALUTQOASA-N 2 0 363.977 3.763 20 0 FHADRP CN(CC[N@H+](C)CCCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000126450689 937277028 /nfs/dbraw/zinc/27/70/28/937277028.db2.gz BVMAZPIWMPNWES-UHFFFAOYSA-N 2 0 371.491 3.596 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000154498707 928864577 /nfs/dbraw/zinc/86/45/77/928864577.db2.gz UZFVNINZBWGJMS-MRXNPFEDSA-N 2 0 357.464 3.774 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000154543818 928917916 /nfs/dbraw/zinc/91/79/16/928917916.db2.gz NIPGBDLACQNJIP-INIZCTEOSA-N 2 0 373.463 3.654 20 0 FHADRP C[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000510131290 928919944 /nfs/dbraw/zinc/91/99/44/928919944.db2.gz QTRBPGKSMKEAJP-RZUBCFFCSA-N 2 0 371.569 3.668 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000037105912 928997090 /nfs/dbraw/zinc/99/70/90/928997090.db2.gz DEOCDFNZISDNBQ-PRTUASRFSA-N 2 0 353.304 3.734 20 0 FHADRP c1ccc(C[NH+]2CC3(C2)CC[NH+](CCc2ccc4c(c2)CCO4)CC3)cc1 ZINC001209148700 929348452 /nfs/dbraw/zinc/34/84/52/929348452.db2.gz JYYXZNCPMROFKO-UHFFFAOYSA-N 2 0 362.517 3.762 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180486060 929525079 /nfs/dbraw/zinc/52/50/79/929525079.db2.gz RMGXLJMEBOLENE-OAQYLSRUSA-N 2 0 358.913 3.723 20 0 FHADRP c1ccc(N2CCN(CCC[NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000683765679 930084736 /nfs/dbraw/zinc/08/47/36/930084736.db2.gz XULNUTUHVFTUIW-UHFFFAOYSA-N 2 0 360.505 3.537 20 0 FHADRP c1ccc(N2CC[NH+](CCCC[NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000683766109 930091146 /nfs/dbraw/zinc/09/11/46/930091146.db2.gz WYUDMOYBBIRBES-UHFFFAOYSA-N 2 0 374.532 3.927 20 0 FHADRP c1cn(Cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)cn1 ZINC000152091538 930124687 /nfs/dbraw/zinc/12/46/87/930124687.db2.gz QUIOSPPESHLMLM-UHFFFAOYSA-N 2 0 352.526 3.818 20 0 FHADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000150949651 937388660 /nfs/dbraw/zinc/38/86/60/937388660.db2.gz HWJSLINHTWFHSM-HNNXBMFYSA-N 2 0 371.541 3.720 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)CC1 ZINC000580190014 930350613 /nfs/dbraw/zinc/35/06/13/930350613.db2.gz BDHZXIDLXPJAIS-QFIPXVFZSA-N 2 0 361.549 3.639 20 0 FHADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000580202204 930358706 /nfs/dbraw/zinc/35/87/06/930358706.db2.gz AAYGBTGVVDZGKK-QHCPKHFHSA-N 2 0 368.521 3.885 20 0 FHADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000580280100 930433126 /nfs/dbraw/zinc/43/31/26/930433126.db2.gz YHPRWNAPZJRUNB-CQSZACIVSA-N 2 0 352.425 3.670 20 0 FHADRP CC(C)Oc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580311648 930471258 /nfs/dbraw/zinc/47/12/58/930471258.db2.gz XMFDKMYLAPBZEY-JTHBVZDNSA-N 2 0 366.505 3.862 20 0 FHADRP C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000580378691 930595045 /nfs/dbraw/zinc/59/50/45/930595045.db2.gz YHMLAJSTQKZLMB-QRVBRYPASA-N 2 0 371.569 3.570 20 0 FHADRP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000125598921 930678377 /nfs/dbraw/zinc/67/83/77/930678377.db2.gz OIJOIIAKIQIHLG-LJQANCHMSA-N 2 0 361.549 3.544 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000557040089 930687247 /nfs/dbraw/zinc/68/72/47/930687247.db2.gz XPSBHHFZWYNFGX-LPHOPBHVSA-N 2 0 372.538 3.672 20 0 FHADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000580565666 930862592 /nfs/dbraw/zinc/86/25/92/930862592.db2.gz LSYFLRZLLBRTTH-DZGCQCFKSA-N 2 0 354.432 3.536 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000580769280 931123848 /nfs/dbraw/zinc/12/38/48/931123848.db2.gz JZNWUFFHWRTCAM-XVAXZDLZSA-N 2 0 364.961 3.876 20 0 FHADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000580769279 931123897 /nfs/dbraw/zinc/12/38/97/931123897.db2.gz JZNWUFFHWRTCAM-CBNMVNINSA-N 2 0 364.961 3.876 20 0 FHADRP c1ccc(C[C@H]2CC[N@H+]2C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326525 /nfs/dbraw/zinc/32/65/25/931326525.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 0 350.506 3.595 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(SC(F)F)cc1 ZINC000160749635 931528177 /nfs/dbraw/zinc/52/81/77/931528177.db2.gz WXLUSMVSXUWLKX-GOEBONIOSA-N 2 0 358.498 3.889 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCCc2ccncc2)cc1 ZINC000656403632 931592029 /nfs/dbraw/zinc/59/20/29/931592029.db2.gz BUAXKVMBZUCQNZ-KEZOAJOQSA-N 2 0 361.533 3.857 20 0 FHADRP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn2)c1 ZINC000581207100 931674790 /nfs/dbraw/zinc/67/47/90/931674790.db2.gz YNOFYAACSRBXRM-PWRODBHTSA-N 2 0 367.493 3.845 20 0 FHADRP C[N@H+](CCC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000684164254 931690443 /nfs/dbraw/zinc/69/04/43/931690443.db2.gz UXLREKZVMUVPNT-OAQYLSRUSA-N 2 0 371.569 3.669 20 0 FHADRP C[N@H+](CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000684163253 931692925 /nfs/dbraw/zinc/69/29/25/931692925.db2.gz IUBGBGRSLXTNQU-UHFFFAOYSA-N 2 0 371.569 3.669 20 0 FHADRP COc1cc(F)c(CNC2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000581256271 931745764 /nfs/dbraw/zinc/74/57/64/931745764.db2.gz YXQRGTZQWZRFIK-UHFFFAOYSA-N 2 0 372.484 3.640 20 0 FHADRP Clc1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000656493824 931878038 /nfs/dbraw/zinc/87/80/38/931878038.db2.gz BNLMEWGWKIKUFL-KRWDZBQOSA-N 2 0 370.928 3.820 20 0 FHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000430570260 931903490 /nfs/dbraw/zinc/90/34/90/931903490.db2.gz MYEGYDHALCCERB-WIYYLYMNSA-N 2 0 373.566 3.649 20 0 FHADRP COC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000558510140 931951514 /nfs/dbraw/zinc/95/15/14/931951514.db2.gz YSXLODJXDWSNCB-OAHLLOKOSA-N 2 0 360.926 3.584 20 0 FHADRP CCOc1ccc(C[C@@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000656640758 932234144 /nfs/dbraw/zinc/23/41/44/932234144.db2.gz DHZSAIXXZUKBIS-GOSISDBHSA-N 2 0 353.510 3.918 20 0 FHADRP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000076399919 932377310 /nfs/dbraw/zinc/37/73/10/932377310.db2.gz JGMMCQLGHLHYGZ-UHFFFAOYSA-N 2 0 374.550 3.836 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784039 932420075 /nfs/dbraw/zinc/42/00/75/932420075.db2.gz CGURDIHNPCMQLZ-HXUWFJFHSA-N 2 0 352.526 3.701 20 0 FHADRP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000684394288 932528625 /nfs/dbraw/zinc/52/86/25/932528625.db2.gz GWPLRPWCSOTRBH-BAGYTPMASA-N 2 0 352.526 3.854 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000067059773 932723637 /nfs/dbraw/zinc/72/36/37/932723637.db2.gz MBJMJUJDCDZBFF-OALUTQOASA-N 2 0 374.573 3.543 20 0 FHADRP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399117614 933011017 /nfs/dbraw/zinc/01/10/17/933011017.db2.gz GLIOOYSTDOJXMS-SQNIBIBYSA-N 2 0 353.551 3.629 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cncc(F)c1 ZINC000090971246 933106549 /nfs/dbraw/zinc/10/65/49/933106549.db2.gz UZCVBSJCTNKTLV-QGZVFWFLSA-N 2 0 368.500 3.604 20 0 FHADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000090971357 933113015 /nfs/dbraw/zinc/11/30/15/933113015.db2.gz ZMPHZDMSIONMGM-INIZCTEOSA-N 2 0 370.566 3.834 20 0 FHADRP Cc1nc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000581960835 933121074 /nfs/dbraw/zinc/12/10/74/933121074.db2.gz SCGDXJNXZCMCNO-MRXNPFEDSA-N 2 0 359.539 3.819 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000510684450 933421400 /nfs/dbraw/zinc/42/14/00/933421400.db2.gz QARYRJQGRDHOOL-MRXNPFEDSA-N 2 0 372.475 3.851 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927135 933424501 /nfs/dbraw/zinc/42/45/01/933424501.db2.gz PQVACYAFOMTBIN-UTKZUKDTSA-N 2 0 371.569 3.707 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000430927134 933424797 /nfs/dbraw/zinc/42/47/97/933424797.db2.gz PQVACYAFOMTBIN-LAUBAEHRSA-N 2 0 371.569 3.707 20 0 FHADRP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCO2 ZINC000089215579 933431167 /nfs/dbraw/zinc/43/11/67/933431167.db2.gz FJPRFGQFHWIYET-NRFANRHFSA-N 2 0 351.494 3.974 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000430955632 933485454 /nfs/dbraw/zinc/48/54/54/933485454.db2.gz MEIJODGPBIDHEJ-UHFFFAOYSA-N 2 0 364.287 3.536 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952019 933561574 /nfs/dbraw/zinc/56/15/74/933561574.db2.gz UJZYTPJIBXAOCH-XJKSGUPXSA-N 2 0 370.324 3.786 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000431064315 933765983 /nfs/dbraw/zinc/76/59/83/933765983.db2.gz IWCLGWQGKFEXOC-UYAOXDASSA-N 2 0 357.542 3.679 20 0 FHADRP CCC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000548442398 933791865 /nfs/dbraw/zinc/79/18/65/933791865.db2.gz YOTOVSLIDIBFLU-SFTDATJTSA-N 2 0 353.510 3.537 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000510834066 933828982 /nfs/dbraw/zinc/82/89/82/933828982.db2.gz AFVURWMHHWEKSD-LJQANCHMSA-N 2 0 371.569 3.913 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000091707881 933877845 /nfs/dbraw/zinc/87/78/45/933877845.db2.gz SCBAWKBIJMTCNN-JOCHJYFZSA-N 2 0 360.542 3.798 20 0 FHADRP CN(C)CC[NH+]1CCC(C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000510871439 933915431 /nfs/dbraw/zinc/91/54/31/933915431.db2.gz FMFVBAJMBAXTPH-UHFFFAOYSA-N 2 0 365.565 3.682 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000132302904 934033522 /nfs/dbraw/zinc/03/35/22/934033522.db2.gz GYSAMDJJPWWGHZ-MAUKXSAKSA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000132346182 934041185 /nfs/dbraw/zinc/04/11/85/934041185.db2.gz GYOPHTDTGVIUTN-CRAIPNDOSA-N 2 0 357.464 3.628 20 0 FHADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132382605 934044244 /nfs/dbraw/zinc/04/42/44/934044244.db2.gz GDLGQEILQXNPRJ-DOTOQJQBSA-N 2 0 366.619 3.672 20 0 FHADRP Cc1cc(C)c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C ZINC000092426226 934056973 /nfs/dbraw/zinc/05/69/73/934056973.db2.gz PYRPGHXGGMPJRX-UHFFFAOYSA-N 2 0 373.585 3.528 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Cl)sc1Cl)N1CC[NH+](C)CC1 ZINC000132464694 934057061 /nfs/dbraw/zinc/05/70/61/934057061.db2.gz SPPCIRJVXVOVCV-GXTWGEPZSA-N 2 0 364.386 3.978 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000092454199 934058391 /nfs/dbraw/zinc/05/83/91/934058391.db2.gz WJLSHJPMPXGLFY-UHFFFAOYSA-N 2 0 373.585 3.998 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003248 934159141 /nfs/dbraw/zinc/15/91/41/934159141.db2.gz CDBPNZGRKYGHMB-DZFGPLHGSA-N 2 0 366.505 3.930 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)C[C@H]21 ZINC000262095762 934166474 /nfs/dbraw/zinc/16/64/74/934166474.db2.gz IJBOUKDTAUPCJG-SRCQZFHVSA-N 2 0 360.299 3.557 20 0 FHADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000684579542 934169923 /nfs/dbraw/zinc/16/99/23/934169923.db2.gz IWTWSRFJEGHGDF-GOSISDBHSA-N 2 0 363.461 3.509 20 0 FHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000510953459 934219051 /nfs/dbraw/zinc/21/90/51/934219051.db2.gz VDPLUSTZSUGRIO-INIZCTEOSA-N 2 0 371.491 3.642 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000510948774 934220923 /nfs/dbraw/zinc/22/09/23/934220923.db2.gz IYJJHQKWROWWAH-VQIMIIECSA-N 2 0 374.475 3.642 20 0 FHADRP Cc1nccn1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000510984901 934254092 /nfs/dbraw/zinc/25/40/92/934254092.db2.gz YQYSWJWSGGGNAY-OAHLLOKOSA-N 2 0 352.251 3.760 20 0 FHADRP C(CC[N@@H+]1CCC[C@]2(CCCOC2)C1)C[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000535724148 934311823 /nfs/dbraw/zinc/31/18/23/934311823.db2.gz JLEAAJXKXWLQRF-SZPZYZBQSA-N 2 0 364.574 3.552 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1OC(F)F ZINC000535811374 934402067 /nfs/dbraw/zinc/40/20/67/934402067.db2.gz PBSYCIBFYKDAMP-UHFFFAOYSA-N 2 0 356.457 3.849 20 0 FHADRP C[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276998683 934431904 /nfs/dbraw/zinc/43/19/04/934431904.db2.gz YWNSJMJHDROFDM-OWCLPIDISA-N 2 0 358.486 3.611 20 0 FHADRP CC1CC[NH+]([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236660193 934759488 /nfs/dbraw/zinc/75/94/88/934759488.db2.gz NZZGWKRVWQOFTD-RBUKOAKNSA-N 2 0 371.550 3.727 20 0 FHADRP C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000537959847 934874524 /nfs/dbraw/zinc/87/45/24/934874524.db2.gz XGRPPFGIWAQVMJ-RAKGIWIYSA-N 2 0 350.506 3.864 20 0 FHADRP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000657296380 934999097 /nfs/dbraw/zinc/99/90/97/934999097.db2.gz GUNLCTXYUYSXPO-LJQANCHMSA-N 2 0 368.521 3.986 20 0 FHADRP C[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)CC[C@@H]1CCCC[NH+]1C ZINC001167508942 935014459 /nfs/dbraw/zinc/01/44/59/935014459.db2.gz KDZVRTLCBXZBBP-KRWDZBQOSA-N 2 0 353.551 3.582 20 0 FHADRP COCc1csc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000657301205 935023645 /nfs/dbraw/zinc/02/36/45/935023645.db2.gz VSNUNQUFVVHDSD-IRXDYDNUSA-N 2 0 374.550 3.794 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000415006296 945070990 /nfs/dbraw/zinc/07/09/90/945070990.db2.gz QFSSPAFAWJAJDD-NQIIRXRSSA-N 2 0 360.517 3.848 20 0 FHADRP CCOc1cc(CN(C)C2CC[NH+](C(C)C)CC2)ccc1OC(F)F ZINC000506379141 945074587 /nfs/dbraw/zinc/07/45/87/945074587.db2.gz FQCATHVSBZOUME-UHFFFAOYSA-N 2 0 356.457 3.991 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494007 935090020 /nfs/dbraw/zinc/09/00/20/935090020.db2.gz HVYHIUWFGREOEX-APWZRJJASA-N 2 0 366.509 3.995 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000472125361 935098209 /nfs/dbraw/zinc/09/82/09/935098209.db2.gz CDYQJVKHFMOBHU-INIZCTEOSA-N 2 0 359.489 3.510 20 0 FHADRP COc1ccsc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000472128071 935101471 /nfs/dbraw/zinc/10/14/71/935101471.db2.gz LWGQNILKFWCFOC-IEBWSBKVSA-N 2 0 373.566 3.786 20 0 FHADRP c1ccc([C@@H]2CCC[C@H](C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)O2)cc1 ZINC001167533869 935141443 /nfs/dbraw/zinc/14/14/43/935141443.db2.gz NAPHIRUFVBPVKY-PKTZIBPZSA-N 2 0 372.553 3.874 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157873899 935217284 /nfs/dbraw/zinc/21/72/84/935217284.db2.gz TWZYJSKIHDLJII-HOTGVXAUSA-N 2 0 370.534 3.534 20 0 FHADRP CSC1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC[NH+](C)CC1 ZINC000582092522 935242476 /nfs/dbraw/zinc/24/24/76/935242476.db2.gz VHTDXPHXMHVPHA-MRXNPFEDSA-N 2 0 369.372 3.853 20 0 FHADRP Cn1nc(C(F)(F)F)cc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000657338954 935272041 /nfs/dbraw/zinc/27/20/41/935272041.db2.gz XTGSVQDXCIFCLD-UHFFFAOYSA-N 2 0 372.460 3.502 20 0 FHADRP C[NH+](C)CCOc1ccc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000684768362 935317040 /nfs/dbraw/zinc/31/70/40/935317040.db2.gz ZTQVACHHSFDLQH-OAQYLSRUSA-N 2 0 359.558 3.514 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000582181852 935382488 /nfs/dbraw/zinc/38/24/88/935382488.db2.gz VRSKDZDIAGIAAK-XRULBBBTSA-N 2 0 363.505 3.740 20 0 FHADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554331 935389941 /nfs/dbraw/zinc/38/99/41/935389941.db2.gz NVBZDUAEWFQHSM-PKTZIBPZSA-N 2 0 356.554 3.916 20 0 FHADRP CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000582196946 935394036 /nfs/dbraw/zinc/39/40/36/935394036.db2.gz BYCJLCZENKKDGN-LJQANCHMSA-N 2 0 366.553 3.883 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1NC(C)=O ZINC000158193830 935414002 /nfs/dbraw/zinc/41/40/02/935414002.db2.gz DKZDFLVJUMCLSI-QGZVFWFLSA-N 2 0 361.530 3.816 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000582296086 935492716 /nfs/dbraw/zinc/49/27/16/935492716.db2.gz OMYSBTLIYWVXEL-SFHVURJKSA-N 2 0 360.889 3.532 20 0 FHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC000159152126 935802704 /nfs/dbraw/zinc/80/27/04/935802704.db2.gz FUBYTQBFVZDMAQ-OAHLLOKOSA-N 2 0 374.529 3.545 20 0 FHADRP Fc1cccc(F)c1C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657493011 935871108 /nfs/dbraw/zinc/87/11/08/935871108.db2.gz SWIXWAHWUQJUOM-UHFFFAOYSA-N 2 0 354.404 3.757 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000684953431 935898294 /nfs/dbraw/zinc/89/82/94/935898294.db2.gz NAXMANRUOQDPNI-NRFANRHFSA-N 2 0 353.510 3.969 20 0 FHADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc2cccnc12 ZINC000657537348 935976000 /nfs/dbraw/zinc/97/60/00/935976000.db2.gz IFWOBBHPRVPNLU-UHFFFAOYSA-N 2 0 353.510 3.524 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237472269 936068893 /nfs/dbraw/zinc/06/88/93/936068893.db2.gz CIAWYZURMDEAKY-XMSQKQJNSA-N 2 0 365.521 3.625 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4cccc(Cl)c4C3)cc2)C1 ZINC000657597221 936073035 /nfs/dbraw/zinc/07/30/35/936073035.db2.gz RBEFFKREFSPOPK-PMACEKPBSA-N 2 0 370.924 3.554 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)C1 ZINC000657594957 936075690 /nfs/dbraw/zinc/07/56/90/936075690.db2.gz LRRYTXSEDQAPFB-NRFANRHFSA-N 2 0 362.473 3.803 20 0 FHADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)CCC2 ZINC000582750005 936076450 /nfs/dbraw/zinc/07/64/50/936076450.db2.gz ZJNRNTIRLRYQOA-NRFANRHFSA-N 2 0 369.509 3.588 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C4CCC4)cc3)cc2)C1 ZINC000657597656 936081137 /nfs/dbraw/zinc/08/11/37/936081137.db2.gz WDDIFHNAPIKBAJ-QHCPKHFHSA-N 2 0 350.506 3.811 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000657599166 936081857 /nfs/dbraw/zinc/08/18/57/936081857.db2.gz PFOZMSHJHZGRSN-SFTDATJTSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000221974390 936155831 /nfs/dbraw/zinc/15/58/31/936155831.db2.gz SGPWYSMIVPTNNL-NSHDSACASA-N 2 0 350.359 3.732 20 0 FHADRP Brc1ccc(CC2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000657660772 936182100 /nfs/dbraw/zinc/18/21/00/936182100.db2.gz RBWHIUAZIGRKJY-MSOLQXFVSA-N 2 0 363.343 3.988 20 0 FHADRP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c(c1)ncn2[C@@H]1CCC[NH2+]CC1 ZINC001167624993 936188146 /nfs/dbraw/zinc/18/81/46/936188146.db2.gz ORRSVRZPJCMWSM-QGZVFWFLSA-N 2 0 369.557 3.836 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582840085 936206156 /nfs/dbraw/zinc/20/61/56/936206156.db2.gz DGHYZTZLNCAZAO-HNNXBMFYSA-N 2 0 353.457 3.538 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237709487 936219829 /nfs/dbraw/zinc/21/98/29/936219829.db2.gz BDYKVSXJYLUVGR-ROUUACIJSA-N 2 0 365.521 3.553 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)C[NH+](C)C ZINC000120420395 936220595 /nfs/dbraw/zinc/22/05/95/936220595.db2.gz KROAYKDBAYMWPE-ZDUSSCGKSA-N 2 0 359.436 3.600 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000078639982 936229002 /nfs/dbraw/zinc/22/90/02/936229002.db2.gz KTDMHLVSQAVZLT-NXWNEQKCSA-N 2 0 371.569 3.570 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnc(C)nc3C)CC2)cc1 ZINC000120672476 936243811 /nfs/dbraw/zinc/24/38/11/936243811.db2.gz KNGBKMGHRHAGPA-MRXNPFEDSA-N 2 0 368.525 3.665 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000582905391 936278896 /nfs/dbraw/zinc/27/88/96/936278896.db2.gz NQLPHQZPFGMZOL-GOSISDBHSA-N 2 0 370.459 3.715 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000650706432 938285806 /nfs/dbraw/zinc/28/58/06/938285806.db2.gz KNVJYUSJXPENFW-YQVWRLOYSA-N 2 0 357.523 3.528 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000650707413 938289279 /nfs/dbraw/zinc/28/92/79/938289279.db2.gz FGRHSDCQGXHIBQ-MDZRGWNJSA-N 2 0 359.901 3.607 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OCc1cccs1 ZINC000650709235 938290621 /nfs/dbraw/zinc/29/06/21/938290621.db2.gz LJYKPRZTPANNRS-UWJYYQICSA-N 2 0 372.534 3.897 20 0 FHADRP c1ccc(COc2ccccc2C[NH2+]CC2CC[NH+](C3CC3)CC2)nc1 ZINC000278300220 938293576 /nfs/dbraw/zinc/29/35/76/938293576.db2.gz CVQUWSVNFQAPPP-UHFFFAOYSA-N 2 0 351.494 3.625 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1OCC(F)(F)F ZINC000650711976 938296460 /nfs/dbraw/zinc/29/64/60/938296460.db2.gz LHINLLMVKAKQQM-HIFRSBDPSA-N 2 0 360.420 3.586 20 0 FHADRP [NH3+]CC1(CC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000650712817 938298614 /nfs/dbraw/zinc/29/86/14/938298614.db2.gz WGMPELDXXCAEFF-UHFFFAOYSA-N 2 0 351.210 3.687 20 0 FHADRP [NH3+]CC1(CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000650713517 938300031 /nfs/dbraw/zinc/30/00/31/938300031.db2.gz VMQHPFOMTJKCAI-UHFFFAOYSA-N 2 0 357.885 3.811 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(C)c1OC(F)F ZINC000650721835 938310425 /nfs/dbraw/zinc/31/04/25/938310425.db2.gz CWPRIHSOKPDPCE-KURKYZTESA-N 2 0 368.468 3.766 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000650723472 938310636 /nfs/dbraw/zinc/31/06/36/938310636.db2.gz OPNHVWCJNLPBAL-FRFSOERESA-N 2 0 374.859 3.802 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(-c3cccnc3)c2)C1 ZINC000650723848 938311001 /nfs/dbraw/zinc/31/10/01/938311001.db2.gz UXUZGJMTPKTORX-YPAWHYETSA-N 2 0 351.494 3.609 20 0 FHADRP COCc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000128698071 938315646 /nfs/dbraw/zinc/31/56/46/938315646.db2.gz MUABAXLYGCQFKA-UHFFFAOYSA-N 2 0 354.450 3.941 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000583693149 938360847 /nfs/dbraw/zinc/36/08/47/938360847.db2.gz AAXXFTHTMYUHIT-YYWHXJBOSA-N 2 0 372.944 3.761 20 0 FHADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000650746059 938375303 /nfs/dbraw/zinc/37/53/03/938375303.db2.gz VCCTXHSTPYHYTP-RDJZCZTQSA-N 2 0 350.478 3.553 20 0 FHADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000583759691 938394183 /nfs/dbraw/zinc/39/41/83/938394183.db2.gz VDWPFEZLMLIFLL-OTWHNJEPSA-N 2 0 355.530 3.676 20 0 FHADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OC(F)F ZINC000650752757 938400702 /nfs/dbraw/zinc/40/07/02/938400702.db2.gz ZVFCETWBHMKFMV-LLVKDONJSA-N 2 0 354.372 3.745 20 0 FHADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2cnn(C)c2)c1 ZINC000583800352 938418889 /nfs/dbraw/zinc/41/88/89/938418889.db2.gz OYUSSLRDIYAWEY-LJQANCHMSA-N 2 0 352.526 3.703 20 0 FHADRP Fc1cncc([C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)c1 ZINC000467353966 945179744 /nfs/dbraw/zinc/17/97/44/945179744.db2.gz BXHOWOCKHWUKPU-XMSQKQJNSA-N 2 0 353.485 3.826 20 0 FHADRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc(Cl)c1OC ZINC000657813005 938523298 /nfs/dbraw/zinc/52/32/98/938523298.db2.gz YSEDKOPHVUJLHV-UHFFFAOYSA-N 2 0 352.906 3.569 20 0 FHADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000278552733 938525877 /nfs/dbraw/zinc/52/58/77/938525877.db2.gz VXNJCCZVZMXFRH-ZDUSSCGKSA-N 2 0 354.441 3.822 20 0 FHADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(-c2ccnn2C)c1 ZINC000657815349 938533123 /nfs/dbraw/zinc/53/31/23/938533123.db2.gz PQZOQMBLDBEFCA-UHFFFAOYSA-N 2 0 352.526 3.607 20 0 FHADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000415007891 945186721 /nfs/dbraw/zinc/18/67/21/945186721.db2.gz RVRZGFYASDCQPS-YJBOKZPZSA-N 2 0 366.431 3.557 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000080650333 938594402 /nfs/dbraw/zinc/59/44/02/938594402.db2.gz VERYYOOAAAPRLB-UHFFFAOYSA-N 2 0 356.457 3.611 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000657834762 938632641 /nfs/dbraw/zinc/63/26/41/938632641.db2.gz BJGKGHFQXSUTSF-CVDCTZTESA-N 2 0 374.569 3.840 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000518197686 945194265 /nfs/dbraw/zinc/19/42/65/945194265.db2.gz NAJNGYLNFORYLL-PCCBWWKXSA-N 2 0 372.553 3.845 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302094 938677605 /nfs/dbraw/zinc/67/76/05/938677605.db2.gz RYOZKHSTTYNDMM-OWYHZJEWSA-N 2 0 369.475 3.948 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000151819608 938688191 /nfs/dbraw/zinc/68/81/91/938688191.db2.gz AGCFAIPXJSGWLH-OAHLLOKOSA-N 2 0 362.514 3.909 20 0 FHADRP C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081044466 938713702 /nfs/dbraw/zinc/71/37/02/938713702.db2.gz FLLOEDWRYKFHMG-UHFFFAOYSA-N 2 0 360.461 3.817 20 0 FHADRP COCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000089215047 938854024 /nfs/dbraw/zinc/85/40/24/938854024.db2.gz VUWSLFZQOMZITD-OAQYLSRUSA-N 2 0 357.473 3.805 20 0 FHADRP c1sc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)nc1-c1ccccn1 ZINC000090044673 938867909 /nfs/dbraw/zinc/86/79/09/938867909.db2.gz OWOZIAJZIIHDIK-UHFFFAOYSA-N 2 0 356.539 3.744 20 0 FHADRP CC(C)[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000091284264 938899147 /nfs/dbraw/zinc/89/91/47/938899147.db2.gz FIKUHDHVWOPFCG-DHIUTWEWSA-N 2 0 366.553 3.747 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285539 938899505 /nfs/dbraw/zinc/89/95/05/938899505.db2.gz FOODWWFBWMGZSF-HNAYVOBHSA-N 2 0 369.475 3.772 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3cccnc3)C(C)C)cc2)CC1 ZINC000091287222 938899530 /nfs/dbraw/zinc/89/95/30/938899530.db2.gz XVUOHEFMULHHNV-QHCPKHFHSA-N 2 0 366.553 3.706 20 0 FHADRP CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091320524 938900310 /nfs/dbraw/zinc/90/03/10/938900310.db2.gz XUQHLQSRGNSUGF-VQIMIIECSA-N 2 0 371.491 3.876 20 0 FHADRP c1ccc(OCC2CC2)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735128 938929316 /nfs/dbraw/zinc/92/93/16/938929316.db2.gz PXYVPMBAVSJLEE-UHFFFAOYSA-N 2 0 358.526 3.552 20 0 FHADRP CCn1c2ccccc2nc1C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000093769496 938930131 /nfs/dbraw/zinc/93/01/31/938930131.db2.gz LHGBJAJJYPHHCK-UHFFFAOYSA-N 2 0 372.557 3.627 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000093414981 938933668 /nfs/dbraw/zinc/93/36/68/938933668.db2.gz JORLAYIZZQXIGK-UHFFFAOYSA-N 2 0 359.558 3.608 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657871109 938950831 /nfs/dbraw/zinc/95/08/31/938950831.db2.gz GXRLRNVOSSXVHF-HNNXBMFYSA-N 2 0 369.475 3.706 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000657872074 938955082 /nfs/dbraw/zinc/95/50/82/938955082.db2.gz XZUYKIFOUVRMAJ-XLIONFOSSA-N 2 0 351.966 3.524 20 0 FHADRP CC[N@H+](C)[C@@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000431554443 938965011 /nfs/dbraw/zinc/96/50/11/938965011.db2.gz AFFBAMHCKBHNNP-OAQYLSRUSA-N 2 0 359.558 3.554 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657883638 938971501 /nfs/dbraw/zinc/97/15/01/938971501.db2.gz ZTSNXZAIWARBBC-LJQANCHMSA-N 2 0 358.917 3.873 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657887538 938978704 /nfs/dbraw/zinc/97/87/04/938978704.db2.gz CZEDGUTZCOBZOA-HKUYNNGSSA-N 2 0 350.934 3.752 20 0 FHADRP COCCOCc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000685410496 938984249 /nfs/dbraw/zinc/98/42/49/938984249.db2.gz CZFJKMQLOMQZAC-UHFFFAOYSA-N 2 0 374.569 3.938 20 0 FHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)CC1 ZINC000685462837 938988636 /nfs/dbraw/zinc/98/86/36/938988636.db2.gz OYNRGXWGGLACPY-LJQANCHMSA-N 2 0 372.944 3.749 20 0 FHADRP CC[C@@]1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)OCCc2ccccc21 ZINC000685624709 939005659 /nfs/dbraw/zinc/00/56/59/939005659.db2.gz XOQJADFMDIDMQK-QHCPKHFHSA-N 2 0 368.521 3.595 20 0 FHADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657936163 939009378 /nfs/dbraw/zinc/00/93/78/939009378.db2.gz DTCAKDKUCXHAEG-GOSISDBHSA-N 2 0 351.332 3.868 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc2ccncc2s1 ZINC000657969267 939013524 /nfs/dbraw/zinc/01/35/24/939013524.db2.gz LLYCMQHACQPPRH-HNAYVOBHSA-N 2 0 367.518 3.714 20 0 FHADRP FC(F)(F)CN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000163927923 939016139 /nfs/dbraw/zinc/01/61/39/939016139.db2.gz ZFJIWUBJVNSFLE-UHFFFAOYSA-N 2 0 369.475 3.789 20 0 FHADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc2ccncc2s1 ZINC000658012894 939018062 /nfs/dbraw/zinc/01/80/62/939018062.db2.gz JHUIWISDEBXJLU-OAHLLOKOSA-N 2 0 370.522 3.873 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cnc2ccsc2c1 ZINC000658066957 939021506 /nfs/dbraw/zinc/02/15/06/939021506.db2.gz HSARXTAIRSGDMB-OAHLLOKOSA-N 2 0 359.539 3.838 20 0 FHADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067956 939021602 /nfs/dbraw/zinc/02/16/02/939021602.db2.gz SSAJYHQBPUARCW-GMAHTHKFSA-N 2 0 356.554 3.878 20 0 FHADRP CC1(C)[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000658069793 939021761 /nfs/dbraw/zinc/02/17/61/939021761.db2.gz IDTMPWAGOSPJBJ-VXKWHMMOSA-N 2 0 372.553 3.713 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658089626 939022138 /nfs/dbraw/zinc/02/21/38/939022138.db2.gz AKAWKWLVRYJCQD-WBVHZDCISA-N 2 0 365.949 3.539 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135368 939030333 /nfs/dbraw/zinc/03/03/33/939030333.db2.gz DIKFASYRFPUZDZ-BEFAXECRSA-N 2 0 356.535 3.654 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccnc3ccccc23)[C@H](C)C1 ZINC000658126669 939034037 /nfs/dbraw/zinc/03/40/37/939034037.db2.gz HCSFSNWGRNMSFO-WIYYLYMNSA-N 2 0 355.526 3.504 20 0 FHADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000658142153 939035486 /nfs/dbraw/zinc/03/54/86/939035486.db2.gz VCFULSFEYPPMAE-HNAYVOBHSA-N 2 0 374.525 3.965 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142137 939035547 /nfs/dbraw/zinc/03/55/47/939035547.db2.gz VBRKOFRAQOQURA-AVRDEDQJSA-N 2 0 352.522 3.709 20 0 FHADRP CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137193 939040446 /nfs/dbraw/zinc/04/04/46/939040446.db2.gz JROHRFZNJFSHKS-UWJYYQICSA-N 2 0 370.562 3.696 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)cc2)C1 ZINC000658137695 939040518 /nfs/dbraw/zinc/04/05/18/939040518.db2.gz IALICVXZVYEYBU-ZLNRFVROSA-N 2 0 350.506 3.679 20 0 FHADRP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C(C)C)cc1 ZINC000658137629 939041299 /nfs/dbraw/zinc/04/12/99/939041299.db2.gz KUCWNZQEWBOTKH-GGAORHGYSA-N 2 0 368.521 3.749 20 0 FHADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137384 939041396 /nfs/dbraw/zinc/04/13/96/939041396.db2.gz GNMCBWBTJLJDSS-KXBFYZLASA-N 2 0 373.566 3.992 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138111 939042513 /nfs/dbraw/zinc/04/25/13/939042513.db2.gz MSJDGFUHFVZMCJ-UWJYYQICSA-N 2 0 361.489 3.652 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)c(F)c(F)c1 ZINC000658140784 939043502 /nfs/dbraw/zinc/04/35/02/939043502.db2.gz RCDAQSVDZNVAGB-CXAGYDPISA-N 2 0 364.411 3.521 20 0 FHADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658165326 939053854 /nfs/dbraw/zinc/05/38/54/939053854.db2.gz ILTRZGCBOVEZCV-SFTDATJTSA-N 2 0 359.558 3.723 20 0 FHADRP CC(C)[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320572 939111154 /nfs/dbraw/zinc/11/11/54/939111154.db2.gz ZTVOLDNRKIEIEA-NRFANRHFSA-N 2 0 355.570 3.751 20 0 FHADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319783 939111604 /nfs/dbraw/zinc/11/16/04/939111604.db2.gz IVRRUHQRQAIIGS-CTNGQTDRSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000289363676 945230554 /nfs/dbraw/zinc/23/05/54/945230554.db2.gz YZGALCCKRYDSNX-HOTGVXAUSA-N 2 0 359.539 3.861 20 0 FHADRP C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000507478541 945263101 /nfs/dbraw/zinc/26/31/01/945263101.db2.gz MTBNJPHSSNTPSU-AWEZNQCLSA-N 2 0 366.427 3.938 20 0 FHADRP CCOc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000518267639 945271340 /nfs/dbraw/zinc/27/13/40/945271340.db2.gz OCBUGJPIRVGMIL-HSZRJFAPSA-N 2 0 367.537 3.554 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)[C@H]1CCCOC1 ZINC000507517237 945279657 /nfs/dbraw/zinc/27/96/57/945279657.db2.gz YVZSLEAQFHGSDK-VMBXEPDQSA-N 2 0 374.569 3.600 20 0 FHADRP OCC[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507516760 945279978 /nfs/dbraw/zinc/27/99/78/945279978.db2.gz WTAMVSVSRMOMCC-KAOXLYBCSA-N 2 0 350.506 3.610 20 0 FHADRP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000310516254 939905018 /nfs/dbraw/zinc/90/50/18/939905018.db2.gz ZPHVGYWPPIMJHS-ROUUACIJSA-N 2 0 355.567 3.876 20 0 FHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431635629 939913190 /nfs/dbraw/zinc/91/31/90/939913190.db2.gz LQZHORIRCAHBDF-QFIPXVFZSA-N 2 0 369.553 3.696 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000375892647 940025347 /nfs/dbraw/zinc/02/53/47/940025347.db2.gz ZDWSAAGWIFOAJY-URVUXULASA-N 2 0 351.494 3.590 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)nc1 ZINC000647480753 940063098 /nfs/dbraw/zinc/06/30/98/940063098.db2.gz YVXPIKIEAOAYBC-SIKLNZKXSA-N 2 0 351.494 3.625 20 0 FHADRP COc1ccc(C[N@H+](CCCn2ccnc2C)CC2CCC2)c(OC)c1 ZINC000548931252 940077423 /nfs/dbraw/zinc/07/74/23/940077423.db2.gz RXAUDRODYQWYDK-UHFFFAOYSA-N 2 0 357.498 3.901 20 0 FHADRP CC(C)C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH2+][C@H](C)c1ccccc1 ZINC000570088928 940131630 /nfs/dbraw/zinc/13/16/30/940131630.db2.gz SCURJDWEENMWLA-UTKZUKDTSA-N 2 0 353.510 3.641 20 0 FHADRP CCCn1ccnc1CCC[N@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628280402 940150907 /nfs/dbraw/zinc/15/09/07/940150907.db2.gz HGLGYPDJYSACIH-UHFFFAOYSA-N 2 0 350.457 3.702 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000415009369 945301431 /nfs/dbraw/zinc/30/14/31/945301431.db2.gz TYOKMJMGRYGLJW-DNVCBOLYSA-N 2 0 359.901 3.921 20 0 FHADRP C[C@@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799799 940183443 /nfs/dbraw/zinc/18/34/43/940183443.db2.gz RCGOTVVQQSCIJM-LEUOFYLZSA-N 2 0 356.432 3.739 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C5CCC5)CC4)[C@@H]3C2)cc1 ZINC000507525197 945302069 /nfs/dbraw/zinc/30/20/69/945302069.db2.gz KAHWDBQJICOJPG-PMOQBDJRSA-N 2 0 353.554 3.504 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414065592 940473888 /nfs/dbraw/zinc/47/38/88/940473888.db2.gz GBCDDFKNCSVIAW-ZWKOTPCHSA-N 2 0 372.582 3.734 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000431760562 940478651 /nfs/dbraw/zinc/47/86/51/940478651.db2.gz XLUXEFMJMQLKTA-KNQAVFIVSA-N 2 0 371.569 3.799 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431764033 940481763 /nfs/dbraw/zinc/48/17/63/940481763.db2.gz YKIPERPOPXEWJW-UGKGYDQZSA-N 2 0 371.569 3.799 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1csc(-c2ccccc2)n1 ZINC000414082911 940486492 /nfs/dbraw/zinc/48/64/92/940486492.db2.gz FYVPQQPZKKLUDT-FUHWJXTLSA-N 2 0 359.539 3.698 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1 ZINC000652137316 945326298 /nfs/dbraw/zinc/32/62/98/945326298.db2.gz GWSYVAYMCYCNGL-OAQYLSRUSA-N 2 0 370.516 3.850 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414104351 940508944 /nfs/dbraw/zinc/50/89/44/940508944.db2.gz FOYCMMIPQPVAMS-GHTZIAJQSA-N 2 0 368.521 3.811 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414108453 940510698 /nfs/dbraw/zinc/51/06/98/940510698.db2.gz LSEKQLSUEGDSEO-WFXMLNOXSA-N 2 0 353.510 3.521 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414111600 940591462 /nfs/dbraw/zinc/59/14/62/940591462.db2.gz MOTUDUUKHUYOLM-ICSRJNTNSA-N 2 0 363.977 3.982 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000173536571 940638573 /nfs/dbraw/zinc/63/85/73/940638573.db2.gz CODLOCXSMZANBK-LJQANCHMSA-N 2 0 359.558 3.616 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414151696 940681101 /nfs/dbraw/zinc/68/11/01/940681101.db2.gz ZBCFUIRVLVFSPL-YFVAEKQCSA-N 2 0 363.977 3.982 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000414172452 940708430 /nfs/dbraw/zinc/70/84/30/940708430.db2.gz FERHPQIPOJCDBH-ZIAGYGMSSA-N 2 0 355.320 3.840 20 0 FHADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414178047 940717446 /nfs/dbraw/zinc/71/74/46/940717446.db2.gz KBILSPPXQHBPSO-ROUUACIJSA-N 2 0 360.546 3.943 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000651591730 945349028 /nfs/dbraw/zinc/34/90/28/945349028.db2.gz AHVOZKMPKQUEJE-IBGZPJMESA-N 2 0 362.539 3.538 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)cc1 ZINC000892573665 940813446 /nfs/dbraw/zinc/81/34/46/940813446.db2.gz VBKHPSDQOVJVFW-QGZVFWFLSA-N 2 0 352.526 3.962 20 0 FHADRP [NH3+]C1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000229687012 940821772 /nfs/dbraw/zinc/82/17/72/940821772.db2.gz YTXWWRKYIZLCKF-UHFFFAOYSA-N 2 0 367.209 3.707 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000248881203 940825031 /nfs/dbraw/zinc/82/50/31/940825031.db2.gz KTFBNZFQQMYHHS-VGSWGCGISA-N 2 0 351.494 3.731 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000414257082 940845042 /nfs/dbraw/zinc/84/50/42/940845042.db2.gz WVGNRCJKLMMMSK-YHDSQAASSA-N 2 0 374.573 3.613 20 0 FHADRP OC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000414294402 940908467 /nfs/dbraw/zinc/90/84/67/940908467.db2.gz CEPLUTKEBHXGPC-FQEVSTJZSA-N 2 0 372.459 3.569 20 0 FHADRP CCC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000414306205 940929102 /nfs/dbraw/zinc/92/91/02/940929102.db2.gz NXSJORMMFYKXIJ-NRFANRHFSA-N 2 0 353.510 3.540 20 0 FHADRP OC1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414306494 940929807 /nfs/dbraw/zinc/92/98/07/940929807.db2.gz OJKZJEUWJUWPNL-QHCPKHFHSA-N 2 0 364.533 3.624 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000414320203 940964374 /nfs/dbraw/zinc/96/43/74/940964374.db2.gz BMCWLDFEOMIMCV-UHFFFAOYSA-N 2 0 356.539 3.948 20 0 FHADRP CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322565 940968811 /nfs/dbraw/zinc/96/88/11/940968811.db2.gz HCKZTRZYQFRKNA-SFHVURJKSA-N 2 0 357.542 3.608 20 0 FHADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000414324600 940974128 /nfs/dbraw/zinc/97/41/28/940974128.db2.gz KSEJAMLSSSNYAH-MRXNPFEDSA-N 2 0 371.550 3.605 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)CC1 ZINC000186406710 940997311 /nfs/dbraw/zinc/99/73/11/940997311.db2.gz UVPAZTBUGHXYGQ-HSZRJFAPSA-N 2 0 365.521 3.680 20 0 FHADRP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000414338365 941004258 /nfs/dbraw/zinc/00/42/58/941004258.db2.gz KITJMHMNRLLWEP-QFIPXVFZSA-N 2 0 371.569 3.832 20 0 FHADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000647543357 941065403 /nfs/dbraw/zinc/06/54/03/941065403.db2.gz LSPPMLIJFOXLOC-MOPGFXCFSA-N 2 0 352.526 3.607 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543826 941065781 /nfs/dbraw/zinc/06/57/81/941065781.db2.gz SOKAPLKXPHCHDV-NHCUHLMSSA-N 2 0 365.521 3.872 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134429531 941071428 /nfs/dbraw/zinc/07/14/28/941071428.db2.gz NPGOUMULJCTAFT-KRWDZBQOSA-N 2 0 356.341 3.596 20 0 FHADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000685928197 941085409 /nfs/dbraw/zinc/08/54/09/941085409.db2.gz ARBXWNCNMDLVCH-RTBURBONSA-N 2 0 374.573 3.589 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423390590 941095454 /nfs/dbraw/zinc/09/54/54/941095454.db2.gz OZIVDPSDIZISNS-GARJFASQSA-N 2 0 350.356 3.810 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000163571191 941121323 /nfs/dbraw/zinc/12/13/23/941121323.db2.gz ANNVNRIXNORGTL-GOSISDBHSA-N 2 0 363.509 3.960 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000311247468 941152284 /nfs/dbraw/zinc/15/22/84/941152284.db2.gz DGLBBUJDHNSEBI-UHFFFAOYSA-N 2 0 361.530 3.674 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000178249062 941211902 /nfs/dbraw/zinc/21/19/02/941211902.db2.gz IHBUXAMORXJOBO-INIZCTEOSA-N 2 0 355.482 3.679 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311503765 941315313 /nfs/dbraw/zinc/31/53/13/941315313.db2.gz FTPKQWWUFBYDCN-GHTZIAJQSA-N 2 0 352.522 3.914 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000180180142 941351921 /nfs/dbraw/zinc/35/19/21/941351921.db2.gz SSYAZZFRPARAGY-AHJNKEMKSA-N 2 0 372.578 3.541 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012668 941540728 /nfs/dbraw/zinc/54/07/28/941540728.db2.gz TZNBAIDLEUZSRK-LEWJYISDSA-N 2 0 366.553 3.707 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000415027314 941549505 /nfs/dbraw/zinc/54/95/05/941549505.db2.gz AXNMHOOUQZIFRB-ZBFHGGJFSA-N 2 0 357.885 3.809 20 0 FHADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415026545 941549806 /nfs/dbraw/zinc/54/98/06/941549806.db2.gz ULGOBTSQPYZOEQ-KRWDZBQOSA-N 2 0 364.493 3.765 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415043074 941562126 /nfs/dbraw/zinc/56/21/26/941562126.db2.gz ABYACFOGWHKBTN-QTGUNEKASA-N 2 0 351.538 3.892 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415044669 941568903 /nfs/dbraw/zinc/56/89/03/941568903.db2.gz AVOBWSIYPQWYFK-OAQYLSRUSA-N 2 0 352.457 3.890 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059429 941570941 /nfs/dbraw/zinc/57/09/41/941570941.db2.gz WWLOURZPWBLDRR-UNMCSNQZSA-N 2 0 351.494 3.625 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059426 941571008 /nfs/dbraw/zinc/57/10/08/941571008.db2.gz WWLOURZPWBLDRR-RBBKRZOGSA-N 2 0 351.494 3.625 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000415061833 941580597 /nfs/dbraw/zinc/58/05/97/941580597.db2.gz DRGYOWPDEZEIJZ-HSZRJFAPSA-N 2 0 369.528 3.685 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000415104019 941606037 /nfs/dbraw/zinc/60/60/37/941606037.db2.gz GHFSHXJATAXNBL-RTBURBONSA-N 2 0 354.897 3.630 20 0 FHADRP C[NH+](C)Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)cc1F ZINC000584524947 941613907 /nfs/dbraw/zinc/61/39/07/941613907.db2.gz OIACZULTPLKHML-UHFFFAOYSA-N 2 0 363.864 3.659 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415120361 941616299 /nfs/dbraw/zinc/61/62/99/941616299.db2.gz GSPBJNPAQFRRHI-AVRDEDQJSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc(C)c1OC(F)F ZINC000415120869 941617849 /nfs/dbraw/zinc/61/78/49/941617849.db2.gz HJHDWMRIYVWJAA-ZWKOTPCHSA-N 2 0 368.468 3.623 20 0 FHADRP C[C@@H](CCc1ccsc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415135198 941621484 /nfs/dbraw/zinc/62/14/84/941621484.db2.gz PWMFIFFTYVXCDF-SFHVURJKSA-N 2 0 357.567 3.652 20 0 FHADRP C[C@@H](C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000415139506 941626850 /nfs/dbraw/zinc/62/68/50/941626850.db2.gz XERRBQOOFGHIPA-SFHVURJKSA-N 2 0 355.501 3.512 20 0 FHADRP CCOc1ccc(Br)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204734632 941725340 /nfs/dbraw/zinc/72/53/40/941725340.db2.gz AFJGNJGENQTTIO-UHFFFAOYSA-N 2 0 367.331 3.813 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000513203718 941779349 /nfs/dbraw/zinc/77/93/49/941779349.db2.gz IYOVIYLXICGJTG-GHTZIAJQSA-N 2 0 365.606 3.509 20 0 FHADRP FC(F)(F)c1ccc(C[C@@]2([NH2+]CCC[NH+]3CCCCC3)CCOC2)cc1 ZINC000513215702 941785488 /nfs/dbraw/zinc/78/54/88/941785488.db2.gz PYPKVRZFITXRTE-IBGZPJMESA-N 2 0 370.459 3.873 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415394003 941802166 /nfs/dbraw/zinc/80/21/66/941802166.db2.gz PVHPDNUYGVISBU-HXUWFJFHSA-N 2 0 372.557 3.615 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000509916211 941804481 /nfs/dbraw/zinc/80/44/81/941804481.db2.gz WGHAFIQIXDPPQO-INIZCTEOSA-N 2 0 362.468 3.670 20 0 FHADRP C[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377628020 941854709 /nfs/dbraw/zinc/85/47/09/941854709.db2.gz QBBRQGXGVKENQW-IAGOWNOFSA-N 2 0 369.475 3.726 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000513329562 941855624 /nfs/dbraw/zinc/85/56/24/941855624.db2.gz DWBBIHNVBNXXQM-UHFFFAOYSA-N 2 0 363.512 3.751 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000513332349 941857730 /nfs/dbraw/zinc/85/77/30/941857730.db2.gz ZXCHXBIYFHLSOU-IEBWSBKVSA-N 2 0 364.603 3.911 20 0 FHADRP CC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000377633558 941858014 /nfs/dbraw/zinc/85/80/14/941858014.db2.gz VGFJFVTZNIWTST-UHFFFAOYSA-N 2 0 363.509 3.566 20 0 FHADRP c1ccc(Oc2ccc3[nH+]ccc(N4CCN5CCOC[C@H]5C4)c3c2)cc1 ZINC000433769236 941875259 /nfs/dbraw/zinc/87/52/59/941875259.db2.gz RPBSUYWOBGIFDK-QGZVFWFLSA-N 2 0 361.445 3.548 20 0 FHADRP CC(C)[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377708369 941916773 /nfs/dbraw/zinc/91/67/73/941916773.db2.gz XIKZSVSBLDZHDF-KORDQABASA-N 2 0 355.570 3.669 20 0 FHADRP CC(C)c1nn(C)c(Cl)c1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377711439 941922154 /nfs/dbraw/zinc/92/21/54/941922154.db2.gz ZSHYDIPMEVOJOG-UHFFFAOYSA-N 2 0 361.921 3.693 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(-c4ccccc4C)c3)C2)CC1 ZINC000093133043 941941222 /nfs/dbraw/zinc/94/12/22/941941222.db2.gz MSDBBWLSYSKIHP-QHCPKHFHSA-N 2 0 363.549 3.874 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000513471187 941951165 /nfs/dbraw/zinc/95/11/65/941951165.db2.gz KFDXWQBOQPIFEW-UHFFFAOYSA-N 2 0 371.500 3.659 20 0 FHADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([S@](C)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000513512675 941983890 /nfs/dbraw/zinc/98/38/90/941983890.db2.gz PHWXXSDHRPVNGO-OFUUFJSKSA-N 2 0 370.562 3.814 20 0 FHADRP COc1ccccc1-n1nccc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000430027757 941992843 /nfs/dbraw/zinc/99/28/43/941992843.db2.gz OEERRXKIKXWVAA-UHFFFAOYSA-N 2 0 370.541 3.729 20 0 FHADRP CC[C@]1(C[NH2+]C2CCN(Cc3ccncc3)CC2)OCCc2ccccc21 ZINC000377798592 941995923 /nfs/dbraw/zinc/99/59/23/941995923.db2.gz KJNHGUCBBSPQKR-HSZRJFAPSA-N 2 0 365.521 3.514 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000433955511 942016325 /nfs/dbraw/zinc/01/63/25/942016325.db2.gz OIKIRTLSTYMHGK-KDXIVRHGSA-N 2 0 374.573 3.756 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000433956982 942016532 /nfs/dbraw/zinc/01/65/32/942016532.db2.gz GKIAVDAQTBXVMY-HLRQEUIKSA-N 2 0 374.573 3.756 20 0 FHADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000513612991 942038790 /nfs/dbraw/zinc/03/87/90/942038790.db2.gz KYPLBNXRTQLVTA-KDURUIRLSA-N 2 0 368.521 3.908 20 0 FHADRP Cc1noc(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000513655723 942058329 /nfs/dbraw/zinc/05/83/29/942058329.db2.gz NYLFQFGOXHCEIC-PCCBWWKXSA-N 2 0 368.525 3.591 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000415915031 942138883 /nfs/dbraw/zinc/13/88/83/942138883.db2.gz CPVZBRAKVKASJH-LJQANCHMSA-N 2 0 358.530 3.526 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)CC1)CC1CC1 ZINC000415931613 942157771 /nfs/dbraw/zinc/15/77/71/942157771.db2.gz MLQUWCVREWERIR-UHFFFAOYSA-N 2 0 372.557 3.772 20 0 FHADRP C[C@@H]1C[C@@H](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000501994302 942159502 /nfs/dbraw/zinc/15/95/02/942159502.db2.gz MPVXPSSHTRENKV-FCEUIQTBSA-N 2 0 371.569 3.668 20 0 FHADRP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415929992 942165974 /nfs/dbraw/zinc/16/59/74/942165974.db2.gz IDSFOAQDOTUYLL-UHFFFAOYSA-N 2 0 360.546 3.916 20 0 FHADRP CCN(C(=O)Nc1cccc(C[NH2+]C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415939144 942169936 /nfs/dbraw/zinc/16/99/36/942169936.db2.gz ZZNVXCBISQPRHI-OAQYLSRUSA-N 2 0 366.509 3.534 20 0 FHADRP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)c2cccs2)CC1 ZINC000415953463 942196159 /nfs/dbraw/zinc/19/61/59/942196159.db2.gz GZIZVDXDMIIMGS-SFHVURJKSA-N 2 0 372.538 3.802 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000415967297 942206377 /nfs/dbraw/zinc/20/63/77/942206377.db2.gz BCVSUMIZRCBLFF-UTKZUKDTSA-N 2 0 366.509 3.581 20 0 FHADRP CC1CC[NH+]([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)c2ccccc2)CC1 ZINC000415973674 942211749 /nfs/dbraw/zinc/21/17/49/942211749.db2.gz JVESBARTQMJJFD-OAQYLSRUSA-N 2 0 366.509 3.740 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415991197 942241505 /nfs/dbraw/zinc/24/15/05/942241505.db2.gz OUUVQKOHBNWNND-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000500987867 942247665 /nfs/dbraw/zinc/24/76/65/942247665.db2.gz ALJGSHPDFAYEKI-DEOSSOPVSA-N 2 0 365.565 3.814 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415999228 942249655 /nfs/dbraw/zinc/24/96/55/942249655.db2.gz VADKAPKKYSCVCU-KRWDZBQOSA-N 2 0 370.541 3.798 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccc(Cl)c3ccccc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000420931712 942261001 /nfs/dbraw/zinc/26/10/01/942261001.db2.gz GVLJAHINBJLQEM-JTSKRJEESA-N 2 0 371.956 3.951 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000416019137 942267058 /nfs/dbraw/zinc/26/70/58/942267058.db2.gz WYEWHCPUBOWXPX-QFIPXVFZSA-N 2 0 366.509 3.582 20 0 FHADRP Cn1cc(Cl)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000420955526 942274985 /nfs/dbraw/zinc/27/49/85/942274985.db2.gz XTBOBPOVWJBDGE-UHFFFAOYSA-N 2 0 358.917 3.562 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](OC(C)C)c3ccccc3)CC2)CC1 ZINC000420980488 942280045 /nfs/dbraw/zinc/28/00/45/942280045.db2.gz LTDWSPHIIGYAFM-QHCPKHFHSA-N 2 0 373.585 3.645 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)nc4ccccc34)CC2)CC1 ZINC000420986391 942282685 /nfs/dbraw/zinc/28/26/85/942282685.db2.gz YGTORIAGXMICEW-UHFFFAOYSA-N 2 0 366.553 3.535 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000420975419 942287138 /nfs/dbraw/zinc/28/71/38/942287138.db2.gz FXYZZLZRAAITAP-QFIPXVFZSA-N 2 0 359.533 3.695 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000502388492 942399452 /nfs/dbraw/zinc/39/94/52/942399452.db2.gz FFRVVKVNBVTSOB-QFIPXVFZSA-N 2 0 372.553 3.643 20 0 FHADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502404420 942408254 /nfs/dbraw/zinc/40/82/54/942408254.db2.gz GOQORGYDJSYZIC-QGZVFWFLSA-N 2 0 353.514 3.960 20 0 FHADRP CCCC[C@H](C[NH3+])NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414818831 942408372 /nfs/dbraw/zinc/40/83/72/942408372.db2.gz WTFMAOJXTSJKNY-QGZVFWFLSA-N 2 0 354.420 3.557 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000549402944 942420927 /nfs/dbraw/zinc/42/09/27/942420927.db2.gz HEQUTNNHQSMMLJ-UHFFFAOYSA-N 2 0 354.542 3.949 20 0 FHADRP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513713229 942446763 /nfs/dbraw/zinc/44/67/63/942446763.db2.gz MMNOSDOEEFSGIU-GBESFXJTSA-N 2 0 370.459 3.846 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501417358 942458434 /nfs/dbraw/zinc/45/84/34/942458434.db2.gz CSDFMQCRJTTXQD-FPOVZHCZSA-N 2 0 353.510 3.838 20 0 FHADRP C[NH+](C)[C@@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000416188318 942463256 /nfs/dbraw/zinc/46/32/56/942463256.db2.gz IGQVDBCDYCTTJM-QFIPXVFZSA-N 2 0 365.521 3.956 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501468686 942490178 /nfs/dbraw/zinc/49/01/78/942490178.db2.gz CLDMXQVYCFMSCB-RBBKRZOGSA-N 2 0 367.537 3.881 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1)C1CC1 ZINC000505366958 942505131 /nfs/dbraw/zinc/50/51/31/942505131.db2.gz QUDJYOISDMVOIA-UHFFFAOYSA-N 2 0 359.558 3.862 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421367580 942519216 /nfs/dbraw/zinc/51/92/16/942519216.db2.gz FCHQSLKSPROYET-UHFFFAOYSA-N 2 0 354.542 3.819 20 0 FHADRP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421368521 942519906 /nfs/dbraw/zinc/51/99/06/942519906.db2.gz GJHITHCPZVLDKA-ZLPCBKJTSA-N 2 0 365.949 3.539 20 0 FHADRP c1ccc2c(c1)cccc2OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817922 942536023 /nfs/dbraw/zinc/53/60/23/942536023.db2.gz RSEUNFXVMSPUGZ-UHFFFAOYSA-N 2 0 368.521 3.653 20 0 FHADRP CC[C@H](C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1)CC(F)(F)F ZINC000414518540 942570646 /nfs/dbraw/zinc/57/06/46/942570646.db2.gz VBYXPDRCFCNVHX-INIZCTEOSA-N 2 0 357.464 3.897 20 0 FHADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909465 942601771 /nfs/dbraw/zinc/60/17/71/942601771.db2.gz NKSKROPJKSUSMR-WOJBJXKFSA-N 2 0 359.558 3.524 20 0 FHADRP CCc1csc([C@@H]2CCC[N@H+](C[C@@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323066 942608347 /nfs/dbraw/zinc/60/83/47/942608347.db2.gz TVMHGLYSKMLBLT-IAGOWNOFSA-N 2 0 359.539 3.636 20 0 FHADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420301806 942611152 /nfs/dbraw/zinc/61/11/52/942611152.db2.gz AZPUBNFRYBIPJA-NQIIRXRSSA-N 2 0 351.494 3.736 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(CN2CC[C@@](C)(C[NH3+])C2)on1 ZINC000420315352 942617797 /nfs/dbraw/zinc/61/77/97/942617797.db2.gz LXGYNSOSRIOGIV-NRFANRHFSA-N 2 0 351.450 3.674 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000420316451 942619219 /nfs/dbraw/zinc/61/92/19/942619219.db2.gz YECXVXLDWXIXOG-SNRMKQJTSA-N 2 0 363.461 3.673 20 0 FHADRP Fc1cccc(F)c1-c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420319496 942620118 /nfs/dbraw/zinc/62/01/18/942620118.db2.gz AEYGZMPYGPSBOD-ZIAGYGMSSA-N 2 0 363.477 3.910 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000420378735 942645578 /nfs/dbraw/zinc/64/55/78/942645578.db2.gz UOIZSSNRBSJPGA-CJNGLKHVSA-N 2 0 350.409 3.690 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000420383426 942647796 /nfs/dbraw/zinc/64/77/96/942647796.db2.gz ZRKYQUYPEIVGPA-WBVHZDCISA-N 2 0 356.432 3.792 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000501745662 942648013 /nfs/dbraw/zinc/64/80/13/942648013.db2.gz WUAGBJDSGBFDLZ-FQEVSTJZSA-N 2 0 373.541 3.754 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)C1 ZINC000420384809 942649026 /nfs/dbraw/zinc/64/90/26/942649026.db2.gz GVIHOLMJTQZKAA-RHSMWYFYSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000420388632 942650361 /nfs/dbraw/zinc/65/03/61/942650361.db2.gz LRBZGAYDOXFEDD-WMZOPIPTSA-N 2 0 354.947 3.650 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000420395488 942653834 /nfs/dbraw/zinc/65/38/34/942653834.db2.gz DLJGKQZBUMPMTR-UXPWSPDFSA-N 2 0 360.885 3.511 20 0 FHADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420375633 942655788 /nfs/dbraw/zinc/65/57/88/942655788.db2.gz JECLKAHOMHVPAY-JEBQAFNWSA-N 2 0 354.441 3.567 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420418586 942658152 /nfs/dbraw/zinc/65/81/52/942658152.db2.gz WYYMWBCTNAOOQR-JVPBZIDWSA-N 2 0 353.913 3.592 20 0 FHADRP CN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416331120 942670930 /nfs/dbraw/zinc/67/09/30/942670930.db2.gz APAOCPCHIMVKTB-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccnc(OC)c2)ccc1OC ZINC000182317127 942715211 /nfs/dbraw/zinc/71/52/11/942715211.db2.gz POFVTEPBEXJWBA-INIZCTEOSA-N 2 0 357.498 3.791 20 0 FHADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000514106163 942750442 /nfs/dbraw/zinc/75/04/42/942750442.db2.gz WIZMEBBCTYBACL-KAOXLYBCSA-N 3 0 355.570 3.609 20 0 FHADRP COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000514118219 942767645 /nfs/dbraw/zinc/76/76/45/942767645.db2.gz GLBQOELHAMPNNX-UHFFFAOYSA-N 2 0 351.494 3.578 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000514136804 942774870 /nfs/dbraw/zinc/77/48/70/942774870.db2.gz BBPTUJVCUAWINN-PZJWPPBQSA-N 2 0 374.573 3.552 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000182752917 942783535 /nfs/dbraw/zinc/78/35/35/942783535.db2.gz FSRSANIQVFYGQQ-HXUWFJFHSA-N 2 0 354.485 3.832 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1)C1CC1 ZINC000502848383 942794366 /nfs/dbraw/zinc/79/43/66/942794366.db2.gz UECVZPHNDLTLCF-UHFFFAOYSA-N 2 0 357.542 3.665 20 0 FHADRP CC(=O)N1CC[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)c2ccccc2C1 ZINC000378493357 942825345 /nfs/dbraw/zinc/82/53/45/942825345.db2.gz IPOJFZMEGKMSQZ-JOCHJYFZSA-N 2 0 357.542 3.582 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C3(OC)CCCC3)CC2)cc1 ZINC000421825995 942833936 /nfs/dbraw/zinc/83/39/36/942833936.db2.gz QKYABLNFIHYPKD-GOSISDBHSA-N 2 0 360.542 3.845 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccncc1Cl ZINC000421818395 942845224 /nfs/dbraw/zinc/84/52/24/942845224.db2.gz AQLKLLJVSRAAJE-UTKZUKDTSA-N 2 0 372.944 3.764 20 0 FHADRP OC1(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000421848228 942858767 /nfs/dbraw/zinc/85/87/67/942858767.db2.gz AEPQQUKEXMVYHA-BHIFYINESA-N 2 0 356.554 3.962 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000421890656 942867347 /nfs/dbraw/zinc/86/73/47/942867347.db2.gz YCQDJNUZSPUILQ-OTGCGEFBSA-N 2 0 350.934 3.893 20 0 FHADRP C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000378556423 942887567 /nfs/dbraw/zinc/88/75/67/942887567.db2.gz ZZJQPJPZMHTNNF-RBUKOAKNSA-N 2 0 369.475 3.611 20 0 FHADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414572507 943001380 /nfs/dbraw/zinc/00/13/80/943001380.db2.gz XBTWYGZBNPXFOH-MRXNPFEDSA-N 2 0 366.484 3.902 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414859265 943061857 /nfs/dbraw/zinc/06/18/57/943061857.db2.gz TYJFAZMMOZXWOJ-JTQLQIEISA-N 2 0 351.210 3.557 20 0 FHADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000271861045 943062366 /nfs/dbraw/zinc/06/23/66/943062366.db2.gz KMQCDBFXDXUDCC-LPHOPBHVSA-N 2 0 362.489 3.686 20 0 FHADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000271886402 943065694 /nfs/dbraw/zinc/06/56/94/943065694.db2.gz QUFSUOFBAYTKIC-LLVKDONJSA-N 2 0 362.367 3.802 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000414649221 943086384 /nfs/dbraw/zinc/08/63/84/943086384.db2.gz CDJJZAALPMGKRB-UHFFFAOYSA-N 2 0 360.505 3.769 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414651317 943097698 /nfs/dbraw/zinc/09/76/98/943097698.db2.gz BXRHDKDHZJBQLT-IAGOWNOFSA-N 2 0 353.514 3.619 20 0 FHADRP C[NH+](C)[C@@H]1CCOc2c(NC3CC[NH+](Cc4ccccn4)CC3)cccc21 ZINC000435025817 943110651 /nfs/dbraw/zinc/11/06/51/943110651.db2.gz XPUYKSVULHEKEB-OAQYLSRUSA-N 2 0 366.509 3.543 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663852 943150965 /nfs/dbraw/zinc/15/09/65/943150965.db2.gz RYBAPJOXWVAUEB-YJBOKZPZSA-N 2 0 358.457 3.582 20 0 FHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414667242 943170417 /nfs/dbraw/zinc/17/04/17/943170417.db2.gz XYRRBQRPAAHCBX-NRFANRHFSA-N 2 0 363.509 3.740 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000514670439 943203573 /nfs/dbraw/zinc/20/35/73/943203573.db2.gz DATOREPQCZNUEW-RTBURBONSA-N 2 0 373.928 3.785 20 0 FHADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000514670438 943203974 /nfs/dbraw/zinc/20/39/74/943203974.db2.gz DATOREPQCZNUEW-RBUKOAKNSA-N 2 0 373.928 3.785 20 0 FHADRP CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744175 943215998 /nfs/dbraw/zinc/21/59/98/943215998.db2.gz SURFTKSEHLSUGK-IRFCIJBXSA-N 2 0 371.569 3.666 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272800357 943224056 /nfs/dbraw/zinc/22/40/56/943224056.db2.gz BFAOUWIFTCREOX-LJQANCHMSA-N 2 0 361.549 3.637 20 0 FHADRP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422697994 943236016 /nfs/dbraw/zinc/23/60/16/943236016.db2.gz XDPDWRJRDHJDQH-FYYLOGMGSA-N 2 0 366.505 3.959 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422698740 943237093 /nfs/dbraw/zinc/23/70/93/943237093.db2.gz AUAAIUQNIIHXKP-USXIJHARSA-N 2 0 350.890 3.512 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706847 943241324 /nfs/dbraw/zinc/24/13/24/943241324.db2.gz GEKBCOSVEMBFCM-ZDFPQIBNSA-N 2 0 371.569 3.733 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706654 943241353 /nfs/dbraw/zinc/24/13/53/943241353.db2.gz FRSLSMMNSASFOQ-XLIONFOSSA-N 2 0 355.457 3.685 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000422694104 943247271 /nfs/dbraw/zinc/24/72/71/943247271.db2.gz NOLAUCBUWMNYHW-UHFFFAOYSA-N 2 0 355.482 3.880 20 0 FHADRP c1ccc(OCc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422729990 943248303 /nfs/dbraw/zinc/24/83/03/943248303.db2.gz IWUNOQASBBFJLD-XPWALMASSA-N 2 0 366.505 3.512 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422729667 943248894 /nfs/dbraw/zinc/24/88/94/943248894.db2.gz IGCFJTDRNPASAS-HNNXBMFYSA-N 2 0 366.933 3.529 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)CC[NH2+]CC1 ZINC000422735506 943251549 /nfs/dbraw/zinc/25/15/49/943251549.db2.gz DYWVDCKSCWIJRW-QGZVFWFLSA-N 2 0 371.525 3.504 20 0 FHADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422735857 943251845 /nfs/dbraw/zinc/25/18/45/943251845.db2.gz FJVKPBNVSJWUQJ-IERDGZPVSA-N 2 0 371.550 3.829 20 0 FHADRP Clc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1Cl ZINC000422737014 943252407 /nfs/dbraw/zinc/25/24/07/943252407.db2.gz WWURWAHJQBMSFE-SJPCQFCGSA-N 2 0 368.352 3.830 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422714445 943254345 /nfs/dbraw/zinc/25/43/45/943254345.db2.gz QZNSQQWZVCXFJV-DNVCBOLYSA-N 2 0 369.475 3.648 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1)c1ccco1 ZINC000422718153 943255904 /nfs/dbraw/zinc/25/59/04/943255904.db2.gz PFJQJJPQQWFRFN-SLFFLAALSA-N 2 0 367.493 3.932 20 0 FHADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422722624 943259134 /nfs/dbraw/zinc/25/91/34/943259134.db2.gz PNHRDASDWDNLRS-BHDDXSALSA-N 2 0 359.533 3.691 20 0 FHADRP CC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OC)cc1 ZINC000422753773 943272955 /nfs/dbraw/zinc/27/29/55/943272955.db2.gz DEVAYKQWFLASBL-JAXLGGSGSA-N 2 0 352.478 3.992 20 0 FHADRP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422755472 943273844 /nfs/dbraw/zinc/27/38/44/943273844.db2.gz HYQFOJZAWSAELO-AFXVXQJMSA-N 2 0 371.569 3.733 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754878 943274135 /nfs/dbraw/zinc/27/41/35/943274135.db2.gz GGTODWGUWMMZIE-CHWSQXEVSA-N 2 0 373.324 3.965 20 0 FHADRP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768282 943275490 /nfs/dbraw/zinc/27/54/90/943275490.db2.gz RXXXUEOASCRAGR-PXNSSMCTSA-N 2 0 358.869 3.694 20 0 FHADRP Clc1cnc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000422778882 943280142 /nfs/dbraw/zinc/28/01/42/943280142.db2.gz HWZWTWAVSAFPIA-FVQBIDKESA-N 2 0 357.329 3.701 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422781537 943280938 /nfs/dbraw/zinc/28/09/38/943280938.db2.gz FFVIDRUALBUZHC-JLTOFOAXSA-N 2 0 360.885 3.918 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCCO2)cc1 ZINC000422783192 943281578 /nfs/dbraw/zinc/28/15/78/943281578.db2.gz MVMOHNMXKGNGEE-XBYSBRQOSA-N 2 0 364.489 3.752 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000422804859 943289106 /nfs/dbraw/zinc/28/91/06/943289106.db2.gz GAVXAVJGXQEXBM-JTQLQIEISA-N 2 0 352.251 3.601 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000422811770 943291536 /nfs/dbraw/zinc/29/15/36/943291536.db2.gz WRYLXIWZCMLQKT-GOSISDBHSA-N 3 0 366.553 3.931 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C[C@@H](C)O1 ZINC000422813971 943292816 /nfs/dbraw/zinc/29/28/16/943292816.db2.gz SRUXQKINGFJVAB-IEGYKGNPSA-N 3 0 365.521 3.530 20 0 FHADRP Cc1ccc([C@H]([NH2+][C@@H](C)CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422792972 943294637 /nfs/dbraw/zinc/29/46/37/943294637.db2.gz FILCSPZXZOKILR-UWJYYQICSA-N 2 0 374.550 3.595 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCc1cccc2cccnc21 ZINC000422819793 943295782 /nfs/dbraw/zinc/29/57/82/943295782.db2.gz OEJIHGDQECZMBP-NZQKXSOJSA-N 2 0 359.473 3.623 20 0 FHADRP COc1ccc([C@@H](NC2CC[NH+](C3CCCCC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422824150 943296297 /nfs/dbraw/zinc/29/62/97/943296297.db2.gz NECOCMIFOKQBIK-DHIUTWEWSA-N 2 0 371.569 3.875 20 0 FHADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828859 943297143 /nfs/dbraw/zinc/29/71/43/943297143.db2.gz BNJRPZQZGLDKLH-AYWYSENESA-N 2 0 361.599 3.861 20 0 FHADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422830891 943299109 /nfs/dbraw/zinc/29/91/09/943299109.db2.gz DGTAREKKCHASMR-HSALFYBXSA-N 2 0 357.542 3.564 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422818664 943303154 /nfs/dbraw/zinc/30/31/54/943303154.db2.gz GVBMVHAHAPJXSZ-YOEHRIQHSA-N 2 0 352.906 3.702 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000422847598 943303752 /nfs/dbraw/zinc/30/37/52/943303752.db2.gz ILHQMMANGNXEMO-NNMXDRDESA-N 2 0 350.462 3.746 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422860920 943308828 /nfs/dbraw/zinc/30/88/28/943308828.db2.gz NEPPFXCDIUAOSO-IPMKNSEASA-N 2 0 360.542 3.882 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422861551 943309665 /nfs/dbraw/zinc/30/96/65/943309665.db2.gz OJJQSAXGADFTOA-VQIMIIECSA-N 2 0 356.510 3.530 20 0 FHADRP [NH3+]CC1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000422842850 943311717 /nfs/dbraw/zinc/31/17/17/943311717.db2.gz GQDPAZKBAYBQOS-JTTJXQCZSA-N 2 0 353.913 3.723 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000422879019 943314236 /nfs/dbraw/zinc/31/42/36/943314236.db2.gz JZKNZCARECRLDN-RJGXRXQPSA-N 2 0 366.505 3.512 20 0 FHADRP c1ccc(COc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422879018 943314464 /nfs/dbraw/zinc/31/44/64/943314464.db2.gz JZKNZCARECRLDN-DNVJHFABSA-N 2 0 366.505 3.512 20 0 FHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422881169 943314936 /nfs/dbraw/zinc/31/49/36/943314936.db2.gz PRVFBFYVWHGTRU-BHIFYINESA-N 2 0 374.569 3.746 20 0 FHADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422880123 943315054 /nfs/dbraw/zinc/31/50/54/943315054.db2.gz NFVUCAHBEVYLNO-VBSBHUPXSA-N 2 0 361.961 3.985 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000422891865 943315103 /nfs/dbraw/zinc/31/51/03/943315103.db2.gz LSVZQDSWRMRMAD-ZIFCJYIRSA-N 2 0 364.530 3.682 20 0 FHADRP CCC[C@@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000422881900 943315819 /nfs/dbraw/zinc/31/58/19/943315819.db2.gz ZOBPMRYBDDCQND-KBXCAEBGSA-N 2 0 368.468 3.717 20 0 FHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422889273 943319055 /nfs/dbraw/zinc/31/90/55/943319055.db2.gz PFHGGXSPUONGBX-GMAHTHKFSA-N 2 0 361.489 3.946 20 0 FHADRP COc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422890157 943319792 /nfs/dbraw/zinc/31/97/92/943319792.db2.gz RKHJDFYCLOXZAE-PZJWPPBQSA-N 2 0 372.896 3.737 20 0 FHADRP [NH3+]CC1CCC([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000422890973 943320333 /nfs/dbraw/zinc/32/03/33/943320333.db2.gz JUXQVNVYXBELIH-UHFFFAOYSA-N 2 0 355.457 3.685 20 0 FHADRP CCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869439 943321006 /nfs/dbraw/zinc/32/10/06/943321006.db2.gz AAOAUPQLGLDGQP-SIKLNZKXSA-N 2 0 352.478 3.739 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCOCC1 ZINC000422901969 943325393 /nfs/dbraw/zinc/32/53/93/943325393.db2.gz MALPBOKBHHPIGL-MSOLQXFVSA-N 2 0 366.933 3.646 20 0 FHADRP Cc1csc(CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422906297 943326607 /nfs/dbraw/zinc/32/66/07/943326607.db2.gz JNEKCBDNXMFMLH-XLIONFOSSA-N 2 0 357.523 3.620 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1OC ZINC000422905676 943326623 /nfs/dbraw/zinc/32/66/23/943326623.db2.gz IPBRDYSSKLAZLA-JGUMPVPUSA-N 2 0 366.505 3.860 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422909896 943327901 /nfs/dbraw/zinc/32/79/01/943327901.db2.gz PIBAJBZALMDSDM-OFNKIYASSA-N 3 0 357.586 3.699 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCC3)cc1 ZINC000422913749 943329495 /nfs/dbraw/zinc/32/94/95/943329495.db2.gz ZHZKDGOOTDJJAG-RDJZCZTQSA-N 2 0 357.523 3.928 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422894206 943331009 /nfs/dbraw/zinc/33/10/09/943331009.db2.gz BPEGPGRPDJSFHC-JKSUJKDBSA-N 2 0 358.482 3.713 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CCOCC2)cc1 ZINC000422895765 943331464 /nfs/dbraw/zinc/33/14/64/943331464.db2.gz GNTRVPPPDXWOFS-ICSRJNTNSA-N 2 0 360.542 3.644 20 0 FHADRP Cc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422894611 943331621 /nfs/dbraw/zinc/33/16/21/943331621.db2.gz CMLRDZNCFVKGHB-BHIFYINESA-N 2 0 356.554 3.944 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422964372 943342905 /nfs/dbraw/zinc/34/29/05/943342905.db2.gz LJZWDHKAZZSMNX-YPAWHYETSA-N 2 0 352.526 3.624 20 0 FHADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422949364 943346017 /nfs/dbraw/zinc/34/60/17/943346017.db2.gz TWHZQQBIDYCCOZ-ZTFGCOKTSA-N 2 0 366.347 3.525 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000422947907 943346137 /nfs/dbraw/zinc/34/61/37/943346137.db2.gz QUDAJEQPRWYHBH-IRXDYDNUSA-N 2 0 355.320 3.634 20 0 FHADRP FC(F)Oc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422949831 943346990 /nfs/dbraw/zinc/34/69/90/943346990.db2.gz WSTQKDWWIYXOGF-YLJYHZDGSA-N 2 0 360.404 3.634 20 0 FHADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccc(Br)cc1 ZINC000422953340 943348041 /nfs/dbraw/zinc/34/80/41/943348041.db2.gz FHRAELSYCRNWKI-SQPSOYEMSA-N 2 0 355.345 3.802 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952914 943348218 /nfs/dbraw/zinc/34/82/18/943348218.db2.gz CPXYVHDBXZGGLA-CWFSZBLJSA-N 2 0 358.457 3.768 20 0 FHADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Sc1ccc(Br)cc1 ZINC000422953665 943348669 /nfs/dbraw/zinc/34/86/69/943348669.db2.gz FZNYQRPCGOEDOZ-ZENOOKHLSA-N 2 0 357.361 3.907 20 0 FHADRP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422957434 943349387 /nfs/dbraw/zinc/34/93/87/943349387.db2.gz UBSSXRXAUSMEBE-VAMGGRTRSA-N 2 0 353.510 3.904 20 0 FHADRP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000422960731 943350903 /nfs/dbraw/zinc/35/09/03/943350903.db2.gz XPACDCGNXJWXKB-XUVXKRRUSA-N 2 0 368.525 3.742 20 0 FHADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503745495 943352471 /nfs/dbraw/zinc/35/24/71/943352471.db2.gz ZWZSMVMZDYSXRX-UYAOXDASSA-N 2 0 374.573 3.680 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422969986 943353793 /nfs/dbraw/zinc/35/37/93/943353793.db2.gz VOAPKTXRZCYBKC-SFHVURJKSA-N 3 0 366.553 3.931 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000422973522 943355252 /nfs/dbraw/zinc/35/52/52/943355252.db2.gz OYHQSEKKOCLWDK-OAHLLOKOSA-N 2 0 354.498 3.806 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000423015322 943365341 /nfs/dbraw/zinc/36/53/41/943365341.db2.gz QVQXNRAVFOKUKJ-IERDGZPVSA-N 2 0 354.494 3.521 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423016026 943365351 /nfs/dbraw/zinc/36/53/51/943365351.db2.gz SDPCIBFRLXBRIS-BXUZGUMPSA-N 2 0 365.827 3.500 20 0 FHADRP CCN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423019155 943365986 /nfs/dbraw/zinc/36/59/86/943365986.db2.gz UEUXDSHISCSBED-ZFLCWFNBSA-N 2 0 353.913 3.722 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017679 943366050 /nfs/dbraw/zinc/36/60/50/943366050.db2.gz PJGGTFLOQNZZQS-NXXSPTCGSA-N 2 0 363.864 3.822 20 0 FHADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423022359 943366961 /nfs/dbraw/zinc/36/69/61/943366961.db2.gz FCAIMLJUOONTBX-IFMALSPDSA-N 2 0 351.494 3.724 20 0 FHADRP CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000423021100 943367130 /nfs/dbraw/zinc/36/71/30/943367130.db2.gz DIICDBJJEZHEOT-UWJYYQICSA-N 2 0 371.550 3.829 20 0 FHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435381309 943369535 /nfs/dbraw/zinc/36/95/35/943369535.db2.gz WANPPBVHMPHMRU-WMZOPIPTSA-N 2 0 366.534 3.829 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)c2)CC1 ZINC000423031710 943372002 /nfs/dbraw/zinc/37/20/02/943372002.db2.gz VGLWEZWKTTWBJY-FCHUYYIVSA-N 2 0 350.510 3.774 20 0 FHADRP CCC(CC)(CNC(=O)N(C)CC[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC000503795133 943372515 /nfs/dbraw/zinc/37/25/15/943372515.db2.gz RUHCHZVPOGFECB-LJQANCHMSA-N 2 0 374.573 3.633 20 0 FHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423043026 943375034 /nfs/dbraw/zinc/37/50/34/943375034.db2.gz NATSFKHRLYMCRJ-IVOMFYJKSA-N 2 0 358.526 3.816 20 0 FHADRP CC(C)N1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043274 943375056 /nfs/dbraw/zinc/37/50/56/943375056.db2.gz OCHVWZXSIOPAOO-YUNSAGIJSA-N 2 0 351.485 3.596 20 0 FHADRP CC(C)N1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043272 943375264 /nfs/dbraw/zinc/37/52/64/943375264.db2.gz OCHVWZXSIOPAOO-PNQJHCTGSA-N 2 0 351.485 3.596 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000414714542 943377703 /nfs/dbraw/zinc/37/77/03/943377703.db2.gz QDWOAHBMTXVWJW-UHFFFAOYSA-N 2 0 358.530 3.654 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000423066988 943380805 /nfs/dbraw/zinc/38/08/05/943380805.db2.gz YKVVERQXFXXRRL-JTSKRJEESA-N 2 0 352.526 3.554 20 0 FHADRP C[C@H]([NH2+][C@@H](Cc1cccc(Br)c1)CC1CC1)[C@H]1CC[NH2+]C1 ZINC000423054306 943385035 /nfs/dbraw/zinc/38/50/35/943385035.db2.gz UGYWZPLYHBZXQJ-QANKJYHBSA-N 2 0 351.332 3.748 20 0 FHADRP CCCNc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423078664 943386495 /nfs/dbraw/zinc/38/64/95/943386495.db2.gz WLPOTIWGZFAIEI-IFMALSPDSA-N 2 0 351.494 3.854 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000414716784 943389597 /nfs/dbraw/zinc/38/95/97/943389597.db2.gz SXTABYASIWUKPL-LJQANCHMSA-N 2 0 358.530 3.796 20 0 FHADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423114418 943395819 /nfs/dbraw/zinc/39/58/19/943395819.db2.gz VPQHEVWQDJAANI-OJAWGZOXSA-N 2 0 353.510 3.851 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423114371 943396046 /nfs/dbraw/zinc/39/60/46/943396046.db2.gz VJEAUEIOSOCGGL-SGTLLEGYSA-N 2 0 368.308 3.930 20 0 FHADRP OCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423118838 943396656 /nfs/dbraw/zinc/39/66/56/943396656.db2.gz CJSIBHZARVKSNM-ZJOUEHCJSA-N 2 0 372.896 3.609 20 0 FHADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000423123145 943397758 /nfs/dbraw/zinc/39/77/58/943397758.db2.gz DGMTWZINNOKRNV-JXYHXMIBSA-N 2 0 352.453 3.917 20 0 FHADRP [NH3+]CC1CCC([NH2+]CCc2c[nH]c3cccc(Br)c23)CC1 ZINC000423123977 943398334 /nfs/dbraw/zinc/39/83/34/943398334.db2.gz NUADVSFEZDQAKA-UHFFFAOYSA-N 2 0 350.304 3.580 20 0 FHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000503884721 943401675 /nfs/dbraw/zinc/40/16/75/943401675.db2.gz IPOJLJGLABJMDK-UJWQCDCRSA-N 2 0 350.453 3.932 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104753 943401992 /nfs/dbraw/zinc/40/19/92/943401992.db2.gz MQAVCZREWWABFC-DNVJHFABSA-N 2 0 371.569 3.560 20 0 FHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000503884718 943402064 /nfs/dbraw/zinc/40/20/64/943402064.db2.gz IPOJLJGLABJMDK-RHQZKXFESA-N 2 0 350.453 3.932 20 0 FHADRP C[C@@H](Cc1ccccc1)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421145 943402163 /nfs/dbraw/zinc/40/21/63/943402163.db2.gz IAAANJPFEUKBJX-HKUYNNGSSA-N 2 0 355.551 3.966 20 0 FHADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000423146822 943408070 /nfs/dbraw/zinc/40/80/70/943408070.db2.gz BDMOFUMVFMQTQF-RTBURBONSA-N 2 0 370.493 3.770 20 0 FHADRP Fc1ccc(CC2([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000423154059 943411906 /nfs/dbraw/zinc/41/19/06/943411906.db2.gz IPEWAMDIYNYWHG-SIKLNZKXSA-N 2 0 352.453 3.746 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000503933077 943423836 /nfs/dbraw/zinc/42/38/36/943423836.db2.gz WBXKRMFMBSTBBJ-SFHVURJKSA-N 2 0 366.933 3.719 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)c3ccccc23)CC[NH2+]CC1 ZINC000423171402 943425057 /nfs/dbraw/zinc/42/50/57/943425057.db2.gz OHZXZWMTTQSGRI-KRWDZBQOSA-N 2 0 354.494 3.559 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177370 943427985 /nfs/dbraw/zinc/42/79/85/943427985.db2.gz HJBVHMJWIREAHV-KBPBESRZSA-N 2 0 354.473 3.761 20 0 FHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423178866 943429001 /nfs/dbraw/zinc/42/90/01/943429001.db2.gz IVKSYSDZACXGAV-MDFGKDKASA-N 2 0 364.489 3.644 20 0 FHADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423192287 943436941 /nfs/dbraw/zinc/43/69/41/943436941.db2.gz UJEZMNVFEMECNC-OAHLLOKOSA-N 2 0 368.363 3.521 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423264570 943455679 /nfs/dbraw/zinc/45/56/79/943455679.db2.gz ABOCIVGOFRZCJD-RIFZZMRRSA-N 2 0 364.555 3.571 20 0 FHADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266555 943456185 /nfs/dbraw/zinc/45/61/85/943456185.db2.gz DHUPPXPNYAJWMX-WDEREUQCSA-N 2 0 365.827 3.521 20 0 FHADRP Brc1cccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CCOCC2)c1 ZINC000423241618 943456284 /nfs/dbraw/zinc/45/62/84/943456284.db2.gz DLHALTTUMPGMPV-RDTXWAMCSA-N 2 0 367.331 3.506 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423243084 943456898 /nfs/dbraw/zinc/45/68/98/943456898.db2.gz GEECDTHWFACFOZ-AVRDEDQJSA-N 2 0 354.494 3.577 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423260504 943462673 /nfs/dbraw/zinc/46/26/73/943462673.db2.gz QFQCJAICUZJMRV-XJKSGUPXSA-N 2 0 353.304 3.642 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000423293465 943466005 /nfs/dbraw/zinc/46/60/05/943466005.db2.gz RKKLDXSSFKFLDK-CABCVRRESA-N 2 0 352.482 3.841 20 0 FHADRP C[C@H](CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000515052898 943476465 /nfs/dbraw/zinc/47/64/65/943476465.db2.gz OBGBDMDVMCXVIU-GIVPXCGWSA-N 2 0 354.542 3.947 20 0 FHADRP CC1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC[NH2+]CC1 ZINC000423330846 943481963 /nfs/dbraw/zinc/48/19/63/943481963.db2.gz NWFAZOHMQBIOQK-AWEZNQCLSA-N 2 0 355.345 3.965 20 0 FHADRP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414736212 943485493 /nfs/dbraw/zinc/48/54/93/943485493.db2.gz MUHSBEHYAJCHTJ-QWHCGFSZSA-N 2 0 358.313 3.642 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000423353605 943487694 /nfs/dbraw/zinc/48/76/94/943487694.db2.gz MADQGQCLUKALCK-QGZVFWFLSA-N 2 0 351.494 3.987 20 0 FHADRP COCCC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423357890 943490513 /nfs/dbraw/zinc/49/05/13/943490513.db2.gz IVARJNZVTWCHIA-SJORKVTESA-N 2 0 355.320 3.649 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)[NH+]2CCCC2)cc1 ZINC000423360303 943491204 /nfs/dbraw/zinc/49/12/04/943491204.db2.gz QKEGWLRPCUYMNE-LAUBAEHRSA-N 2 0 351.494 3.582 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2sc(Cc3ccccc3)nc2C)CC[NH2+]CC1 ZINC000423395657 943500564 /nfs/dbraw/zinc/50/05/64/943500564.db2.gz AMKAKOPXKZOHCD-INIZCTEOSA-N 2 0 373.566 3.709 20 0 FHADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423395357 943500805 /nfs/dbraw/zinc/50/08/05/943500805.db2.gz SPMDHLPJJNKEIG-AOIWGVFYSA-N 2 0 364.493 3.704 20 0 FHADRP Clc1ccccc1C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCO1 ZINC000423402187 943507685 /nfs/dbraw/zinc/50/76/85/943507685.db2.gz WMPMEGNZFTVQCR-NHCUHLMSSA-N 2 0 356.897 3.823 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000423404115 943508075 /nfs/dbraw/zinc/50/80/75/943508075.db2.gz IMMMBNABEVJRIB-OARUMGJZSA-N 2 0 363.505 3.632 20 0 FHADRP COCC1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[NH2+]CC1 ZINC000423406415 943508672 /nfs/dbraw/zinc/50/86/72/943508672.db2.gz KSFBZRYEPAEWMF-KRWDZBQOSA-N 2 0 372.431 3.642 20 0 FHADRP COCC1(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423409123 943509860 /nfs/dbraw/zinc/50/98/60/943509860.db2.gz POQMZBXXQUNBEI-INIZCTEOSA-N 2 0 354.947 3.873 20 0 FHADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)CC[NH2+]CC1 ZINC000423412875 943510435 /nfs/dbraw/zinc/51/04/35/943510435.db2.gz XKWNUAYXCHOOCC-CZUORRHYSA-N 2 0 367.331 3.603 20 0 FHADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000423413569 943510522 /nfs/dbraw/zinc/51/05/22/943510522.db2.gz ZMFLZZLWHIOOBW-MRXNPFEDSA-N 2 0 373.310 3.645 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423413058 943510989 /nfs/dbraw/zinc/51/09/89/943510989.db2.gz XXFJJERRSJLBDM-MJGOQNOKSA-N 2 0 350.934 3.657 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cccc(OCC[NH+](C)C)c1 ZINC000423436668 943519196 /nfs/dbraw/zinc/51/91/96/943519196.db2.gz FNMQGTQZPFIIIP-QGZVFWFLSA-N 2 0 353.510 3.836 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423457189 943521634 /nfs/dbraw/zinc/52/16/34/943521634.db2.gz HSYKNUJDYZZPMN-MCHQKVLOSA-N 2 0 353.279 3.681 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423460744 943522218 /nfs/dbraw/zinc/52/22/18/943522218.db2.gz NHQBONGWHQNEQP-VHENEKKESA-N 2 0 365.315 3.768 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423471605 943525151 /nfs/dbraw/zinc/52/51/51/943525151.db2.gz MOQVJVIKQWHXDY-QFHJOOASSA-N 2 0 364.505 3.942 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423474867 943525753 /nfs/dbraw/zinc/52/57/53/943525753.db2.gz ZETQHAKWDDHLEG-DWIPRVAHSA-N 2 0 365.315 3.768 20 0 FHADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CCC2 ZINC000423475579 943526315 /nfs/dbraw/zinc/52/63/15/943526315.db2.gz QCDOROKLAOYNCC-JQHSSLGASA-N 2 0 359.514 3.951 20 0 FHADRP Brc1cccc2c1OCCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423482440 943526912 /nfs/dbraw/zinc/52/69/12/943526912.db2.gz PBYPUMNXFGXTEZ-CZUORRHYSA-N 2 0 353.304 3.785 20 0 FHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423479164 943527615 /nfs/dbraw/zinc/52/76/15/943527615.db2.gz LVLPYIKRHYDWGZ-WDSOQIARSA-N 2 0 364.505 3.956 20 0 FHADRP c1ccc(CCOCCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435630651 943528901 /nfs/dbraw/zinc/52/89/01/943528901.db2.gz YCPWWHXHPXKJKZ-QHCPKHFHSA-N 2 0 367.537 3.675 20 0 FHADRP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423504136 943530910 /nfs/dbraw/zinc/53/09/10/943530910.db2.gz GKQHXKNGWGJCCC-HTWSVDAQSA-N 2 0 368.352 3.787 20 0 FHADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423490978 943535656 /nfs/dbraw/zinc/53/56/56/943535656.db2.gz YGWCLCLGYHJGFR-AEFFLSMTSA-N 2 0 364.555 3.586 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423534704 943540600 /nfs/dbraw/zinc/54/06/00/943540600.db2.gz ARAALHMDIXSUMY-MRXNPFEDSA-N 2 0 351.288 3.562 20 0 FHADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414748808 943542215 /nfs/dbraw/zinc/54/22/15/943542215.db2.gz XEQNJSVKUJJZIN-ZIAGYGMSSA-N 2 0 367.896 3.518 20 0 FHADRP COc1cc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc(OC)c1OC ZINC000423516544 943542500 /nfs/dbraw/zinc/54/25/00/943542500.db2.gz YAQWYOSJJYDESE-CRAIPNDOSA-N 2 0 358.482 3.843 20 0 FHADRP COc1ccc2oc([C@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c(C)c2c1 ZINC000423519576 943544156 /nfs/dbraw/zinc/54/41/56/943544156.db2.gz QBYPQMXRTGAGSH-AOCRQIFASA-N 2 0 371.525 3.617 20 0 FHADRP CCOc1cccc2cc([C@@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)oc21 ZINC000423519691 943544163 /nfs/dbraw/zinc/54/41/63/943544163.db2.gz QDWYUKFGMXGPJG-IPJUCJBFSA-N 2 0 371.525 3.699 20 0 FHADRP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccccc2o1 ZINC000423525235 943547384 /nfs/dbraw/zinc/54/73/84/943547384.db2.gz XYZNPRDQWGGMRY-OBFZPWGMSA-N 2 0 355.526 3.936 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(C)c1OC ZINC000423526512 943547394 /nfs/dbraw/zinc/54/73/94/943547394.db2.gz LLJLOBHPMIFIMJ-QKPKKGKSSA-N 2 0 372.553 3.686 20 0 FHADRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(C)C ZINC000417368854 943551142 /nfs/dbraw/zinc/55/11/42/943551142.db2.gz OWSYZSDDZZTVJI-NHCUHLMSSA-N 2 0 371.569 3.688 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423540329 943551743 /nfs/dbraw/zinc/55/17/43/943551743.db2.gz JRRXDUBDBMGFPE-ORMQQPANSA-N 2 0 353.279 3.553 20 0 FHADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423546336 943553896 /nfs/dbraw/zinc/55/38/96/943553896.db2.gz CYVJVZOIYXOQQR-JTSKRJEESA-N 2 0 367.512 3.642 20 0 FHADRP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423552444 943555901 /nfs/dbraw/zinc/55/59/01/943555901.db2.gz UYBMMKIKJDLGAY-LGSVPQMISA-N 2 0 353.279 3.553 20 0 FHADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578735 943562124 /nfs/dbraw/zinc/56/21/24/943562124.db2.gz UWZCPOWDNHAUTE-LJQANCHMSA-N 2 0 367.537 3.729 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423842859 943627684 /nfs/dbraw/zinc/62/76/84/943627684.db2.gz KJKXOLVPEMMOTQ-IBGZPJMESA-N 2 0 357.542 3.679 20 0 FHADRP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771834 943702749 /nfs/dbraw/zinc/70/27/49/943702749.db2.gz SAPWCWUJFLKAEZ-BETUJISGSA-N 2 0 355.345 3.602 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000414775456 943737101 /nfs/dbraw/zinc/73/71/01/943737101.db2.gz CRZNGPXPMFSFGN-YSFPZDHXSA-N 2 0 354.538 3.959 20 0 FHADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417628102 943777718 /nfs/dbraw/zinc/77/77/18/943777718.db2.gz UMGLRWNZPHTFOW-OAQYLSRUSA-N 2 0 374.573 3.577 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424244607 943817554 /nfs/dbraw/zinc/81/75/54/943817554.db2.gz SUIGRHBPNZTCBF-GOSISDBHSA-N 2 0 357.542 3.523 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000417695282 943833796 /nfs/dbraw/zinc/83/37/96/943833796.db2.gz AUTRGRVGQFRQCG-IRXDYDNUSA-N 2 0 368.525 3.635 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1cncc(OCc3ccccc3)c1)CC[NH2+]CC2 ZINC000424284679 943836998 /nfs/dbraw/zinc/83/69/98/943836998.db2.gz DNVUDXHXCUXLNQ-GOSISDBHSA-N 2 0 351.494 3.625 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@@H](CC[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417706227 943842089 /nfs/dbraw/zinc/84/20/89/943842089.db2.gz OSKVIQUUPWUBSY-MOPGFXCFSA-N 2 0 374.573 3.666 20 0 FHADRP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785237 943876032 /nfs/dbraw/zinc/87/60/32/943876032.db2.gz SFBLQKDDQWATTI-IAGOWNOFSA-N 2 0 357.523 3.544 20 0 FHADRP c1c(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414907972 943889416 /nfs/dbraw/zinc/88/94/16/943889416.db2.gz CHVYRRPUGQULAQ-QFIPXVFZSA-N 2 0 360.505 3.830 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424388566 943895887 /nfs/dbraw/zinc/89/58/87/943895887.db2.gz ZCQIRNYFILGVTJ-GOSISDBHSA-N 2 0 366.553 3.821 20 0 FHADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000504917939 943898092 /nfs/dbraw/zinc/89/80/92/943898092.db2.gz DLIBNTSIWZXYCB-FXAWDEMLSA-N 2 0 371.569 3.760 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccccc2C(=O)N(C)C)c1 ZINC000417878574 943919673 /nfs/dbraw/zinc/91/96/73/943919673.db2.gz OZOFFBTZJOFCFJ-UHFFFAOYSA-N 2 0 353.510 3.520 20 0 FHADRP CC[C@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@@H+]1Cc1ccccc1 ZINC000424428767 943923424 /nfs/dbraw/zinc/92/34/24/943923424.db2.gz UUJKBBYNEOWIHX-NRFANRHFSA-N 2 0 366.509 3.582 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000424430882 943924892 /nfs/dbraw/zinc/92/48/92/943924892.db2.gz DSWZSSHSDHAXKK-SFHVURJKSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000437575203 943931042 /nfs/dbraw/zinc/93/10/42/943931042.db2.gz CPMOYGZDOBFTTA-UHFFFAOYSA-N 2 0 358.505 3.624 20 0 FHADRP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000515518101 943950905 /nfs/dbraw/zinc/95/09/05/943950905.db2.gz PVEPLHAHEBPQAP-FHWLQOOXSA-N 2 0 359.558 3.701 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000515521820 943974805 /nfs/dbraw/zinc/97/48/05/943974805.db2.gz XOAWWBXUKOZDQE-FHWLQOOXSA-N 2 0 373.585 3.947 20 0 FHADRP C[C@@H]([NH3+])c1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414797077 943982733 /nfs/dbraw/zinc/98/27/33/943982733.db2.gz AQRUOHFJYGTBOU-QGZVFWFLSA-N 2 0 352.526 3.849 20 0 FHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425460658 944006125 /nfs/dbraw/zinc/00/61/25/944006125.db2.gz SLESPOWFRRTAOI-IBGZPJMESA-N 2 0 371.569 3.981 20 0 FHADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000505086834 944028135 /nfs/dbraw/zinc/02/81/35/944028135.db2.gz YAGPUPIRBIXZRL-GZNCHQMQSA-N 2 0 361.574 3.553 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000505133176 944063492 /nfs/dbraw/zinc/06/34/92/944063492.db2.gz DOZHODZFCLMOPK-SJORKVTESA-N 2 0 373.463 3.591 20 0 FHADRP CC1(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC[NH2+]CC1 ZINC000414912587 944071182 /nfs/dbraw/zinc/07/11/82/944071182.db2.gz VHOFAXVSGZJHLK-UHFFFAOYSA-N 2 0 365.930 3.855 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1F ZINC000397683368 944084650 /nfs/dbraw/zinc/08/46/50/944084650.db2.gz MPQIEZFQLGYXJD-INIZCTEOSA-N 2 0 360.448 3.643 20 0 FHADRP FC(F)(F)[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)Cc1ccccc1 ZINC000425894806 944092659 /nfs/dbraw/zinc/09/26/59/944092659.db2.gz HKBZWYQVGOWZNS-INIZCTEOSA-N 2 0 367.415 3.652 20 0 FHADRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364249681 944153775 /nfs/dbraw/zinc/15/37/75/944153775.db2.gz HMJNACQWGKEKIW-YLJYHZDGSA-N 2 0 368.529 3.563 20 0 FHADRP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757375 944185357 /nfs/dbraw/zinc/18/53/57/944185357.db2.gz CKLPQOBRPDEJGS-ZCNNSNEGSA-N 2 0 373.585 3.805 20 0 FHADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccccc2)cc1OC ZINC000261933947 944235426 /nfs/dbraw/zinc/23/54/26/944235426.db2.gz DATHLBWLOXYWMS-UHFFFAOYSA-N 2 0 366.505 3.946 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000438994412 944239665 /nfs/dbraw/zinc/23/96/65/944239665.db2.gz DNWOSFIWLDHAHW-AWEZNQCLSA-N 2 0 373.472 3.705 20 0 FHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000418188415 944247086 /nfs/dbraw/zinc/24/70/86/944247086.db2.gz UHCKBLZHYWBSDO-FVJLSDCUSA-N 2 0 368.525 3.505 20 0 FHADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969588 944258865 /nfs/dbraw/zinc/25/88/65/944258865.db2.gz JEVDLPMUTBTYCC-VWNXMTODSA-N 2 0 369.597 3.846 20 0 FHADRP Fc1cccc(Cl)c1CN1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414975503 944266904 /nfs/dbraw/zinc/26/69/04/944266904.db2.gz OQSLDTOFCRYKMV-OAHLLOKOSA-N 2 0 353.913 3.565 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCOC2CCOCC2)CC1 ZINC000366682180 944280759 /nfs/dbraw/zinc/28/07/59/944280759.db2.gz XLIKNZZQTOMMHZ-UHFFFAOYSA-N 2 0 360.542 3.605 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000517429038 944288882 /nfs/dbraw/zinc/28/88/82/944288882.db2.gz LINMPYZUCKBCRC-FPOVZHCZSA-N 2 0 353.510 3.523 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436409173 944298144 /nfs/dbraw/zinc/29/81/44/944298144.db2.gz IITUMXFEYUUUQM-FQEVSTJZSA-N 2 0 372.557 3.709 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000439083494 944322728 /nfs/dbraw/zinc/32/27/28/944322728.db2.gz GWITXZDKGKLLIN-IAGOWNOFSA-N 2 0 361.530 3.816 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2c1 ZINC000414983310 944365277 /nfs/dbraw/zinc/36/52/77/944365277.db2.gz ZJMYRDRNMYSJOA-FQEVSTJZSA-N 2 0 352.526 3.847 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001167755077 944383697 /nfs/dbraw/zinc/38/36/97/944383697.db2.gz ZVTVQBZGVGAJFY-IBGZPJMESA-N 3 0 358.574 3.534 20 0 FHADRP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C1CCOCC1 ZINC000187900445 944389794 /nfs/dbraw/zinc/38/97/94/944389794.db2.gz JOKWIECUVXIPJS-QFIPXVFZSA-N 2 0 360.542 3.594 20 0 FHADRP [NH3+][C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000517560920 944392439 /nfs/dbraw/zinc/39/24/39/944392439.db2.gz CJERAQAUKOMEIR-PMACEKPBSA-N 2 0 371.912 3.683 20 0 FHADRP CCOc1ccc(C2=CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192783128 944394642 /nfs/dbraw/zinc/39/46/42/944394642.db2.gz HUMOLYAYYMKRBF-UHFFFAOYSA-N 2 0 371.569 3.591 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c2)cc1 ZINC000517567600 944407537 /nfs/dbraw/zinc/40/75/37/944407537.db2.gz NQYHBXGPZIRRGI-OAQYLSRUSA-N 2 0 369.509 3.753 20 0 FHADRP c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)cc1 ZINC001167977423 944412835 /nfs/dbraw/zinc/41/28/35/944412835.db2.gz CHFPUHLSAVQFCD-FRIKZZABSA-N 2 0 354.538 3.773 20 0 FHADRP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CCCCC1 ZINC000518513641 944458236 /nfs/dbraw/zinc/45/82/36/944458236.db2.gz IUHLBHZXQJRNPA-UHFFFAOYSA-N 2 0 371.569 3.684 20 0 FHADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323833 944459600 /nfs/dbraw/zinc/45/96/00/944459600.db2.gz DGVONTGFGQKCKM-RHSMWYFYSA-N 2 0 351.332 3.801 20 0 FHADRP CCn1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cn1 ZINC000112099286 944482874 /nfs/dbraw/zinc/48/28/74/944482874.db2.gz FVUCSBLVUVLJCE-UHFFFAOYSA-N 2 0 354.542 3.728 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)NCc1cccc(C[NH+](C)C(C)C)c1)c1ccccc1 ZINC000517683395 944510084 /nfs/dbraw/zinc/51/00/84/944510084.db2.gz BTJWZZFFCYOMCH-QFIPXVFZSA-N 2 0 367.537 3.836 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000429801265 944519366 /nfs/dbraw/zinc/51/93/66/944519366.db2.gz GWXCYLNVRHPTHW-RHSMWYFYSA-N 2 0 360.420 3.626 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000518595395 944523610 /nfs/dbraw/zinc/52/36/10/944523610.db2.gz WOQQITDPHCCYNI-KDURUIRLSA-N 2 0 374.573 3.589 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414995417 944537628 /nfs/dbraw/zinc/53/76/28/944537628.db2.gz FOZVRQKXNXTCFH-PKOBYXMFSA-N 2 0 360.933 3.809 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1O ZINC000426356093 944544276 /nfs/dbraw/zinc/54/42/76/944544276.db2.gz HBHIYFATYDRWOK-SCTDSRPQSA-N 2 0 360.542 3.965 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000414996122 944545525 /nfs/dbraw/zinc/54/55/25/944545525.db2.gz GEKKUJJLDLHPNI-PWSUYJOCSA-N 2 0 363.246 3.658 20 0 FHADRP CC(C)[N@@H+]1CCc2nc(CNc3ccccc3CC[NH+](C)C)sc2C1 ZINC000438378156 944545964 /nfs/dbraw/zinc/54/59/64/944545964.db2.gz SGQMBWOCQRRXNA-UHFFFAOYSA-N 2 0 358.555 3.626 20 0 FHADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c(Br)c1O ZINC000550262934 944621271 /nfs/dbraw/zinc/62/12/71/944621271.db2.gz DPUVIIUGPPGVOY-UHFFFAOYSA-N 2 0 371.319 3.519 20 0 FHADRP Fc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964565 944626193 /nfs/dbraw/zinc/62/61/93/944626193.db2.gz SRKJALVYDILGFU-FRIKZZABSA-N 2 0 371.544 3.785 20 0 FHADRP c1ccc(C[N@H+]2C[C@H](C[NH2+]C[C@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270244 944649766 /nfs/dbraw/zinc/64/97/66/944649766.db2.gz KJWSUSWKMLNTPU-UNMCSNQZSA-N 2 0 354.538 3.861 20 0 FHADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000759870686 944652588 /nfs/dbraw/zinc/65/25/88/944652588.db2.gz YJPNRTJMFNHPFX-RFUYNDQBSA-N 2 0 354.897 3.755 20 0 FHADRP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000439476617 944658459 /nfs/dbraw/zinc/65/84/59/944658459.db2.gz RSKWJMUFDOVAMI-SZPZYZBQSA-N 2 0 360.542 3.688 20 0 FHADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000418493617 944702485 /nfs/dbraw/zinc/70/24/85/944702485.db2.gz RCGZUXZOQINLHA-KRWDZBQOSA-N 2 0 360.546 3.550 20 0 FHADRP CC(C)[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390684480 944712300 /nfs/dbraw/zinc/71/23/00/944712300.db2.gz XHNBDLCGYSMFEP-KBRMVUAJSA-N 2 0 352.526 3.693 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(F)cc3)CC2)c1 ZINC000518769751 944744812 /nfs/dbraw/zinc/74/48/12/944744812.db2.gz ZLDINYPTHMOPHS-UHFFFAOYSA-N 2 0 355.501 3.826 20 0 FHADRP C[C@@H]1CCC[C@@](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000516395534 944814793 /nfs/dbraw/zinc/81/47/93/944814793.db2.gz BNXOGXNGHNCSNZ-AUSIDOKSSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414936834 944852264 /nfs/dbraw/zinc/85/22/64/944852264.db2.gz BUVUGVJHGBMOPL-IERDGZPVSA-N 2 0 364.468 3.766 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426836224 944854944 /nfs/dbraw/zinc/85/49/44/944854944.db2.gz UTUYVLSCCGYBJQ-TZIWHRDSSA-N 2 0 371.569 3.525 20 0 FHADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450345 944875348 /nfs/dbraw/zinc/87/53/48/944875348.db2.gz DDHQTMFFAIBOKJ-JWNTYJGQSA-N 2 0 374.488 3.779 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415004105 944893146 /nfs/dbraw/zinc/89/31/46/944893146.db2.gz NSVUYVHDWHPQMT-VQIMIIECSA-N 2 0 370.541 3.921 20 0 FHADRP C[NH+](C)CC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCCC1 ZINC000426950105 944960500 /nfs/dbraw/zinc/96/05/00/944960500.db2.gz AYTIYZREKLDQIM-UHFFFAOYSA-N 2 0 357.542 3.776 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)cc2)c1 ZINC000414944588 944964003 /nfs/dbraw/zinc/96/40/03/944964003.db2.gz QFUNMXOPHPWZDO-BTYIYWSLSA-N 2 0 356.466 3.584 20 0 FHADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000518964933 944982207 /nfs/dbraw/zinc/98/22/07/944982207.db2.gz GZQGANRVPJDETB-CTWPCTMYSA-N 2 0 365.521 3.618 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@@H](C)C1 ZINC000437075624 944992985 /nfs/dbraw/zinc/99/29/85/944992985.db2.gz HDDGQGDCXVMNDW-SIKLNZKXSA-N 2 0 371.569 3.756 20 0 FHADRP C[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCC[NH2+]C1 ZINC000414898125 945021068 /nfs/dbraw/zinc/02/10/68/945021068.db2.gz GAQJUOHHPLUQSM-OAHLLOKOSA-N 2 0 363.246 3.530 20 0 FHADRP CCO[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](OCC)[C@@H](C)C3)CCC2)C[C@@H]1C ZINC000660719270 945420782 /nfs/dbraw/zinc/42/07/82/945420782.db2.gz BCVKYVDWXMHYRV-XSDIEEQYSA-N 2 0 366.590 3.651 20 0 FHADRP O=C(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)OCc1ccccc1 ZINC001167966628 945430554 /nfs/dbraw/zinc/43/05/54/945430554.db2.gz XWVVKYKGEBJJEC-SEJPIABJSA-N 2 0 356.510 3.505 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415013906 945500438 /nfs/dbraw/zinc/50/04/38/945500438.db2.gz YXOOLQJZWIISDN-YLJYHZDGSA-N 2 0 352.526 3.832 20 0 FHADRP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059540 945514577 /nfs/dbraw/zinc/51/45/77/945514577.db2.gz XCXLVRJUPKTAIZ-HZPDHXFCSA-N 2 0 354.441 3.651 20 0 FHADRP Cn1c2ccccc2nc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967104 945518326 /nfs/dbraw/zinc/51/83/26/945518326.db2.gz BPRDJFFENHJEPH-YQQQUEKLSA-N 2 0 352.526 3.501 20 0 FHADRP Brc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c2ncccc12 ZINC000262017665 945520569 /nfs/dbraw/zinc/52/05/69/945520569.db2.gz MWUQVTXZOFBSPK-UHFFFAOYSA-N 2 0 360.299 3.573 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000044277381 945575785 /nfs/dbraw/zinc/57/57/85/945575785.db2.gz XHMXOLGKXPLPNK-UHFFFAOYSA-N 2 0 366.509 3.666 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281307339 945584965 /nfs/dbraw/zinc/58/49/65/945584965.db2.gz RQDVAOUNXBTHRT-OAQYLSRUSA-N 2 0 357.473 3.792 20 0 FHADRP COC(=O)c1csc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000514094240 945590956 /nfs/dbraw/zinc/59/09/56/945590956.db2.gz MQXLHMUIZCOQRK-OAGGEKHMSA-N 2 0 352.544 3.943 20 0 FHADRP COC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187808949 945602100 /nfs/dbraw/zinc/60/21/00/945602100.db2.gz BDAXAHNNOVHNDW-QHCPKHFHSA-N 2 0 374.569 3.982 20 0 FHADRP [NH3+][C@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000119585454 945692257 /nfs/dbraw/zinc/69/22/57/945692257.db2.gz VOEJFBGIYFWZBZ-JOCHJYFZSA-N 2 0 365.521 3.769 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612726 945707159 /nfs/dbraw/zinc/70/71/59/945707159.db2.gz NSSRFXWKGADHDC-HOCLYGCPSA-N 2 0 366.431 3.819 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC000579063063 945738518 /nfs/dbraw/zinc/73/85/18/945738518.db2.gz QJWHBJHFUJBPPP-QGZVFWFLSA-N 2 0 351.485 3.696 20 0 FHADRP CC[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167970394 945776490 /nfs/dbraw/zinc/77/64/90/945776490.db2.gz JFVCUQDYKWKDPG-QBUWPKIASA-N 2 0 365.562 3.675 20 0 FHADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000281727517 945825248 /nfs/dbraw/zinc/82/52/48/945825248.db2.gz PPKUSOQQRLNRGV-MTIDIVMFSA-N 2 0 360.542 3.685 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000415930703 945923658 /nfs/dbraw/zinc/92/36/58/945923658.db2.gz KYYLTHIPRCUVHZ-UHFFFAOYSA-N 2 0 358.530 3.716 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000415941233 945928799 /nfs/dbraw/zinc/92/87/99/945928799.db2.gz FTNFIAVKYVRVOO-UHFFFAOYSA-N 2 0 368.525 3.912 20 0 FHADRP CC(C)C1CC[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000444186437 946042542 /nfs/dbraw/zinc/04/25/42/946042542.db2.gz BNTZUYTUDPNMGP-LJQANCHMSA-N 2 0 371.569 3.524 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000508480084 946043348 /nfs/dbraw/zinc/04/33/48/946043348.db2.gz ZAVHEVRTEHPSAN-OAQYLSRUSA-N 2 0 374.573 3.631 20 0 FHADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000522893916 946074443 /nfs/dbraw/zinc/07/44/43/946074443.db2.gz ICTYQVALXZJIPS-NQIIRXRSSA-N 2 0 357.542 3.552 20 0 FHADRP Cc1nc(C2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)no1 ZINC001168053293 946207887 /nfs/dbraw/zinc/20/78/87/946207887.db2.gz NCWDXQXUSTWQKB-UPHUGPLXSA-N 2 0 368.525 3.999 20 0 FHADRP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1cccc2ccccc21 ZINC000103482399 946304956 /nfs/dbraw/zinc/30/49/56/946304956.db2.gz PZDVYTNPCUNZMM-UHFFFAOYSA-N 2 0 365.521 3.976 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252908 946348013 /nfs/dbraw/zinc/34/80/13/946348013.db2.gz KHVKOWIGHKQKFS-CEMLEFRQSA-N 2 0 374.569 3.937 20 0 FHADRP CCSc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000473129793 946386363 /nfs/dbraw/zinc/38/63/63/946386363.db2.gz YYFUQTDIDQFKPQ-UHFFFAOYSA-N 2 0 361.599 3.648 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000536266524 946660718 /nfs/dbraw/zinc/66/07/18/946660718.db2.gz FEQFLCQUADHVFC-FKBYEOEOSA-N 2 0 365.521 3.631 20 0 FHADRP C[NH2+]CCc1c(C)nn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001168059471 946698442 /nfs/dbraw/zinc/69/84/42/946698442.db2.gz FRTHKDRCPQFHHY-UPHUGPLXSA-N 2 0 354.542 3.876 20 0 FHADRP c1ccc(C[NH+]2CCCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167991996 946705943 /nfs/dbraw/zinc/70/59/43/946705943.db2.gz GIAUNLIXAAKEMZ-AIZNXBIQSA-N 2 0 353.554 3.600 20 0 FHADRP Cc1cccc(C)c1OCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000112731260 946733820 /nfs/dbraw/zinc/73/38/20/946733820.db2.gz LOXIFZNDZAGUGX-FGZHOGPDSA-N 2 0 373.585 3.563 20 0 FHADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475270478 946802960 /nfs/dbraw/zinc/80/29/60/946802960.db2.gz RDHHZQQCEYMNKG-CRAIPNDOSA-N 2 0 369.475 3.990 20 0 FHADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000475283851 946821748 /nfs/dbraw/zinc/82/17/48/946821748.db2.gz WXKFBWAXKNEGIH-YMISUZCDSA-N 2 0 358.526 3.610 20 0 FHADRP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000188445525 946829638 /nfs/dbraw/zinc/82/96/38/946829638.db2.gz ACWHCFOZQJLMGZ-LAUBAEHRSA-N 2 0 356.485 3.503 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348538 946892417 /nfs/dbraw/zinc/89/24/17/946892417.db2.gz HQQRIDZPYZRVBP-QBIMZIAESA-N 2 0 373.324 3.591 20 0 FHADRP COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000475338042 946907681 /nfs/dbraw/zinc/90/76/81/946907681.db2.gz VZUJCMVLFCNMLT-OAQYLSRUSA-N 2 0 364.493 3.703 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000123949366 946918477 /nfs/dbraw/zinc/91/84/77/946918477.db2.gz ITADEHVEAAYANA-LJQANCHMSA-N 2 0 369.484 3.786 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(Cl)cc2)C1 ZINC000652360960 946927827 /nfs/dbraw/zinc/92/78/27/946927827.db2.gz VCLDWXKNUONHKV-KBAYOESNSA-N 2 0 354.947 3.793 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062134 946952857 /nfs/dbraw/zinc/95/28/57/946952857.db2.gz JCINGIRNVRELJD-PIKOESSRSA-N 2 0 364.480 3.928 20 0 FHADRP c1ccc(C[NH+]2CC[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995718 946981031 /nfs/dbraw/zinc/98/10/31/946981031.db2.gz OVIQROCRLWDLGX-JLJUSEHJSA-N 2 0 365.565 3.598 20 0 FHADRP CCOC(=O)[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063826 947035914 /nfs/dbraw/zinc/03/59/14/947035914.db2.gz NNUWMWFMYULJDB-CMKODMSKSA-N 2 0 358.526 3.703 20 0 FHADRP CN(CC[N@H+](C)Cc1ccc(-c2ccsc2)cc1)C1CC[NH+](C)CC1 ZINC000444664455 947090791 /nfs/dbraw/zinc/09/07/91/947090791.db2.gz QVWSAKKEGVCIIB-UHFFFAOYSA-N 2 0 357.567 3.873 20 0 FHADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000192918763 947104945 /nfs/dbraw/zinc/10/49/45/947104945.db2.gz LPYODSNUQXVFNY-UGKGYDQZSA-N 2 0 350.506 3.664 20 0 FHADRP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000192921824 947105140 /nfs/dbraw/zinc/10/51/40/947105140.db2.gz DIQCLRYOJGZPKV-OAQYLSRUSA-N 2 0 360.505 3.792 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612816 947331588 /nfs/dbraw/zinc/33/15/88/947331588.db2.gz SIRVJQSGVHFBRS-DZFGPLHGSA-N 2 0 360.542 3.799 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000188266831 947509673 /nfs/dbraw/zinc/50/96/73/947509673.db2.gz GNNBORGKLZGRAF-INIZCTEOSA-N 2 0 373.928 3.525 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000475625639 947651876 /nfs/dbraw/zinc/65/18/76/947651876.db2.gz LWRKYWWNOXDNAS-UHFFFAOYSA-N 2 0 363.461 3.574 20 0 FHADRP FC(F)(F)C1(C(F)(F)F)CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662253608 947674575 /nfs/dbraw/zinc/67/45/75/947674575.db2.gz AXHRWQJVFLDGBC-UHFFFAOYSA-N 2 0 352.322 3.649 20 0 FHADRP FC(F)(F)c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256125 947677822 /nfs/dbraw/zinc/67/78/22/947677822.db2.gz GQFWGCDLYXWPQQ-SJORKVTESA-N 2 0 354.416 3.753 20 0 FHADRP Brc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662280072 947699663 /nfs/dbraw/zinc/69/96/63/947699663.db2.gz CEGAAHQPIBRFDA-GOSISDBHSA-N 2 0 373.294 3.708 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1)CC1CC1 ZINC000662279047 947702429 /nfs/dbraw/zinc/70/24/29/947702429.db2.gz PIGFMBBGUYEHAN-UHFFFAOYSA-N 3 0 355.570 3.666 20 0 FHADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662292987 947714790 /nfs/dbraw/zinc/71/47/90/947714790.db2.gz PXDKCIYGHDPYLZ-MAUKXSAKSA-N 2 0 370.497 3.518 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291620 947714944 /nfs/dbraw/zinc/71/49/44/947714944.db2.gz VUUGMKJJWXLDMW-MJGOQNOKSA-N 2 0 357.542 3.849 20 0 FHADRP O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000662294714 947717838 /nfs/dbraw/zinc/71/78/38/947717838.db2.gz LRNIVXFYJSXYJH-CQSZACIVSA-N 2 0 370.324 3.644 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297824 947718930 /nfs/dbraw/zinc/71/89/30/947718930.db2.gz SIDPVTWAWVAJTD-NVXWUHKLSA-N 2 0 363.933 3.687 20 0 FHADRP COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)o2)cc1 ZINC000662298004 947719335 /nfs/dbraw/zinc/71/93/35/947719335.db2.gz SYCYDDDFPCSXEW-GOSISDBHSA-N 2 0 355.482 3.562 20 0 FHADRP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662295795 947722923 /nfs/dbraw/zinc/72/29/23/947722923.db2.gz UMPUJROHPVGDMA-AZUAARDMSA-N 2 0 357.542 3.650 20 0 FHADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313198 947738818 /nfs/dbraw/zinc/73/88/18/947738818.db2.gz GFXKBFZJEVLSCN-JTDSTZFVSA-N 2 0 365.949 3.699 20 0 FHADRP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1CCC[NH3+] ZINC000662313683 947747556 /nfs/dbraw/zinc/74/75/56/947747556.db2.gz VZKQHKUZRWQFDA-IUODEOHRSA-N 2 0 358.313 3.771 20 0 FHADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2ccc3ccccc3c2)CCO1 ZINC000662321371 947749354 /nfs/dbraw/zinc/74/93/54/947749354.db2.gz HNFAXYQELOTZGB-QFIPXVFZSA-N 2 0 356.510 3.651 20 0 FHADRP c1c(C2CC[NH+](CCCCC3CCOCC3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327665 947758526 /nfs/dbraw/zinc/75/85/26/947758526.db2.gz SUHLBYITCDIIJH-UHFFFAOYSA-N 2 0 374.573 3.653 20 0 FHADRP c1c(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327466 947759483 /nfs/dbraw/zinc/75/94/83/947759483.db2.gz OUOGYAZOQHSBHB-UHFFFAOYSA-N 2 0 364.537 3.745 20 0 FHADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc2c1C[NH2+]C2 ZINC000662421460 947792441 /nfs/dbraw/zinc/79/24/41/947792441.db2.gz DCNFYDXACJJPSQ-UHFFFAOYSA-N 2 0 363.505 3.596 20 0 FHADRP OC[C@@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCc2ccccc21 ZINC000663355747 947833818 /nfs/dbraw/zinc/83/38/18/947833818.db2.gz FRXNATDKVJEHGO-QHCPKHFHSA-N 2 0 350.506 3.596 20 0 FHADRP CN(C(=O)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000663359469 947847828 /nfs/dbraw/zinc/84/78/28/947847828.db2.gz HFQQQTDCRCOILZ-NRFANRHFSA-N 2 0 365.521 3.541 20 0 FHADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525964 947888587 /nfs/dbraw/zinc/88/85/87/947888587.db2.gz NEQOCAYSSIFHFC-YADHBBJMSA-N 2 0 363.505 3.564 20 0 FHADRP COc1cc2cc[nH+]c(N3CCC([NH+]4CCCCC4)CC3)c2cc1OC ZINC000663394750 947950251 /nfs/dbraw/zinc/95/02/51/947950251.db2.gz YSSYLOPLJWLYFA-UHFFFAOYSA-N 2 0 355.482 3.707 20 0 FHADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467511 948054856 /nfs/dbraw/zinc/05/48/56/948054856.db2.gz GLIYCMXSZHUIEX-HKUYNNGSSA-N 2 0 357.542 3.678 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467948 948060669 /nfs/dbraw/zinc/06/06/69/948060669.db2.gz IYGDNDIRDAHZJI-DOTOQJQBSA-N 2 0 355.526 3.689 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000663467952 948060857 /nfs/dbraw/zinc/06/08/57/948060857.db2.gz IYGDNDIRDAHZJI-NVXWUHKLSA-N 2 0 355.526 3.689 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1ccccc1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001167821183 948075436 /nfs/dbraw/zinc/07/54/36/948075436.db2.gz CGZZURFPUUFBMQ-NNWRFLSQSA-N 2 0 359.558 3.525 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001167821185 948075776 /nfs/dbraw/zinc/07/57/76/948075776.db2.gz CKAIDTQGCYMLJM-HMXCVIKNSA-N 2 0 357.542 3.767 20 0 FHADRP CSC1(C[NH2+]C[C@@H](C)c2cccc(Br)c2)CC[NH+](C)CC1 ZINC000562083388 948076438 /nfs/dbraw/zinc/07/64/38/948076438.db2.gz RDDAIDUUQPJZPO-CQSZACIVSA-N 2 0 371.388 3.970 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000473202183 948088065 /nfs/dbraw/zinc/08/80/65/948088065.db2.gz QDVGOUROZSCHEC-LEWJYISDSA-N 2 0 359.558 3.524 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001167822930 948096166 /nfs/dbraw/zinc/09/61/66/948096166.db2.gz BTSIECAXFZJWBS-IBGZPJMESA-N 2 0 358.574 3.933 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000663505298 948121488 /nfs/dbraw/zinc/12/14/88/948121488.db2.gz HCEBINPPMYCGOA-RTWAWAEBSA-N 2 0 363.590 3.706 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC000663505297 948121691 /nfs/dbraw/zinc/12/16/91/948121691.db2.gz HCEBINPPMYCGOA-NHCUHLMSSA-N 2 0 363.590 3.706 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1cccc(C)c1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001167826869 948134061 /nfs/dbraw/zinc/13/40/61/948134061.db2.gz ZETXYNIYKLMSQK-MDNUFGMLSA-N 2 0 373.585 3.833 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001167827021 948134823 /nfs/dbraw/zinc/13/48/23/948134823.db2.gz RLILMRDYTXAXTK-FXAWDEMLSA-N 2 0 363.571 3.687 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827817 948160006 /nfs/dbraw/zinc/16/00/06/948160006.db2.gz XUFVDZSUQNQSFT-MSOLQXFVSA-N 2 0 355.567 3.686 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001167828155 948168560 /nfs/dbraw/zinc/16/85/60/948168560.db2.gz ZZPDLZRPNGUNPK-KRWDZBQOSA-N 2 0 371.529 3.822 20 0 FHADRP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5nonc54)CC[C@H]3C2)cc1 ZINC001203144078 948213721 /nfs/dbraw/zinc/21/37/21/948213721.db2.gz AXELSSGYJDIYMK-RBUKOAKNSA-N 2 0 362.477 3.567 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001167833423 948223985 /nfs/dbraw/zinc/22/39/85/948223985.db2.gz BCDCIFMHZPFNSJ-KSZLIROESA-N 2 0 355.567 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001167834137 948247774 /nfs/dbraw/zinc/24/77/74/948247774.db2.gz HZTFYEUVXYJDDQ-ZWKOTPCHSA-N 2 0 355.567 3.828 20 0 FHADRP c1ccc(CN2C[C@@H]3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001168002775 948271907 /nfs/dbraw/zinc/27/19/07/948271907.db2.gz XXHMXAQUOJOFHU-GFWMXMCESA-N 2 0 365.565 3.598 20 0 FHADRP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003258 948289888 /nfs/dbraw/zinc/28/98/88/948289888.db2.gz METMARADKMJVDJ-DFNIBXOVSA-N 2 0 365.562 3.581 20 0 FHADRP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001168003645 948295989 /nfs/dbraw/zinc/29/59/89/948295989.db2.gz PWKVUADSTJPJMX-QUFMSWDXSA-N 2 0 353.554 3.598 20 0 FHADRP CN(C)Cc1cnc(CNCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000512045568 948296804 /nfs/dbraw/zinc/29/68/04/948296804.db2.gz MUPFJPFVDQUVMB-UHFFFAOYSA-N 2 0 372.582 3.871 20 0 FHADRP C[C@@H]([NH2+]C1(CNc2[nH+]ccc3[nH]ccc32)CCOCC1)c1ccccc1 ZINC000663607230 948300856 /nfs/dbraw/zinc/30/08/56/948300856.db2.gz GFFKFHBTYHEZHF-MRXNPFEDSA-N 2 0 350.466 3.875 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC001167838069 948312687 /nfs/dbraw/zinc/31/26/87/948312687.db2.gz PFXHAHYCZQIEJL-LJQANCHMSA-N 2 0 354.542 3.867 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC[C@H](COC(C)=O)C2)CC1 ZINC001167839878 948320323 /nfs/dbraw/zinc/32/03/23/948320323.db2.gz CJOLTKVRVSSQKU-QUCCMNQESA-N 2 0 352.563 3.942 20 0 FHADRP CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H](C)CCC[NH+](CC)CC ZINC001167839840 948322826 /nfs/dbraw/zinc/32/28/26/948322826.db2.gz CDLFKNCJAOBKGU-RBUKOAKNSA-N 2 0 358.567 3.567 20 0 FHADRP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624937 948324508 /nfs/dbraw/zinc/32/45/08/948324508.db2.gz LFVHMBCPHVEZSX-ZNEWLNCYSA-N 2 0 363.549 3.757 20 0 FHADRP O[C@H](C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1)C[NH+]1CCCC1 ZINC000432417053 948372873 /nfs/dbraw/zinc/37/28/73/948372873.db2.gz UECMMNYMXBXHEL-XUJQIHCRSA-N 2 0 370.459 3.778 20 0 FHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432422153 948385583 /nfs/dbraw/zinc/38/55/83/948385583.db2.gz SCPALUASJOSDFJ-QUCCMNQESA-N 2 0 350.572 3.894 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001167842412 948388149 /nfs/dbraw/zinc/38/81/49/948388149.db2.gz WYICSCVBDRJIFE-UNMCSNQZSA-N 2 0 361.574 3.502 20 0 FHADRP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000520623226 948432434 /nfs/dbraw/zinc/43/24/34/948432434.db2.gz GUFZWPQPEMSAQS-OAQYLSRUSA-N 2 0 368.521 3.507 20 0 FHADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000512108298 948439696 /nfs/dbraw/zinc/43/96/96/948439696.db2.gz VDNNCFJXBBBISD-AQNXPRMDSA-N 2 0 371.569 3.940 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccc3)s2)C[C@@H](C)O1 ZINC000066990647 948576960 /nfs/dbraw/zinc/57/69/60/948576960.db2.gz ROAFOSKRWZWXKD-IAGOWNOFSA-N 2 0 359.539 3.789 20 0 FHADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663693893 948649884 /nfs/dbraw/zinc/64/98/84/948649884.db2.gz BMFBESWEDWJTKF-IEBWSBKVSA-N 2 0 369.484 3.655 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000512179080 948661959 /nfs/dbraw/zinc/66/19/59/948661959.db2.gz LIABFROILPNIHS-IYBDPMFKSA-N 2 0 366.933 3.670 20 0 FHADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000445386501 948735585 /nfs/dbraw/zinc/73/55/85/948735585.db2.gz SQTCAYQNPWFKEJ-LJQANCHMSA-N 2 0 355.570 3.727 20 0 FHADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187077460 948784213 /nfs/dbraw/zinc/78/42/13/948784213.db2.gz NJNQGFDOQHJEGD-VXKWHMMOSA-N 2 0 373.585 3.726 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000067457284 221254103 /nfs/dbraw/zinc/25/41/03/221254103.db2.gz JMJXBXATJUYPHM-OAHLLOKOSA-N 2 0 372.431 3.690 20 0 FHADRP COc1ccc2cc(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)ccc2c1 ZINC000062253191 567943194 /nfs/dbraw/zinc/94/31/94/567943194.db2.gz XRJVRCFXAARZGD-ROUUACIJSA-N 2 0 356.510 3.827 20 0 FHADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194444 567949567 /nfs/dbraw/zinc/94/95/67/567949567.db2.gz IJKVLPVHYGWFQX-OAQYLSRUSA-N 2 0 369.553 3.633 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000064738941 568005613 /nfs/dbraw/zinc/00/56/13/568005613.db2.gz AHULHVDRLWLQRS-UHFFFAOYSA-N 2 0 359.558 3.721 20 0 FHADRP C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602672360 568008226 /nfs/dbraw/zinc/00/82/26/568008226.db2.gz XJKSICZFRAZLHO-NHZRIVAWSA-N 2 0 368.546 3.882 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000521430157 568030438 /nfs/dbraw/zinc/03/04/38/568030438.db2.gz RJWCMJNRDFUFPN-SFHVURJKSA-N 2 0 351.579 3.610 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1)C(C)C ZINC000521433802 568051147 /nfs/dbraw/zinc/05/11/47/568051147.db2.gz ZLOXAASCJYRMTC-UHFFFAOYSA-N 2 0 351.494 3.815 20 0 FHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563135101 568267115 /nfs/dbraw/zinc/26/71/15/568267115.db2.gz FVEDHWDUHIIERG-NRFANRHFSA-N 2 0 366.505 3.550 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390837791 568307363 /nfs/dbraw/zinc/30/73/63/568307363.db2.gz AQHHMIBLBYHWBA-AVRDEDQJSA-N 2 0 356.485 3.637 20 0 FHADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390838900 568309452 /nfs/dbraw/zinc/30/94/52/568309452.db2.gz BFHONFBCIWIXOU-KRWDZBQOSA-N 2 0 357.464 3.515 20 0 FHADRP C[C@H](CC[N@@H+]1CCC[C@]2(CCCOC2)C1)[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000431593752 568334241 /nfs/dbraw/zinc/33/42/41/568334241.db2.gz BOLXMWLSLLICTK-FSSWDIPSSA-N 2 0 364.574 3.550 20 0 FHADRP C[NH+](C)CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C(C)(C)C ZINC000604770795 568363050 /nfs/dbraw/zinc/36/30/50/568363050.db2.gz HIQOFTNLALDPMI-KRWDZBQOSA-N 2 0 354.922 3.957 20 0 FHADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)cc1 ZINC000605008824 568515947 /nfs/dbraw/zinc/51/59/47/568515947.db2.gz XHSJFDFDPUDBOI-HXUWFJFHSA-N 2 0 352.522 3.912 20 0 FHADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000736198000 599337434 /nfs/dbraw/zinc/33/74/34/599337434.db2.gz OXYWQUHDLDCVPE-ZWKOTPCHSA-N 2 0 368.529 3.516 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820411251 607087666 /nfs/dbraw/zinc/08/76/66/607087666.db2.gz HNDYRFIRRXNZBK-GUXCAODWSA-N 2 0 368.529 3.560 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@@H]21 ZINC001165027184 721803153 /nfs/dbraw/zinc/80/31/53/721803153.db2.gz UDDKZBSJGHKPAS-SLYNCCJLSA-N 2 0 361.493 3.695 20 0 FHADRP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001164937862 721913820 /nfs/dbraw/zinc/91/38/20/721913820.db2.gz UKUVMJMGMQPNJF-KDURUIRLSA-N 2 0 368.550 3.592 20 0 FHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCC[C@@H]3c3cccnc3)c2)CC1 ZINC001165045786 721963969 /nfs/dbraw/zinc/96/39/69/721963969.db2.gz ARNVNVSEMCBZPB-HXUWFJFHSA-N 2 0 352.482 3.681 20 0 FHADRP CC(C)Oc1cc[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951749 722018726 /nfs/dbraw/zinc/01/87/26/722018726.db2.gz DDVMMJSPGXRSDN-UHFFFAOYSA-N 2 0 366.509 3.756 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000583006574 936361508 /nfs/dbraw/zinc/36/15/08/936361508.db2.gz XTYGQRSDBYQXNU-WOJBJXKFSA-N 2 0 350.934 3.752 20 0 FHADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772236 945069233 /nfs/dbraw/zinc/06/92/33/945069233.db2.gz UJZOIQUFTMNKBF-CTNGQTDRSA-N 2 0 371.569 3.668 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H](C[NH3+])c3ccccc3)c2)CC1 ZINC000579706567 927148653 /nfs/dbraw/zinc/14/86/53/927148653.db2.gz NTLOJLNMJOVNFN-JOCHJYFZSA-N 2 0 365.521 3.642 20 0 FHADRP CSC[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000430192049 927763394 /nfs/dbraw/zinc/76/33/94/927763394.db2.gz NMFGBEAMBAAWBF-GOSISDBHSA-N 2 0 361.599 3.792 20 0 FHADRP CC/C=C\CC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001208725374 928539741 /nfs/dbraw/zinc/53/97/41/928539741.db2.gz JXVZQKQKXXHLFD-XDXAGZTOSA-N 2 0 363.571 3.802 20 0 FHADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2c1OCCCO2 ZINC000583230738 937260059 /nfs/dbraw/zinc/26/00/59/937260059.db2.gz FCTSIKNHEDQKCF-UHFFFAOYSA-N 2 0 354.494 3.932 20 0 FHADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000179425386 928748858 /nfs/dbraw/zinc/74/88/58/928748858.db2.gz LKLAIIQYNRUUSJ-NRFANRHFSA-N 2 0 364.537 3.617 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154543316 928917794 /nfs/dbraw/zinc/91/77/94/928917794.db2.gz DTQILGJDOYZYSI-MRXNPFEDSA-N 2 0 373.463 3.654 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000154848120 929366424 /nfs/dbraw/zinc/36/64/24/929366424.db2.gz ODYZVCQAXZPGRS-UHFFFAOYSA-N 2 0 357.464 3.643 20 0 FHADRP Cc1ccc(C)c([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180437726 929510477 /nfs/dbraw/zinc/51/04/77/929510477.db2.gz RKBBXIHTGNLHHK-RDPSFJRHSA-N 2 0 365.565 3.866 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000180441001 929512503 /nfs/dbraw/zinc/51/25/03/929512503.db2.gz AJPAYVDKMOVQEG-CTNGQTDRSA-N 2 0 363.615 3.667 20 0 FHADRP Cc1ccc(C)c([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180463104 929518087 /nfs/dbraw/zinc/51/80/87/929518087.db2.gz KUABOMAQCURNCZ-OFNKIYASSA-N 2 0 351.538 3.618 20 0 FHADRP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154954871 929560241 /nfs/dbraw/zinc/56/02/41/929560241.db2.gz LTIGXASTHFVQDC-OALUTQOASA-N 2 0 367.537 3.649 20 0 FHADRP C[NH+](C)Cc1cccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000079782473 929574395 /nfs/dbraw/zinc/57/43/95/929574395.db2.gz ZPMWNYBCSGNETH-UHFFFAOYSA-N 2 0 358.530 3.667 20 0 FHADRP COc1cncc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001206997505 929670891 /nfs/dbraw/zinc/67/08/91/929670891.db2.gz GPADZVOKLSFIES-UHFFFAOYSA-N 2 0 365.521 3.968 20 0 FHADRP COc1cccc(F)c1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397630471 929751966 /nfs/dbraw/zinc/75/19/66/929751966.db2.gz NCKDKCGXEAHEOO-KRWDZBQOSA-N 2 0 372.484 3.512 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000162903925 937359685 /nfs/dbraw/zinc/35/96/85/937359685.db2.gz XKEYXSHPJXXICM-KRWDZBQOSA-N 2 0 372.534 3.537 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCn1ccnc1C)CC3 ZINC000123304511 929977236 /nfs/dbraw/zinc/97/72/36/929977236.db2.gz MAYBDTJZSUEDNY-INIZCTEOSA-N 2 0 352.482 3.609 20 0 FHADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000123647368 930077265 /nfs/dbraw/zinc/07/72/65/930077265.db2.gz WGXRQUQRDQZUOO-UHFFFAOYSA-N 2 0 369.528 3.684 20 0 FHADRP c1cc2cc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)ccc2cn1 ZINC000683768838 930105693 /nfs/dbraw/zinc/10/56/93/930105693.db2.gz MTQVDEVFCFHSDE-UHFFFAOYSA-N 2 0 361.489 3.999 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000063583500 930110088 /nfs/dbraw/zinc/11/00/88/930110088.db2.gz DSQVXYKXCCBRJH-QGZVFWFLSA-N 2 0 373.463 3.545 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccccc1OC(F)F ZINC000471526853 930162185 /nfs/dbraw/zinc/16/21/85/930162185.db2.gz PKBAIZXGHUFICF-UHFFFAOYSA-N 2 0 358.392 3.509 20 0 FHADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000275772632 930210608 /nfs/dbraw/zinc/21/06/08/930210608.db2.gz WCWDMXHXFGKJJT-JOCHJYFZSA-N 2 0 363.509 3.569 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000580120286 930269399 /nfs/dbraw/zinc/26/93/99/930269399.db2.gz YAXGHOYAZCFYGH-INIZCTEOSA-N 2 0 361.917 3.959 20 0 FHADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000656188335 930556273 /nfs/dbraw/zinc/55/62/73/930556273.db2.gz CPPGEAWNQAECNA-FQEVSTJZSA-N 2 0 362.477 3.788 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1O ZINC000580368190 930581075 /nfs/dbraw/zinc/58/10/75/930581075.db2.gz DJGPGSOULCAZTI-KRWDZBQOSA-N 2 0 370.493 3.726 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000548094434 930660468 /nfs/dbraw/zinc/66/04/68/930660468.db2.gz KNUDZHNXXKYPQQ-UHFFFAOYSA-N 2 0 350.478 3.556 20 0 FHADRP CC(C)CCn1cccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000119108319 930681577 /nfs/dbraw/zinc/68/15/77/930681577.db2.gz IPYDHZQZQVMPJV-UHFFFAOYSA-N 2 0 369.553 3.781 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H](c1ccccc1)N(C)C ZINC000471587720 930790759 /nfs/dbraw/zinc/79/07/59/930790759.db2.gz VXMLAPDJLKZCNE-YCRNBWNJSA-N 2 0 369.553 3.969 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H](c1ccccc1)N(C)C ZINC000471602813 930928420 /nfs/dbraw/zinc/92/84/20/930928420.db2.gz PYOJUGCHLRQTQD-YCRNBWNJSA-N 2 0 369.553 3.969 20 0 FHADRP CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167430048 931006298 /nfs/dbraw/zinc/00/62/98/931006298.db2.gz QURXKWKCQVYTAP-IBGZPJMESA-N 2 0 367.578 3.879 20 0 FHADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744245 931091623 /nfs/dbraw/zinc/09/16/23/931091623.db2.gz IGPNZJWBRJWXIL-YVEFUNNKSA-N 2 0 362.315 3.545 20 0 FHADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000510349716 931161467 /nfs/dbraw/zinc/16/14/67/931161467.db2.gz XTHSGKBRRKHYKX-IBGZPJMESA-N 2 0 357.542 3.553 20 0 FHADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C2CCCC2)cc1 ZINC000580805532 931172552 /nfs/dbraw/zinc/17/25/52/931172552.db2.gz YBGOXMDMADARHW-UHFFFAOYSA-N 2 0 359.558 3.690 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312993996 931235460 /nfs/dbraw/zinc/23/54/60/931235460.db2.gz MONGDEBTTKTVFE-DENIHFKCSA-N 2 0 360.505 3.873 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312994001 931235617 /nfs/dbraw/zinc/23/56/17/931235617.db2.gz MONGDEBTTKTVFE-SIKLNZKXSA-N 2 0 360.505 3.873 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000684112988 931354567 /nfs/dbraw/zinc/35/45/67/931354567.db2.gz LJARGFUKOOOTOK-BDTNDASRSA-N 2 0 366.553 3.948 20 0 FHADRP COc1ccccc1C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCCO1 ZINC000581076382 931541633 /nfs/dbraw/zinc/54/16/33/931541633.db2.gz DWEGOUGJNRTOBL-JOCHJYFZSA-N 2 0 366.505 3.522 20 0 FHADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000548156412 931716955 /nfs/dbraw/zinc/71/69/55/931716955.db2.gz GGQSNXHMBJQWOP-SJLPKXTDSA-N 2 0 357.464 3.686 20 0 FHADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000065910476 931884466 /nfs/dbraw/zinc/88/44/66/931884466.db2.gz XUFRWUPSIXZBNI-UHFFFAOYSA-N 2 0 357.542 3.619 20 0 FHADRP [NH3+]CCCOC1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000430586161 931965177 /nfs/dbraw/zinc/96/51/77/931965177.db2.gz VJOFFERNXYDOIK-UHFFFAOYSA-N 2 0 368.521 3.622 20 0 FHADRP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1Cl ZINC001279225505 932136523 /nfs/dbraw/zinc/13/65/23/932136523.db2.gz LXKPVOHJGLZHHI-UHFFFAOYSA-N 2 0 362.880 3.690 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C[C@H](C)O1 ZINC000647170170 932379180 /nfs/dbraw/zinc/37/91/80/932379180.db2.gz OKXBBEVONGWTHD-IYBDPMFKSA-N 2 0 352.469 3.963 20 0 FHADRP Cc1ncc([C@@H](C)[NH2+]CCCN2CCN(c3cccc(C)c3)CC2)s1 ZINC000090401544 932403521 /nfs/dbraw/zinc/40/35/21/932403521.db2.gz WNVASUPLCLOVSC-QGZVFWFLSA-N 2 0 358.555 3.623 20 0 FHADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(-c2cnn(C)c2)c1 ZINC000656785701 932419865 /nfs/dbraw/zinc/41/98/65/932419865.db2.gz INMMYXABGWBUSY-IBGZPJMESA-N 2 0 352.526 3.607 20 0 FHADRP CCOc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1OC(F)F ZINC000656783976 932420062 /nfs/dbraw/zinc/42/00/62/932420062.db2.gz BTVVCCMBZSJLGC-KRWDZBQOSA-N 2 0 368.468 3.898 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656785257 932420628 /nfs/dbraw/zinc/42/06/28/932420628.db2.gz GITMZLVNSHPBFW-NRFANRHFSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1OC(F)F ZINC000656785164 932421339 /nfs/dbraw/zinc/42/13/39/932421339.db2.gz JWSKWUGPWKHNSI-INIZCTEOSA-N 2 0 354.441 3.508 20 0 FHADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-c2ccnn2C)c1 ZINC000656787494 932426051 /nfs/dbraw/zinc/42/60/51/932426051.db2.gz ZJWMLENGOGGVKG-LJQANCHMSA-N 2 0 352.526 3.607 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccnc3ccccc23)cc1F ZINC000656789440 932426685 /nfs/dbraw/zinc/42/66/85/932426685.db2.gz ZJISPRVQKQMUBA-UWJYYQICSA-N 2 0 353.416 3.748 20 0 FHADRP CO[C@@H]1CCC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684385705 932497558 /nfs/dbraw/zinc/49/75/58/932497558.db2.gz ZDMHQWSQECXGJQ-IFMALSPDSA-N 2 0 360.542 3.605 20 0 FHADRP CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)CC1CC[NH+](C)CC1 ZINC000891491120 932644271 /nfs/dbraw/zinc/64/42/71/932644271.db2.gz LHMFBYJPBKQMID-UHFFFAOYSA-N 2 0 362.905 3.944 20 0 FHADRP CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000622354356 932732672 /nfs/dbraw/zinc/73/26/72/932732672.db2.gz PRCORCBSNFZNOY-LJQANCHMSA-N 2 0 363.590 3.799 20 0 FHADRP Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000891569712 932774745 /nfs/dbraw/zinc/77/47/45/932774745.db2.gz PKGRISTXTIQMHZ-QGZVFWFLSA-N 2 0 350.466 3.548 20 0 FHADRP C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000090971277 933108331 /nfs/dbraw/zinc/10/83/31/933108331.db2.gz YKOVSBRHMATTLN-LJQANCHMSA-N 2 0 371.569 3.513 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000430755734 933208563 /nfs/dbraw/zinc/20/85/63/933208563.db2.gz RNKWNAKPRHKDCW-KDURUIRLSA-N 2 0 362.583 3.741 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000430763252 933217309 /nfs/dbraw/zinc/21/73/09/933217309.db2.gz NMSUGWRFXIXNSZ-DYESRHJHSA-N 2 0 351.494 3.742 20 0 FHADRP CC(C)C[NH+]1CCC(NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000131194682 933380809 /nfs/dbraw/zinc/38/08/09/933380809.db2.gz NXZDUDXCUBNRNE-UHFFFAOYSA-N 2 0 361.549 3.543 20 0 FHADRP COc1cccc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430914994 933410527 /nfs/dbraw/zinc/41/05/27/933410527.db2.gz BCHLUTDHBIFFJV-IBGZPJMESA-N 2 0 373.585 3.884 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430919867 933416877 /nfs/dbraw/zinc/41/68/77/933416877.db2.gz MLTRHJHQFRKOLG-QGZVFWFLSA-N 2 0 351.494 3.612 20 0 FHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCc3ccccc3)CC2)CC1 ZINC000430937689 933435844 /nfs/dbraw/zinc/43/58/44/933435844.db2.gz DODXTKBHFXAJDN-UHFFFAOYSA-N 2 0 357.586 3.747 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000430944638 933460433 /nfs/dbraw/zinc/46/04/33/933460433.db2.gz NDEQUJPGKLATGK-KRWDZBQOSA-N 2 0 351.494 3.931 20 0 FHADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000431042173 933739200 /nfs/dbraw/zinc/73/92/00/933739200.db2.gz DGRJQLYVDFLDAI-BAGYTPMASA-N 2 0 371.569 3.666 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000132303108 934033449 /nfs/dbraw/zinc/03/34/49/934033449.db2.gz GYSAMDJJPWWGHZ-YJBOKZPZSA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1 ZINC000132418273 934052817 /nfs/dbraw/zinc/05/28/17/934052817.db2.gz LLZLCRTYIJLHJL-PBHICJAKSA-N 2 0 358.357 3.916 20 0 FHADRP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000380427422 934137794 /nfs/dbraw/zinc/13/77/94/934137794.db2.gz JJERJVOOZQIRIG-LPHOPBHVSA-N 2 0 370.468 3.613 20 0 FHADRP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1C[NH+](C)C ZINC000458273308 934575742 /nfs/dbraw/zinc/57/57/42/934575742.db2.gz WQQIXASEGNVZFV-UHFFFAOYSA-N 2 0 351.494 3.905 20 0 FHADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090456590 934642745 /nfs/dbraw/zinc/64/27/45/934642745.db2.gz GEEIXEIJCUZLBL-BPLDGKMQSA-N 2 0 355.295 3.736 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000236636697 934755839 /nfs/dbraw/zinc/75/58/39/934755839.db2.gz IQPZVVQJSPAUNT-QUCCMNQESA-N 2 0 357.542 3.883 20 0 FHADRP C[C@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000236636668 934755999 /nfs/dbraw/zinc/75/59/99/934755999.db2.gz IQPZVVQJSPAUNT-UYAOXDASSA-N 2 0 357.542 3.883 20 0 FHADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236651666 934758369 /nfs/dbraw/zinc/75/83/69/934758369.db2.gz NZZGWKRVWQOFTD-OALUTQOASA-N 2 0 371.550 3.727 20 0 FHADRP C[C@H]([NH2+]CCc1cc(Cl)ccc1Br)C1CC[NH+](C)CC1 ZINC000090579569 934880644 /nfs/dbraw/zinc/88/06/44/934880644.db2.gz LYGRPUYWWOKBDN-LBPRGKRZSA-N 2 0 359.739 3.965 20 0 FHADRP CCn1nc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2ccccc21 ZINC000472080542 934964895 /nfs/dbraw/zinc/96/48/95/934964895.db2.gz QEUOVFKSRZOVPF-UHFFFAOYSA-N 2 0 366.509 3.677 20 0 FHADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156963958 934987315 /nfs/dbraw/zinc/98/73/15/934987315.db2.gz WJFVNASEVVZBRU-AVRDEDQJSA-N 2 0 365.521 3.543 20 0 FHADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OCc1ccccc1 ZINC000415006071 945076100 /nfs/dbraw/zinc/07/61/00/945076100.db2.gz PTJPBBUOZSBCDB-AZUAARDMSA-N 2 0 354.494 3.881 20 0 FHADRP CCCCOc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1OC ZINC000657310646 935093682 /nfs/dbraw/zinc/09/36/82/935093682.db2.gz OLVZLVRCGLUZKY-UHFFFAOYSA-N 2 0 366.465 3.745 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccnn1CC1CC1 ZINC000657311569 935119416 /nfs/dbraw/zinc/11/94/16/935119416.db2.gz NSVLYBLYMWGDJT-GOSISDBHSA-N 2 0 352.526 3.957 20 0 FHADRP C[C@@H](CCO)C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000438825352 945082637 /nfs/dbraw/zinc/08/26/37/945082637.db2.gz IAUCOBOGPRIHNC-RXVVDRJESA-N 2 0 350.522 3.987 20 0 FHADRP c1cc(CNc2ccc(CC[NH+]3CCCCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000657324261 935205395 /nfs/dbraw/zinc/20/53/95/935205395.db2.gz WCEKFOQLWGSFGM-UHFFFAOYSA-N 2 0 361.493 3.908 20 0 FHADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000157849206 935211706 /nfs/dbraw/zinc/21/17/06/935211706.db2.gz ITJSYMJLOSVNNC-JKSUJKDBSA-N 2 0 366.937 3.696 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000157907023 935220565 /nfs/dbraw/zinc/22/05/65/935220565.db2.gz CCSVVJCFNBDQBX-ROUUACIJSA-N 2 0 359.514 3.806 20 0 FHADRP CN(c1ccccc1C[N@H+](C)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000506385158 945086136 /nfs/dbraw/zinc/08/61/36/945086136.db2.gz YRTHBOBHMRCQIU-UHFFFAOYSA-N 2 0 351.538 3.892 20 0 FHADRP Cn1ncc(C2CCC2)c1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657335646 935259640 /nfs/dbraw/zinc/25/96/40/935259640.db2.gz RBTMTXOTTRMORA-IBGZPJMESA-N 2 0 352.526 3.689 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000163790644 945093227 /nfs/dbraw/zinc/09/32/27/945093227.db2.gz VBOYSBJSXOIDAO-UHFFFAOYSA-N 2 0 369.509 3.516 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657348383 935313558 /nfs/dbraw/zinc/31/35/58/935313558.db2.gz UGNIHBYSDBKPJJ-JOCHJYFZSA-N 2 0 354.494 3.596 20 0 FHADRP Cc1c(F)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Br ZINC001140554874 935318732 /nfs/dbraw/zinc/31/87/32/935318732.db2.gz MHWJOBKYRAGHFG-UHFFFAOYSA-N 2 0 355.295 3.814 20 0 FHADRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000130569703 935321623 /nfs/dbraw/zinc/32/16/23/935321623.db2.gz ZNJQVAJTLXFMEX-UHFFFAOYSA-N 2 0 366.509 3.997 20 0 FHADRP CC(C)COc1ccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657354323 935330429 /nfs/dbraw/zinc/33/04/29/935330429.db2.gz NVFRZNPORZPKIJ-UHFFFAOYSA-N 2 0 350.466 3.634 20 0 FHADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192984 935391427 /nfs/dbraw/zinc/39/14/27/935391427.db2.gz ZYWBKRMJVGMUOT-CTNGQTDRSA-N 2 0 371.569 3.685 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707969277 935538370 /nfs/dbraw/zinc/53/83/70/935538370.db2.gz ZPCCKGBCUNYKCP-XWSJACJDSA-N 2 0 367.578 3.875 20 0 FHADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000657398911 935561263 /nfs/dbraw/zinc/56/12/63/935561263.db2.gz FMSZIQKFMDTZOM-FCHUYYIVSA-N 2 0 360.542 3.641 20 0 FHADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000657398913 935561750 /nfs/dbraw/zinc/56/17/50/935561750.db2.gz FMSZIQKFMDTZOM-VXKWHMMOSA-N 2 0 360.542 3.641 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000684837545 935592463 /nfs/dbraw/zinc/59/24/63/935592463.db2.gz KLVRCAAQCDTIPR-HTAPYJJXSA-N 2 0 367.537 3.944 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963991 945113628 /nfs/dbraw/zinc/11/36/28/945113628.db2.gz WCLNZGOHDFSLPG-SBHAEUEKSA-N 2 0 361.574 3.506 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2c(C3CC3)cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000657415629 935640219 /nfs/dbraw/zinc/64/02/19/935640219.db2.gz NEHVJALQWJXMDB-HKUYNNGSSA-N 2 0 352.526 3.688 20 0 FHADRP CCc1cccc2cc(C[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)oc21 ZINC000657421678 935664153 /nfs/dbraw/zinc/66/41/53/935664153.db2.gz QVTVCUOHLNIAKE-UHFFFAOYSA-N 2 0 353.466 3.620 20 0 FHADRP COc1ccccc1[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC(C)C ZINC000657436674 935741630 /nfs/dbraw/zinc/74/16/30/935741630.db2.gz AQCVVWROUUPQBJ-OAQYLSRUSA-N 2 0 366.465 3.532 20 0 FHADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(C)c1OCc1ccccn1 ZINC000262130554 935868681 /nfs/dbraw/zinc/86/86/81/935868681.db2.gz YDAJXBSZRNRBKL-UHFFFAOYSA-N 2 0 365.521 3.853 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1)C1CC1 ZINC000511174202 935886211 /nfs/dbraw/zinc/88/62/11/935886211.db2.gz WQEXNAAQYMNQRF-UHFFFAOYSA-N 2 0 365.521 3.663 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237471313 936068412 /nfs/dbraw/zinc/06/84/12/936068412.db2.gz BDYKVSXJYLUVGR-QZTJIDSGSA-N 2 0 365.521 3.553 20 0 FHADRP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597242 936072944 /nfs/dbraw/zinc/07/29/44/936072944.db2.gz REFVSQMHVUHFIF-FQEVSTJZSA-N 2 0 358.913 3.813 20 0 FHADRP CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597016 936073256 /nfs/dbraw/zinc/07/32/56/936073256.db2.gz QQRZXRRDWBUIRX-IBGZPJMESA-N 2 0 358.913 3.759 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594927 936075718 /nfs/dbraw/zinc/07/57/18/936075718.db2.gz FJMKGPVMBUDJMZ-KKSFZXQISA-N 2 0 358.913 3.800 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4)o3)cc2)C1 ZINC000657594958 936075844 /nfs/dbraw/zinc/07/58/44/936075844.db2.gz LRRYTXSEDQAPFB-OAQYLSRUSA-N 2 0 362.473 3.803 20 0 FHADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613761 936101110 /nfs/dbraw/zinc/10/11/10/936101110.db2.gz RAERPUNQKAIKKV-UHFFFAOYSA-N 2 0 369.557 3.652 20 0 FHADRP CC(C)[C@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000582837964 936202269 /nfs/dbraw/zinc/20/22/69/936202269.db2.gz LVLIZGANQATNJL-APWZRJJASA-N 2 0 371.491 3.671 20 0 FHADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cscc2C(F)(F)F)c1 ZINC000582934096 936305984 /nfs/dbraw/zinc/30/59/84/936305984.db2.gz XPYDKZGHYTXEOT-UHFFFAOYSA-N 2 0 358.429 3.997 20 0 FHADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000635006622 938279664 /nfs/dbraw/zinc/27/96/64/938279664.db2.gz MBIMQJZJHLWRTL-YLJYHZDGSA-N 2 0 353.510 3.570 20 0 FHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2c1 ZINC000650705421 938283180 /nfs/dbraw/zinc/28/31/80/938283180.db2.gz GLZKCLOJYFWJCH-VWPQPMDRSA-N 2 0 354.494 3.567 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)C1 ZINC000650706125 938285295 /nfs/dbraw/zinc/28/52/95/938285295.db2.gz DRCFECWOAAZQDI-VMGRFDJRSA-N 2 0 374.859 3.660 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C2)C1 ZINC000650707974 938287836 /nfs/dbraw/zinc/28/78/36/938287836.db2.gz RAORBGYOMHNWHY-KBRIMQKVSA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000650708150 938288004 /nfs/dbraw/zinc/28/80/04/938288004.db2.gz UJUIIMUFPDVXQZ-IIAWOOMASA-N 2 0 363.552 3.590 20 0 FHADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000128078626 938296948 /nfs/dbraw/zinc/29/69/48/938296948.db2.gz CCRXDAVTPKCNMK-FUHWJXTLSA-N 2 0 358.461 3.539 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OCc1cccnc1 ZINC000650711850 938297946 /nfs/dbraw/zinc/29/79/46/938297946.db2.gz GHKCJMYNGSXQRI-YLJYHZDGSA-N 2 0 369.509 3.619 20 0 FHADRP Cc1ccc2c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc(=O)oc2c1C ZINC000728571358 938306460 /nfs/dbraw/zinc/30/64/60/938306460.db2.gz CBSWPIPADTWDHN-UHFFFAOYSA-N 2 0 356.510 3.962 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)cc1 ZINC000650720184 938308544 /nfs/dbraw/zinc/30/85/44/938308544.db2.gz HNCJOPSIUXTXRG-FQEVSTJZSA-N 2 0 353.510 3.534 20 0 FHADRP CCCn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657772394 938308670 /nfs/dbraw/zinc/30/86/70/938308670.db2.gz MSGHKXXILAMCTM-OAQYLSRUSA-N 2 0 352.526 3.685 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000650722931 938310127 /nfs/dbraw/zinc/31/01/27/938310127.db2.gz DULYLCWFXYXXQB-IKGGRYGDSA-N 2 0 360.395 3.705 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3cccs3)s2)C1 ZINC000650723905 938311087 /nfs/dbraw/zinc/31/10/87/938311087.db2.gz VSXDZPHHMQAOQU-KBMXLJTQSA-N 2 0 363.552 3.732 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724142 938311272 /nfs/dbraw/zinc/31/12/72/938311272.db2.gz YQYHBMWSHHCHNZ-QRVBRYPASA-N 2 0 359.901 3.749 20 0 FHADRP c1ccc(C[NH+]2C[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C3(CCC3)C2)cc1 ZINC000657774174 938317604 /nfs/dbraw/zinc/31/76/04/938317604.db2.gz XLPDKZXOVZQQTJ-FKBYEOEOSA-N 2 0 353.554 3.505 20 0 FHADRP Cn1nc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2ccccc21 ZINC000657773902 938319279 /nfs/dbraw/zinc/31/92/79/938319279.db2.gz VTLUXBKEDPPFEZ-HXUWFJFHSA-N 2 0 374.532 3.965 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000583634465 938330379 /nfs/dbraw/zinc/33/03/79/938330379.db2.gz WHQLOMHNQWHLQW-HXUWFJFHSA-N 2 0 360.505 3.823 20 0 FHADRP OC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC(F)(F)CC1 ZINC000657778788 938348503 /nfs/dbraw/zinc/34/85/03/938348503.db2.gz VKXLGUPZPKIHPP-GOSISDBHSA-N 2 0 364.480 3.714 20 0 FHADRP Fc1ccccc1Oc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000650740677 938361744 /nfs/dbraw/zinc/36/17/44/938361744.db2.gz OCIDXFAYCCRGOJ-HMXCVIKNSA-N 2 0 370.468 3.865 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CCC2(C[NH3+])CC2)c2ccc(OC)cc2)cc1 ZINC000650746200 938373113 /nfs/dbraw/zinc/37/31/13/938373113.db2.gz XYJWNMLBVQHRPD-NRFANRHFSA-N 2 0 354.494 3.706 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)c(F)c1 ZINC000650755278 938413839 /nfs/dbraw/zinc/41/38/39/938413839.db2.gz AZBHTESDLHHUHH-ZDUSSCGKSA-N 2 0 355.276 3.886 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ncc(Br)cc1F ZINC000278449298 938437538 /nfs/dbraw/zinc/43/75/38/938437538.db2.gz LHBYOYUODXUQOC-NSHDSACASA-N 2 0 356.283 3.508 20 0 FHADRP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCN(CC3CCCC3)C1)CC2 ZINC000151165798 938438507 /nfs/dbraw/zinc/43/85/07/938438507.db2.gz KIUGNOIXLLMIFZ-KPRXVCGWSA-N 2 0 367.537 3.673 20 0 FHADRP Brc1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCCO2)cc1 ZINC000650762471 938446919 /nfs/dbraw/zinc/44/69/19/938446919.db2.gz BDVMDFFGYUSMHC-ZWKOTPCHSA-N 2 0 367.331 3.649 20 0 FHADRP CCOc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1OC(F)F ZINC000657811854 938518611 /nfs/dbraw/zinc/51/86/11/938518611.db2.gz IQECWPVBBCNZKL-UHFFFAOYSA-N 2 0 368.468 3.898 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000583985618 938519220 /nfs/dbraw/zinc/51/92/20/938519220.db2.gz ILXGKWQRDBTMEK-PCCBWWKXSA-N 2 0 351.494 3.623 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000583985619 938519305 /nfs/dbraw/zinc/51/93/05/938519305.db2.gz ILXGKWQRDBTMEK-QHAWAJNXSA-N 2 0 351.494 3.623 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)CC1 ZINC000132751551 938539299 /nfs/dbraw/zinc/53/92/99/938539299.db2.gz KJFAITQNCMDLLK-FQEVSTJZSA-N 2 0 356.535 3.872 20 0 FHADRP CC(C)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132992128 938553386 /nfs/dbraw/zinc/55/33/86/938553386.db2.gz IHKMYHRBWWEVGU-MOPGFXCFSA-N 2 0 360.542 3.873 20 0 FHADRP Cc1csc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279657736 938637980 /nfs/dbraw/zinc/63/79/80/938637980.db2.gz LIHKZYAIUVNXIP-SFHVURJKSA-N 2 0 355.979 3.559 20 0 FHADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000657837417 938663833 /nfs/dbraw/zinc/66/38/33/938663833.db2.gz ZVWDBCINIBTXQC-HSZRJFAPSA-N 2 0 357.586 3.880 20 0 FHADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000584289839 938672274 /nfs/dbraw/zinc/67/22/74/938672274.db2.gz LUVMRGSWTAOCLH-UYAOXDASSA-N 2 0 365.521 3.691 20 0 FHADRP c1ccc(CN2CC[C@H]([NH2+]CCc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000584290752 938673056 /nfs/dbraw/zinc/67/30/56/938673056.db2.gz CXPYGRCVUXOEPG-FQEVSTJZSA-N 2 0 364.489 3.745 20 0 FHADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000584307407 938679605 /nfs/dbraw/zinc/67/96/05/938679605.db2.gz JDZQKAVYDQZXSS-CRAIPNDOSA-N 2 0 373.463 3.652 20 0 FHADRP CN(Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584351075 938696187 /nfs/dbraw/zinc/69/61/87/938696187.db2.gz PKEMABDBEUIKMJ-WCRBZPEASA-N 2 0 366.553 3.944 20 0 FHADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000089673942 938862716 /nfs/dbraw/zinc/86/27/16/938862716.db2.gz WLQBDZLFFDYJFG-LPHOPBHVSA-N 2 0 372.532 3.888 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285129 938899246 /nfs/dbraw/zinc/89/92/46/938899246.db2.gz KNDHXJFKPPHELO-LJQANCHMSA-N 2 0 369.475 3.774 20 0 FHADRP Cc1ccc([C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C2CC2)cc1 ZINC000091368219 938900445 /nfs/dbraw/zinc/90/04/45/938900445.db2.gz IDCJOXHJMLXFHF-JOCHJYFZSA-N 2 0 371.569 3.662 20 0 FHADRP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000657864842 938904893 /nfs/dbraw/zinc/90/48/93/938904893.db2.gz SAUKBZDTNYZNFN-IBGZPJMESA-N 2 0 369.597 3.645 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCCSCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000657872569 938953199 /nfs/dbraw/zinc/95/31/99/938953199.db2.gz OCCSADQBKQWDDX-NVXWUHKLSA-N 2 0 351.535 3.514 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000431571141 938978069 /nfs/dbraw/zinc/97/80/69/938978069.db2.gz OKQBZROGDIUFSG-HXUWFJFHSA-N 2 0 363.590 3.515 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000431571137 938978125 /nfs/dbraw/zinc/97/81/25/938978125.db2.gz OKQBZROGDIUFSG-FQEVSTJZSA-N 2 0 363.590 3.515 20 0 FHADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506021720 945219711 /nfs/dbraw/zinc/21/97/11/945219711.db2.gz HIXCNBSWFLGEAJ-MRXNPFEDSA-N 2 0 352.469 3.850 20 0 FHADRP c1cc([C@H]2CCCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000685438180 938987144 /nfs/dbraw/zinc/98/71/44/938987144.db2.gz YLKSZWGASQSMLA-OAQYLSRUSA-N 2 0 354.498 3.612 20 0 FHADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(Cl)ccc2cccnc21 ZINC000685450782 938987415 /nfs/dbraw/zinc/98/74/15/938987415.db2.gz NGPIKEDPPFRAQQ-UHFFFAOYSA-N 2 0 362.949 3.594 20 0 FHADRP c1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000685452298 938987570 /nfs/dbraw/zinc/98/75/70/938987570.db2.gz CUNGFVSYUAKFOT-QFIPXVFZSA-N 2 0 351.494 3.893 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(-c2ccccc2)n1 ZINC000685456043 938987757 /nfs/dbraw/zinc/98/77/57/938987757.db2.gz NNBZRDNVGBHFMN-FQEVSTJZSA-N 2 0 372.582 3.658 20 0 FHADRP Cc1cccc2nc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn21 ZINC000647363666 938993255 /nfs/dbraw/zinc/99/32/55/938993255.db2.gz GNPFMWFIDXZOLE-NUNAXRQHSA-N 2 0 374.532 3.970 20 0 FHADRP CN(c1ccccc1C[NH2+]Cc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC000466918357 939000146 /nfs/dbraw/zinc/00/01/46/939000146.db2.gz LSNUCNAQURRCNU-UHFFFAOYSA-N 2 0 362.521 3.988 20 0 FHADRP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1cncn1C ZINC000657982043 939015999 /nfs/dbraw/zinc/01/59/99/939015999.db2.gz LHNKYZFRDSJAEB-QGZVFWFLSA-N 2 0 350.304 3.582 20 0 FHADRP C[C@H]([NH2+]CCc1noc2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000658066408 939021508 /nfs/dbraw/zinc/02/15/08/939021508.db2.gz LIULIGMJTXSNTC-INIZCTEOSA-N 2 0 353.466 3.662 20 0 FHADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067161 939021560 /nfs/dbraw/zinc/02/15/60/939021560.db2.gz KRFZSXLPLOAKFC-FCHUYYIVSA-N 2 0 360.517 3.942 20 0 FHADRP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658068231 939021788 /nfs/dbraw/zinc/02/17/88/939021788.db2.gz VGYWVHXCCMKVMC-NZQKXSOJSA-N 2 0 372.553 3.635 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nccc2ccccc21 ZINC000658071098 939022003 /nfs/dbraw/zinc/02/20/03/939022003.db2.gz UKCHQEYFTZNNNC-KRWDZBQOSA-N 2 0 353.510 3.776 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658136737 939031051 /nfs/dbraw/zinc/03/10/51/939031051.db2.gz FAHCWEMKQMNHMM-UNMCSNQZSA-N 2 0 353.510 3.525 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@H](C)C1 ZINC000658126667 939033791 /nfs/dbraw/zinc/03/37/91/939033791.db2.gz HCSFSNWGRNMSFO-NQIIRXRSSA-N 2 0 355.526 3.504 20 0 FHADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140204 939034937 /nfs/dbraw/zinc/03/49/37/939034937.db2.gz UHBZCJHLRFMARM-YADHBBJMSA-N 2 0 350.506 3.647 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000658143563 939036508 /nfs/dbraw/zinc/03/65/08/939036508.db2.gz ZIHJFUMDWVEVHB-HNAYVOBHSA-N 2 0 374.912 3.766 20 0 FHADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143488 939036693 /nfs/dbraw/zinc/03/66/93/939036693.db2.gz YYLWTVSPXYRHBA-HFXUHXBXSA-N 2 0 368.496 3.806 20 0 FHADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CCC2)o1 ZINC000658140919 939043375 /nfs/dbraw/zinc/04/33/75/939043375.db2.gz VXVGJQVPUIXKTH-IRLDBZIGSA-N 2 0 354.494 3.786 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cnn1C(C)C ZINC000658164816 939052548 /nfs/dbraw/zinc/05/25/48/939052548.db2.gz FQSFQIGZRONLMQ-KRWDZBQOSA-N 2 0 355.530 3.730 20 0 FHADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165749 939053262 /nfs/dbraw/zinc/05/32/62/939053262.db2.gz LIPMNJGIMJRRKU-NRFANRHFSA-N 2 0 369.484 3.936 20 0 FHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC ZINC000658356187 939125011 /nfs/dbraw/zinc/12/50/11/939125011.db2.gz MSKWQYRYUDLQSN-IRXDYDNUSA-N 2 0 360.542 3.907 20 0 FHADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366513 939133714 /nfs/dbraw/zinc/13/37/14/939133714.db2.gz RNDRSPWZRHFIQR-JTHBVZDNSA-N 2 0 365.521 3.817 20 0 FHADRP COc1c(O)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472372466 939173608 /nfs/dbraw/zinc/17/36/08/939173608.db2.gz XPHJXNIVPPSAFH-WOJBJXKFSA-N 2 0 354.494 3.573 20 0 FHADRP C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000507478544 945262679 /nfs/dbraw/zinc/26/26/79/945262679.db2.gz MTBNJPHSSNTPSU-CQSZACIVSA-N 2 0 366.427 3.938 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414971570 945263518 /nfs/dbraw/zinc/26/35/18/945263518.db2.gz LPHHAISMUWDHIG-LJQANCHMSA-N 2 0 370.541 3.936 20 0 FHADRP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000519303205 945290162 /nfs/dbraw/zinc/29/01/62/945290162.db2.gz VVAZNSNTHGCYRF-OAQYLSRUSA-N 2 0 354.542 3.549 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177220445 940032004 /nfs/dbraw/zinc/03/20/04/940032004.db2.gz WDJMKIHEFGJUDA-KRWDZBQOSA-N 2 0 353.551 3.630 20 0 FHADRP c1cc2c(cccc2C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[nH]1 ZINC000236699548 940155058 /nfs/dbraw/zinc/15/50/58/940155058.db2.gz RKZKVKXVRHKNOY-UHFFFAOYSA-N 2 0 362.521 3.860 20 0 FHADRP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472445470 940168003 /nfs/dbraw/zinc/16/80/03/940168003.db2.gz FMTQSRZNJSUIJW-SFHLNBCPSA-N 2 0 374.573 3.584 20 0 FHADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278799796 940183212 /nfs/dbraw/zinc/18/32/12/940183212.db2.gz RCGOTVVQQSCIJM-DDBAPUKQSA-N 2 0 356.432 3.739 20 0 FHADRP CC[C@H]1C[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647497777 940377390 /nfs/dbraw/zinc/37/73/90/940377390.db2.gz VDSWRQPHDIVFOJ-JXFKEZNVSA-N 2 0 370.541 3.873 20 0 FHADRP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000156176125 940420061 /nfs/dbraw/zinc/42/00/61/940420061.db2.gz ABLDTZIKQRGXOS-HSZRJFAPSA-N 2 0 369.528 3.725 20 0 FHADRP CCc1nc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccccc1 ZINC000376177675 940424033 /nfs/dbraw/zinc/42/40/33/940424033.db2.gz JZEDFKUJUDFGBJ-GOSISDBHSA-N 2 0 370.541 3.534 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000431734567 940438734 /nfs/dbraw/zinc/43/87/34/940438734.db2.gz WSRUBZRXPHHOPP-SIKLNZKXSA-N 2 0 371.569 3.942 20 0 FHADRP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163497138 940449676 /nfs/dbraw/zinc/44/96/76/940449676.db2.gz FKMDLTABRHFJEX-KRWDZBQOSA-N 2 0 359.558 3.526 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)CN1CC[NH+](C)CC1 ZINC000414066258 940474195 /nfs/dbraw/zinc/47/41/95/940474195.db2.gz GZAZUSYBKMDTAX-YFVAEKQCSA-N 2 0 363.977 3.839 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414086387 940491338 /nfs/dbraw/zinc/49/13/38/940491338.db2.gz ZOGCPYFGVFXZOB-SFHVURJKSA-N 2 0 353.510 3.523 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCOc2cccc3ccccc32)cc1 ZINC000613268420 940498286 /nfs/dbraw/zinc/49/82/86/940498286.db2.gz LLPAKZDFDZJHCT-UHFFFAOYSA-N 2 0 364.489 3.949 20 0 FHADRP C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000613273900 940499362 /nfs/dbraw/zinc/49/93/62/940499362.db2.gz XCVPFXXHCWDUIM-DENIHFKCSA-N 2 0 360.542 3.846 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000414115664 940604440 /nfs/dbraw/zinc/60/44/40/940604440.db2.gz PRMYMYNMTPUZPZ-GOSISDBHSA-N 2 0 368.521 3.811 20 0 FHADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000414177450 940716542 /nfs/dbraw/zinc/71/65/42/940716542.db2.gz IYJMFZILTFYDDY-YSFYHYPLSA-N 2 0 362.517 3.948 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414180850 940723456 /nfs/dbraw/zinc/72/34/56/940723456.db2.gz LTOSVCRBOQEOBF-HNNXBMFYSA-N 2 0 351.454 3.715 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000613491060 940769193 /nfs/dbraw/zinc/76/91/93/940769193.db2.gz DCJXDJCVCZKUCH-IBGZPJMESA-N 2 0 368.949 3.524 20 0 FHADRP CCc1ncc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000414276580 940879863 /nfs/dbraw/zinc/87/98/63/940879863.db2.gz AKQZNSLIHIGXLT-HDICACEKSA-N 2 0 352.526 3.807 20 0 FHADRP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000414294432 940908869 /nfs/dbraw/zinc/90/88/69/940908869.db2.gz CHJZJXZUDMDUGO-NRFANRHFSA-N 2 0 371.500 3.535 20 0 FHADRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000414306215 940929225 /nfs/dbraw/zinc/92/92/25/940929225.db2.gz NXSJORMMFYKXIJ-OAQYLSRUSA-N 2 0 353.510 3.540 20 0 FHADRP CC(C)C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000414310956 940941715 /nfs/dbraw/zinc/94/17/15/940941715.db2.gz ULDRCUKPVJHTFS-JOCHJYFZSA-N 2 0 367.537 3.786 20 0 FHADRP Cc1nccn1CCCCN1CCc2c(Br)ccc(F)c2C1 ZINC000186205258 940959973 /nfs/dbraw/zinc/95/99/73/940959973.db2.gz VYTYVEZFEWGQDB-UHFFFAOYSA-N 2 0 366.278 3.932 20 0 FHADRP CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414320004 940964278 /nfs/dbraw/zinc/96/42/78/940964278.db2.gz AWCNCXBADMCBGD-LAUBAEHRSA-N 2 0 359.558 3.688 20 0 FHADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000414324598 940974309 /nfs/dbraw/zinc/97/43/09/940974309.db2.gz KSEJAMLSSSNYAH-INIZCTEOSA-N 2 0 371.550 3.605 20 0 FHADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414336468 940994856 /nfs/dbraw/zinc/99/48/56/940994856.db2.gz ZKWAKXCANYGPQA-NQSCKRDGSA-N 2 0 371.569 3.688 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CCCC[C@H]1C ZINC000414340831 941006281 /nfs/dbraw/zinc/00/62/81/941006281.db2.gz NCICMGYYMFHAGZ-HMFYCAOWSA-N 2 0 371.569 3.688 20 0 FHADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OCc3ccccn3)c1)C2 ZINC000660665144 945367990 /nfs/dbraw/zinc/36/79/90/945367990.db2.gz UXEDPMQVJCJMBQ-JOCHJYFZSA-N 2 0 351.494 3.578 20 0 FHADRP COCc1cccc(OCC2(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000660664748 945368803 /nfs/dbraw/zinc/36/88/03/945368803.db2.gz SJMLJFVZJDIXNU-JOCHJYFZSA-N 2 0 372.553 3.800 20 0 FHADRP CCc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000414362525 941049673 /nfs/dbraw/zinc/04/96/73/941049673.db2.gz VSMACPKGYBLKHC-UHFFFAOYSA-N 2 0 350.466 3.554 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(SC)cc1OC ZINC000647543933 941065879 /nfs/dbraw/zinc/06/58/79/941065879.db2.gz UPGCKVODZRMQFY-CVEARBPZSA-N 2 0 364.555 3.637 20 0 FHADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000685926512 941080839 /nfs/dbraw/zinc/08/08/39/941080839.db2.gz DDOQUMZEUHBCSE-RBUKOAKNSA-N 2 0 374.573 3.589 20 0 FHADRP c1c[nH]c([C@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000376495229 941083470 /nfs/dbraw/zinc/08/34/70/941083470.db2.gz MAQQYJWHBFOBBF-QZTJIDSGSA-N 2 0 356.518 3.667 20 0 FHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@H](C)O1 ZINC000177482612 941128807 /nfs/dbraw/zinc/12/88/07/941128807.db2.gz GZJURFATXHWSBP-CALCHBBNSA-N 2 0 357.498 3.539 20 0 FHADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000376831974 941443497 /nfs/dbraw/zinc/44/34/97/941443497.db2.gz TZKRUWQUAXXDPV-OALUTQOASA-N 2 0 370.459 3.641 20 0 FHADRP Cc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000376901030 941459321 /nfs/dbraw/zinc/45/93/21/941459321.db2.gz CCYAVDFNQFGKOU-RTBURBONSA-N 2 0 370.459 3.907 20 0 FHADRP CCC1(CNC(=O)CCCC[NH+](C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000549125936 941474243 /nfs/dbraw/zinc/47/42/43/941474243.db2.gz QWAUSJPWJIJKDH-UHFFFAOYSA-N 2 0 359.558 3.527 20 0 FHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000415022634 941546906 /nfs/dbraw/zinc/54/69/06/941546906.db2.gz JEOIDXHVDSTONE-WKILWMFISA-N 2 0 367.940 3.798 20 0 FHADRP Cc1ccc(OCc2nc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cs2)cc1 ZINC000415023948 941547375 /nfs/dbraw/zinc/54/73/75/941547375.db2.gz MFCXYCUGMQECDF-QAQDUYKDSA-N 2 0 359.539 3.885 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000415028705 941552903 /nfs/dbraw/zinc/55/29/03/941552903.db2.gz DDCRABHOXFWOLB-FUHWJXTLSA-N 2 0 350.466 3.658 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000415032720 941556198 /nfs/dbraw/zinc/55/61/98/941556198.db2.gz IELSDHWKOKKFMW-FZMZJTMJSA-N 2 0 366.328 3.790 20 0 FHADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041644 941561428 /nfs/dbraw/zinc/56/14/28/941561428.db2.gz LNLBRTAGGFJQQY-HZPDHXFCSA-N 2 0 372.431 3.600 20 0 FHADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042586 941562817 /nfs/dbraw/zinc/56/28/17/941562817.db2.gz RCNQLPUQGZKVRI-GXTWGEPZSA-N 2 0 351.903 3.593 20 0 FHADRP Fc1cc(-c2ccccc2)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044102 941562914 /nfs/dbraw/zinc/56/29/14/941562914.db2.gz AHDJZFGWXBHOLL-UHFFFAOYSA-N 2 0 367.512 3.799 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H](c2ccccc2)C1 ZINC000415044663 941568910 /nfs/dbraw/zinc/56/89/10/941568910.db2.gz AVDNGDJVAABZFA-CUQIRISMSA-N 2 0 355.570 3.765 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000415046009 941569494 /nfs/dbraw/zinc/56/94/94/941569494.db2.gz CEYRXXGUYXVRQQ-YADHBBJMSA-N 2 0 354.494 3.814 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056574 941576073 /nfs/dbraw/zinc/57/60/73/941576073.db2.gz SKNQGOMKDQCUDS-PZJWPPBQSA-N 2 0 350.510 3.814 20 0 FHADRP c1sc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000415075575 941586754 /nfs/dbraw/zinc/58/67/54/941586754.db2.gz BTEVFRPJBIIWHA-KZNAEPCWSA-N 2 0 356.539 3.648 20 0 FHADRP COc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1OC(F)F ZINC000415072041 941588898 /nfs/dbraw/zinc/58/88/98/941588898.db2.gz XMABLOPIFAFNRO-INIZCTEOSA-N 2 0 350.409 3.866 20 0 FHADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415080849 941592125 /nfs/dbraw/zinc/59/21/25/941592125.db2.gz JVVLJRKGSVDESG-GQIGUUNPSA-N 2 0 352.482 3.515 20 0 FHADRP COc1cccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415082393 941592464 /nfs/dbraw/zinc/59/24/64/941592464.db2.gz LRCUWLSTIWZIPI-NRFANRHFSA-N 2 0 358.457 3.522 20 0 FHADRP CC[NH+]1CCN(c2cccc(N[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000415092459 941601618 /nfs/dbraw/zinc/60/16/18/941601618.db2.gz AQXYOJVCCPGNCD-JTHBVZDNSA-N 2 0 364.537 3.734 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000415105669 941608317 /nfs/dbraw/zinc/60/83/17/941608317.db2.gz IPFQXBNVSNNZCU-MSOLQXFVSA-N 2 0 356.432 3.732 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)C1 ZINC000415118922 941614559 /nfs/dbraw/zinc/61/45/59/941614559.db2.gz DSNCEHXKHFFNOC-WBVHZDCISA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000415128540 941622257 /nfs/dbraw/zinc/62/22/57/941622257.db2.gz OHRNKGRWIDDFQP-FCHUYYIVSA-N 2 0 358.526 3.726 20 0 FHADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130419 941623496 /nfs/dbraw/zinc/62/34/96/941623496.db2.gz RAPGVMNTTZTUGC-XLIONFOSSA-N 2 0 354.494 3.691 20 0 FHADRP CC(C)(C)c1ncc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415133338 941625245 /nfs/dbraw/zinc/62/52/45/941625245.db2.gz NAJFVWYSORAZJB-UHFFFAOYSA-N 2 0 372.582 3.524 20 0 FHADRP Cc1cn2cc(NC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)ccc2n1 ZINC000472751389 941679669 /nfs/dbraw/zinc/67/96/69/941679669.db2.gz NSAJQKPMIKUWJJ-KRWDZBQOSA-N 2 0 365.481 3.675 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659843147 941711085 /nfs/dbraw/zinc/71/10/85/941711085.db2.gz LKNNMDNSJIJUBU-IBGZPJMESA-N 2 0 361.555 3.543 20 0 FHADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797805 941711834 /nfs/dbraw/zinc/71/18/34/941711834.db2.gz CQEOPQYYILFCMR-VNHYZAJKSA-N 2 0 357.723 3.623 20 0 FHADRP CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770648 941732401 /nfs/dbraw/zinc/73/24/01/941732401.db2.gz MKBMZRDCZRWIBJ-BAGYTPMASA-N 2 0 356.485 3.749 20 0 FHADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000549246446 941733435 /nfs/dbraw/zinc/73/34/35/941733435.db2.gz XFVOFAYIUFIMNF-ROUUACIJSA-N 2 0 369.557 3.732 20 0 FHADRP C[C@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513195458 941770684 /nfs/dbraw/zinc/77/06/84/941770684.db2.gz BVQPWLXZODHSHO-HFZJXRFXSA-N 2 0 374.492 3.997 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000513332348 941857947 /nfs/dbraw/zinc/85/79/47/941857947.db2.gz ZXCHXBIYFHLSOU-HKUYNNGSSA-N 2 0 364.603 3.911 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000513336906 941859623 /nfs/dbraw/zinc/85/96/23/941859623.db2.gz XUWLDBUFBWWMDS-IYBDPMFKSA-N 2 0 366.933 3.670 20 0 FHADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000518774446 941867011 /nfs/dbraw/zinc/86/70/11/941867011.db2.gz IFGFTEJKNZNOLW-UHFFFAOYSA-N 2 0 367.537 3.842 20 0 FHADRP CCC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000513454853 941932185 /nfs/dbraw/zinc/93/21/85/941932185.db2.gz ILSWPLQZIUZRKZ-QFIPXVFZSA-N 2 0 373.585 3.998 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCN(CC(C)(C)C)C2=O)c1 ZINC000460662451 941943106 /nfs/dbraw/zinc/94/31/06/941943106.db2.gz GLNFEMDWRDZZIA-HXUWFJFHSA-N 2 0 359.558 3.655 20 0 FHADRP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000430022608 941990415 /nfs/dbraw/zinc/99/04/15/941990415.db2.gz LSXPWTHRYRXDSC-SFHVURJKSA-N 2 0 356.514 3.625 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523823 941995500 /nfs/dbraw/zinc/99/55/00/941995500.db2.gz CLECJKXUHNWDNS-KNQAVFIVSA-N 2 0 352.526 3.862 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000433955509 942016093 /nfs/dbraw/zinc/01/60/93/942016093.db2.gz OIKIRTLSTYMHGK-AGOPTVSRSA-N 2 0 374.573 3.756 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000513627715 942053405 /nfs/dbraw/zinc/05/34/05/942053405.db2.gz XSTLQRDLPAVILM-VXKWHMMOSA-N 2 0 365.521 3.704 20 0 FHADRP CCOc1ccc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cc1F ZINC000377901055 942060208 /nfs/dbraw/zinc/06/02/08/942060208.db2.gz FNDKQJJSHBZMBC-UHFFFAOYSA-N 2 0 371.500 3.758 20 0 FHADRP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513661847 942070780 /nfs/dbraw/zinc/07/07/80/942070780.db2.gz RERAOVSYPHUGDG-PCCBWWKXSA-N 2 0 371.569 3.572 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC000501869987 942090503 /nfs/dbraw/zinc/09/05/03/942090503.db2.gz KGEMABYNJHVWNO-UHFFFAOYSA-N 2 0 363.977 3.936 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415883813 942109480 /nfs/dbraw/zinc/10/94/80/942109480.db2.gz OIXBENSWENESDL-INIZCTEOSA-N 2 0 366.509 3.583 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415891507 942111855 /nfs/dbraw/zinc/11/18/55/942111855.db2.gz GQEADQCGNHYSLH-UHFFFAOYSA-N 2 0 372.557 3.697 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccccc1 ZINC000415901852 942120971 /nfs/dbraw/zinc/12/09/71/942120971.db2.gz NOEDQUJTWILTAN-HXUWFJFHSA-N 2 0 354.498 3.611 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415914085 942136887 /nfs/dbraw/zinc/13/68/87/942136887.db2.gz UMEWZKFYAROXPG-FQEVSTJZSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415910977 942144520 /nfs/dbraw/zinc/14/45/20/942144520.db2.gz IRNANLLHXUXNHX-MSOLQXFVSA-N 2 0 366.509 3.533 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415921615 942149342 /nfs/dbraw/zinc/14/93/42/942149342.db2.gz RVLLRCZJEMPKSP-UHFFFAOYSA-N 2 0 368.525 3.782 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000415923548 942153395 /nfs/dbraw/zinc/15/33/95/942153395.db2.gz WKCVTFVOOHWTNS-QGZVFWFLSA-N 2 0 372.538 3.501 20 0 FHADRP CC[C@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@@H+]1Cc1ccccc1 ZINC000415919372 942155343 /nfs/dbraw/zinc/15/53/43/942155343.db2.gz HRLMDPFCFVIGNB-FQEVSTJZSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000415933012 942158726 /nfs/dbraw/zinc/15/87/26/942158726.db2.gz PCFULFBGHRTTMU-CRAIPNDOSA-N 2 0 358.486 3.640 20 0 FHADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000502002658 942164067 /nfs/dbraw/zinc/16/40/67/942164067.db2.gz BALYZYOWDMDIPN-JTHBVZDNSA-N 2 0 373.585 3.691 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C(C)C ZINC000415949808 942184732 /nfs/dbraw/zinc/18/47/32/942184732.db2.gz GSYIBPOVVNPVCJ-UHFFFAOYSA-N 2 0 374.451 3.747 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000415953344 942193587 /nfs/dbraw/zinc/19/35/87/942193587.db2.gz LEGMTJWOGNRHKK-RBUKOAKNSA-N 2 0 372.557 3.914 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000415956219 942198055 /nfs/dbraw/zinc/19/80/55/942198055.db2.gz NTNFTJZBNFUKGH-FQEVSTJZSA-N 2 0 366.509 3.582 20 0 FHADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415962253 942200975 /nfs/dbraw/zinc/20/09/75/942200975.db2.gz SKAJGNSKKPTCQI-INIZCTEOSA-N 2 0 372.435 3.502 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415977914 942220726 /nfs/dbraw/zinc/22/07/26/942220726.db2.gz OUYAGXRRANTEBA-UHFFFAOYSA-N 2 0 366.509 3.521 20 0 FHADRP C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCCC1)c1ccccc1 ZINC000415976274 942228419 /nfs/dbraw/zinc/22/84/19/942228419.db2.gz MXDBTDNHKLKURM-KRWDZBQOSA-N 2 0 366.509 3.930 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000415996934 942246456 /nfs/dbraw/zinc/24/64/56/942246456.db2.gz OJXFOAYHMHDORT-OAHLLOKOSA-N 2 0 352.482 3.541 20 0 FHADRP COCC[N@H+](Cc1ccc(CN2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000420906540 942247856 /nfs/dbraw/zinc/24/78/56/942247856.db2.gz SMDJIAJTVIFEDE-FQEVSTJZSA-N 2 0 368.521 3.728 20 0 FHADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000501040452 942270486 /nfs/dbraw/zinc/27/04/86/942270486.db2.gz ZYIGKXDYMWCMLH-DQEVTTJGSA-N 2 0 370.459 3.992 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000431856879 942285075 /nfs/dbraw/zinc/28/50/75/942285075.db2.gz KAWKBOOQJSMNJR-FPOVZHCZSA-N 2 0 363.590 3.754 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000584556730 942300782 /nfs/dbraw/zinc/30/07/82/942300782.db2.gz REMZQOQTHGDYCA-WAYWQWQTSA-N 2 0 352.469 3.801 20 0 FHADRP C[N@@H+](CC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085439 942302163 /nfs/dbraw/zinc/30/21/63/942302163.db2.gz ZMVLVCNXNPQWGG-UHFFFAOYSA-N 2 0 372.900 3.522 20 0 FHADRP Clc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000419695332 942354575 /nfs/dbraw/zinc/35/45/75/942354575.db2.gz RVUZIOGTOHONSO-ILXRZTDVSA-N 2 0 354.325 3.789 20 0 FHADRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)cc1F ZINC000378182732 942359571 /nfs/dbraw/zinc/35/95/71/942359571.db2.gz KEBKSJXFRPQRMC-MRXNPFEDSA-N 2 0 365.512 3.812 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000378192508 942375380 /nfs/dbraw/zinc/37/53/80/942375380.db2.gz ZGHDKOACGGMCKC-IXDOHACOSA-N 2 0 370.006 3.901 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000387708115 942377255 /nfs/dbraw/zinc/37/72/55/942377255.db2.gz QNSBROKUHZBSJB-UHFFFAOYSA-N 2 0 362.315 3.976 20 0 FHADRP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501285810 942388533 /nfs/dbraw/zinc/38/85/33/942388533.db2.gz RGUMXTXVJRXQTA-ILWGZMRPSA-N 2 0 371.569 3.935 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC1CCCC1 ZINC000513712237 942413186 /nfs/dbraw/zinc/41/31/86/942413186.db2.gz AYZXVFOIAOIAGY-AQNXPRMDSA-N 2 0 358.526 3.979 20 0 FHADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000501386640 942442295 /nfs/dbraw/zinc/44/22/95/942442295.db2.gz MCRIOABJLCHZIM-HXUWFJFHSA-N 2 0 352.522 3.912 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000505292554 942451415 /nfs/dbraw/zinc/45/14/15/942451415.db2.gz WNMAMQUGBPSDAP-QFIPXVFZSA-N 2 0 371.569 3.794 20 0 FHADRP CCCC[NH+](CCCC)CCNc1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001167732695 942465067 /nfs/dbraw/zinc/46/50/67/942465067.db2.gz ALOAQDOWSOTNAC-IBGZPJMESA-N 2 0 359.562 3.600 20 0 FHADRP c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414829861 942479708 /nfs/dbraw/zinc/47/97/08/942479708.db2.gz OHPNZILSLJMVNL-AIZNXBIQSA-N 2 0 372.516 3.971 20 0 FHADRP c1ccc(CN2CCC([NH2+]C[C@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000181098755 942484811 /nfs/dbraw/zinc/48/48/11/942484811.db2.gz XQLKFQVTTMNAFT-NRFANRHFSA-N 2 0 358.526 3.707 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000501473907 942492541 /nfs/dbraw/zinc/49/25/41/942492541.db2.gz DDSFQUFGNPUPQW-JQIJEIRASA-N 2 0 369.475 3.724 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421360234 942513255 /nfs/dbraw/zinc/51/32/55/942513255.db2.gz ZBMIWNMXHNCRME-UHFFFAOYSA-N 2 0 371.569 3.624 20 0 FHADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3ccccc3)o2)(N2CCCCC2)CC1 ZINC000237067038 942515422 /nfs/dbraw/zinc/51/54/22/942515422.db2.gz AZEIJCBBZHEUGD-UHFFFAOYSA-N 2 0 367.537 3.987 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCCCCOc3ccccc3)CC2)CC1 ZINC000421365662 942517151 /nfs/dbraw/zinc/51/71/51/942517151.db2.gz BOFIEWWMHBIOTC-UHFFFAOYSA-N 2 0 373.585 3.728 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000421372688 942523807 /nfs/dbraw/zinc/52/38/07/942523807.db2.gz LIFQFVKQKNAETE-LJQANCHMSA-N 2 0 361.549 3.639 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421383547 942536835 /nfs/dbraw/zinc/53/68/35/942536835.db2.gz ZHFJVSKWFWUIKZ-JQRITLKVSA-N 2 0 357.311 3.982 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000513825097 942555042 /nfs/dbraw/zinc/55/50/42/942555042.db2.gz VZRZWQAUJSAMAO-AVRDEDQJSA-N 2 0 367.537 3.950 20 0 FHADRP CCCC[NH+](CCCC)CCNc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001167735051 942564761 /nfs/dbraw/zinc/56/47/61/942564761.db2.gz VGVZSXVRHCWSQK-UHFFFAOYSA-N 2 0 372.557 3.574 20 0 FHADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000414841442 942566452 /nfs/dbraw/zinc/56/64/52/942566452.db2.gz OIDAVIKEYCQOJW-AWEZNQCLSA-N 2 0 360.420 3.506 20 0 FHADRP CC[C@@H](C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1)CC(F)(F)F ZINC000414518541 942570885 /nfs/dbraw/zinc/57/08/85/942570885.db2.gz VBYXPDRCFCNVHX-MRXNPFEDSA-N 2 0 357.464 3.897 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@H]2CCCO2)c1 ZINC000513718169 942576470 /nfs/dbraw/zinc/57/64/70/942576470.db2.gz VZUKXCQREHOOGM-XRXFAXGQSA-N 2 0 358.526 3.515 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000420300997 942611225 /nfs/dbraw/zinc/61/12/25/942611225.db2.gz IHPFAQNYCHGSDM-LAUBAEHRSA-N 2 0 370.493 3.592 20 0 FHADRP C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420304149 942611939 /nfs/dbraw/zinc/61/19/39/942611939.db2.gz LAUHAWVYQCTLGU-KRWDZBQOSA-N 2 0 358.505 3.860 20 0 FHADRP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000420307091 942612846 /nfs/dbraw/zinc/61/28/46/942612846.db2.gz QYYKXZVKKYMSCM-HQZQWKOLSA-N 2 0 363.590 3.560 20 0 FHADRP COc1ccccc1CCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420311549 942615093 /nfs/dbraw/zinc/61/50/93/942615093.db2.gz NNNPHQCCMCRRFK-NRFANRHFSA-N 2 0 353.510 3.667 20 0 FHADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420311384 942615407 /nfs/dbraw/zinc/61/54/07/942615407.db2.gz VSIQOCDVIHLLMN-IUODEOHRSA-N 2 0 355.345 3.917 20 0 FHADRP c1ccc(COCCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000420312644 942615971 /nfs/dbraw/zinc/61/59/71/942615971.db2.gz OOCBUHGCNPRHGY-QFIPXVFZSA-N 2 0 353.510 3.633 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420324604 942617635 /nfs/dbraw/zinc/61/76/35/942617635.db2.gz ZXDJJGBLDKLBFP-OAHLLOKOSA-N 2 0 358.507 3.509 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000420318656 942618975 /nfs/dbraw/zinc/61/89/75/942618975.db2.gz OHZXMJXSRXTEOZ-LJQANCHMSA-N 2 0 353.510 3.622 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342578 942619071 /nfs/dbraw/zinc/61/90/71/942619071.db2.gz OZOYAADPSDMXTH-DCGLDWPTSA-N 2 0 352.935 3.869 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420344526 942625741 /nfs/dbraw/zinc/62/57/41/942625741.db2.gz UAMPKJTWKDMGQI-JOCHJYFZSA-N 2 0 363.505 3.903 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346224 942628115 /nfs/dbraw/zinc/62/81/15/942628115.db2.gz XTRHGPYSKCOWSK-UZLBHIALSA-N 2 0 357.542 3.602 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367898 942642947 /nfs/dbraw/zinc/64/29/47/942642947.db2.gz AIMFXHXUQUXQML-FSPWUOQZSA-N 2 0 367.331 3.728 20 0 FHADRP Brc1cccc(OC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420381504 942647357 /nfs/dbraw/zinc/64/73/57/942647357.db2.gz XLDSUGIUEQXNDX-OAHLLOKOSA-N 2 0 367.331 3.682 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000420390211 942652165 /nfs/dbraw/zinc/65/21/65/942652165.db2.gz ZAPLONWNKALALN-DHIUTWEWSA-N 2 0 368.521 3.827 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420396920 942655074 /nfs/dbraw/zinc/65/50/74/942655074.db2.gz WSWUJNUQBQDVAY-JEBQAFNWSA-N 2 0 356.432 3.985 20 0 FHADRP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501776423 942667450 /nfs/dbraw/zinc/66/74/50/942667450.db2.gz OAUYRKKPVBMLLQ-FQEVSTJZSA-N 2 0 373.585 3.866 20 0 FHADRP CC[N@H+](CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C(C)C ZINC000502761035 942722376 /nfs/dbraw/zinc/72/23/76/942722376.db2.gz FTPZFAATCLWMHT-IBGZPJMESA-N 2 0 374.573 3.680 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2nnc(C3CC3)s2)C[N@@H+]1Cc1ccccc1 ZINC000893227563 942726588 /nfs/dbraw/zinc/72/65/88/942726588.db2.gz ZRPQBTSETKSHBC-RDJZCZTQSA-N 2 0 356.539 3.806 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(Cl)c1 ZINC000378405663 942732085 /nfs/dbraw/zinc/73/20/85/942732085.db2.gz SAVJAEMZWFJMJR-XWPNQZOQSA-N 2 0 366.933 3.507 20 0 FHADRP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCCO[C@H]4CCCCO4)CC[C@@H]32)cc1 ZINC000514081770 942733027 /nfs/dbraw/zinc/73/30/27/942733027.db2.gz CSWSQXOIEHMSGX-VJBWXMMDSA-N 2 0 372.553 3.906 20 0 FHADRP CC(C)Cc1cccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000514086904 942737063 /nfs/dbraw/zinc/73/70/63/942737063.db2.gz DOIRMJUJVZBARD-IBGZPJMESA-N 2 0 366.553 3.883 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000514099078 942757910 /nfs/dbraw/zinc/75/79/10/942757910.db2.gz LQVLBANNAOBFLP-LSDVVMKASA-N 2 0 367.581 3.894 20 0 FHADRP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](CCCO[C@@H]2CCCCO2)CC3)cc1 ZINC000514118621 942767066 /nfs/dbraw/zinc/76/70/66/942767066.db2.gz LKBYGBDKTJEVKE-JOCHJYFZSA-N 2 0 372.553 3.908 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC000502817694 942768558 /nfs/dbraw/zinc/76/85/58/942768558.db2.gz XJAVAFLXBZRELY-RBUKOAKNSA-N 2 0 374.573 3.535 20 0 FHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000659991948 942792545 /nfs/dbraw/zinc/79/25/45/942792545.db2.gz DHYYLRVDMYJRJT-DHIUTWEWSA-N 2 0 355.570 3.671 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470057 942800407 /nfs/dbraw/zinc/80/04/07/942800407.db2.gz AQJCOMFDUQHUEF-HZUJVAHNSA-N 2 0 352.482 3.900 20 0 FHADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000522735781 942811066 /nfs/dbraw/zinc/81/10/66/942811066.db2.gz PTSHFJNCWYAXGN-SFHVURJKSA-N 2 0 361.505 3.598 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1C[NH+]1CCCCC1 ZINC000183011975 942815753 /nfs/dbraw/zinc/81/57/53/942815753.db2.gz VVYHWHDBOGUYKE-QFUCXCTJSA-N 2 0 360.542 3.883 20 0 FHADRP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000421834185 942838363 /nfs/dbraw/zinc/83/83/63/942838363.db2.gz KFMLTVHFBOEWBG-CQSZACIVSA-N 2 0 363.889 3.535 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421819190 942845639 /nfs/dbraw/zinc/84/56/39/942845639.db2.gz FQGNBMPFIBSDFZ-QGZVFWFLSA-N 2 0 372.944 3.723 20 0 FHADRP Cc1ccc2c(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccc(O)c2n1 ZINC000514248351 942849683 /nfs/dbraw/zinc/84/96/83/942849683.db2.gz ORKPNTZSHUCPOE-FUHWJXTLSA-N 2 0 353.510 3.991 20 0 FHADRP COC1([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000421860743 942851573 /nfs/dbraw/zinc/85/15/73/942851573.db2.gz VAUTWYHEGJWDSE-SFHVURJKSA-N 2 0 360.542 3.987 20 0 FHADRP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000502919067 942856238 /nfs/dbraw/zinc/85/62/38/942856238.db2.gz OIGFUWGELDSIEI-QYZOEREBSA-N 2 0 374.573 3.535 20 0 FHADRP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414572505 943000993 /nfs/dbraw/zinc/00/09/93/943000993.db2.gz XBTWYGZBNPXFOH-INIZCTEOSA-N 2 0 366.484 3.902 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000272161664 943103362 /nfs/dbraw/zinc/10/33/62/943103362.db2.gz HUSUFSNTASSFCZ-SFHVURJKSA-N 2 0 359.558 3.721 20 0 FHADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000272335559 943139392 /nfs/dbraw/zinc/13/93/92/943139392.db2.gz AUTUZSHEXPPUGI-NRFANRHFSA-N 2 0 371.544 3.910 20 0 FHADRP C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361831 943143156 /nfs/dbraw/zinc/14/31/56/943143156.db2.gz SGLSARDCRAURIW-FPOVZHCZSA-N 2 0 355.570 3.894 20 0 FHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414662923 943148796 /nfs/dbraw/zinc/14/87/96/943148796.db2.gz QSWDGTGDOBQABD-IBGZPJMESA-N 2 0 355.530 3.865 20 0 FHADRP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000514634318 943165783 /nfs/dbraw/zinc/16/57/83/943165783.db2.gz FGYKMMNGJOBIOD-JXFKEZNVSA-N 2 0 368.477 3.649 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000414672496 943191044 /nfs/dbraw/zinc/19/10/44/943191044.db2.gz PNHWTENFKVMYAI-VDGAXYAQSA-N 2 0 362.477 3.610 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000414671297 943195371 /nfs/dbraw/zinc/19/53/71/943195371.db2.gz MHQXEXLXZUAAPL-MRXNPFEDSA-N 2 0 353.514 3.619 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000514670434 943203644 /nfs/dbraw/zinc/20/36/44/943203644.db2.gz DATOREPQCZNUEW-MOPGFXCFSA-N 2 0 373.928 3.785 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000272774819 943218595 /nfs/dbraw/zinc/21/85/95/943218595.db2.gz UDXTUPQYTZQEMK-GAJHUEQPSA-N 2 0 366.505 3.524 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000272774826 943218725 /nfs/dbraw/zinc/21/87/25/943218725.db2.gz UDXTUPQYTZQEMK-SBUREZEXSA-N 2 0 366.505 3.524 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000422696104 943235340 /nfs/dbraw/zinc/23/53/40/943235340.db2.gz QSMILSJQBHRLDM-ARFHVFGLSA-N 2 0 354.441 3.697 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422698738 943236758 /nfs/dbraw/zinc/23/67/58/943236758.db2.gz AUAAIUQNIIHXKP-DJIMGWMZSA-N 2 0 350.890 3.512 20 0 FHADRP CC[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422704867 943239991 /nfs/dbraw/zinc/23/99/91/943239991.db2.gz ARBIFXIMYPFWAF-OALUTQOASA-N 2 0 369.475 3.790 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706652 943240920 /nfs/dbraw/zinc/24/09/20/943240920.db2.gz FRSLSMMNSASFOQ-FXAWDEMLSA-N 2 0 355.457 3.685 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC[NH2+]CC1 ZINC000422708972 943242093 /nfs/dbraw/zinc/24/20/93/943242093.db2.gz CNUATFDDCRWWKW-KXBFYZLASA-N 2 0 362.489 3.578 20 0 FHADRP Clc1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422709431 943242877 /nfs/dbraw/zinc/24/28/77/943242877.db2.gz DGPRIIFHRKLPKY-ICSRJNTNSA-N 2 0 358.869 3.564 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000422730690 943249359 /nfs/dbraw/zinc/24/93/59/943249359.db2.gz FFRZWLHUDPZDMS-MBSDFSHPSA-N 2 0 366.553 3.973 20 0 FHADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422731579 943249651 /nfs/dbraw/zinc/24/96/51/943249651.db2.gz NRAJSEQMHWBZTD-ACJLOTCBSA-N 2 0 356.341 3.688 20 0 FHADRP COc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)cc1OC ZINC000422735395 943251855 /nfs/dbraw/zinc/25/18/55/943251855.db2.gz UPKDWCBWCBHMQO-DFNIBXOVSA-N 2 0 358.526 3.778 20 0 FHADRP COc1ccc([C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422720613 943258054 /nfs/dbraw/zinc/25/80/54/943258054.db2.gz ZUGWEISKDIAOEO-BDTNDASRSA-N 2 0 371.500 3.520 20 0 FHADRP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422723515 943259057 /nfs/dbraw/zinc/25/90/57/943259057.db2.gz RQRSJOYTJFFIEU-BHYGNILZSA-N 2 0 352.906 3.758 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC(C)C)c1 ZINC000422723277 943259211 /nfs/dbraw/zinc/25/92/11/943259211.db2.gz QSTTYTSPBYXPHW-HNNXBMFYSA-N 2 0 354.498 3.684 20 0 FHADRP C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422757794 943262280 /nfs/dbraw/zinc/26/22/80/943262280.db2.gz IYZXRTXOKMVNOL-RGIVZKHGSA-N 2 0 369.475 3.818 20 0 FHADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758745 943263069 /nfs/dbraw/zinc/26/30/69/943263069.db2.gz JWLPBTLYMHWJDZ-IQVOZAENSA-N 2 0 374.431 3.578 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000422758664 943263113 /nfs/dbraw/zinc/26/31/13/943263113.db2.gz JQXVURMFUNRNNK-NJDAHSKKSA-N 2 0 360.517 3.774 20 0 FHADRP Fc1ccccc1CSCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758447 943263474 /nfs/dbraw/zinc/26/34/74/943263474.db2.gz DUTSZYGBUPFKBR-TZIWHRDSSA-N 2 0 372.509 3.904 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422762095 943265434 /nfs/dbraw/zinc/26/54/34/943265434.db2.gz NKBGYYXPEOBWRE-CRAIPNDOSA-N 2 0 370.459 3.861 20 0 FHADRP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422755020 943272866 /nfs/dbraw/zinc/27/28/66/943272866.db2.gz HOYNKEHFPAWNKU-MAUKXSAKSA-N 2 0 370.459 3.874 20 0 FHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752397 943273011 /nfs/dbraw/zinc/27/30/11/943273011.db2.gz CTNAKJJTPRGVPY-ZLLBNUPZSA-N 2 0 358.526 3.673 20 0 FHADRP CC[C@@H]1C[C@H](C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000503576980 943273031 /nfs/dbraw/zinc/27/30/31/943273031.db2.gz SYOPSABAZKMSPS-FYYLOGMGSA-N 2 0 373.585 3.692 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755476 943273651 /nfs/dbraw/zinc/27/36/51/943273651.db2.gz HYVXVFVGZOFTEB-DNGCBJQESA-N 2 0 371.569 3.588 20 0 FHADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422766816 943274718 /nfs/dbraw/zinc/27/47/18/943274718.db2.gz RIZZUPRTZBEECG-UTKZUKDTSA-N 2 0 372.940 3.936 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422756823 943274851 /nfs/dbraw/zinc/27/48/51/943274851.db2.gz IDYDLCFGJSNIER-BZZMCLGOSA-N 2 0 355.448 3.558 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(OC)cc2)cc1 ZINC000422770132 943276163 /nfs/dbraw/zinc/27/61/63/943276163.db2.gz PTPSQSFNCJQTDP-QNLWVQNGSA-N 2 0 366.505 3.860 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCOCC2)c1 ZINC000422769557 943276376 /nfs/dbraw/zinc/27/63/76/943276376.db2.gz VGNFVQFQVYOIJJ-SLFFLAALSA-N 2 0 362.945 3.899 20 0 FHADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768804 943276457 /nfs/dbraw/zinc/27/64/57/943276457.db2.gz UYLKECMGERJJEP-XIVBQZFQSA-N 2 0 369.475 3.676 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775197 943278255 /nfs/dbraw/zinc/27/82/55/943278255.db2.gz AMZSEQQOGXWMIC-RDJZCZTQSA-N 2 0 358.917 3.822 20 0 FHADRP Clc1ccc(OCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422786850 943282280 /nfs/dbraw/zinc/28/22/80/943282280.db2.gz SZRKCTKRJMODMN-HYVNUMGLSA-N 2 0 373.324 3.509 20 0 FHADRP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422787846 943283114 /nfs/dbraw/zinc/28/31/14/943283114.db2.gz AGQGOYHVSRESFV-YPAWHYETSA-N 2 0 370.468 3.865 20 0 FHADRP Clc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)c1 ZINC000422764459 943284975 /nfs/dbraw/zinc/28/49/75/943284975.db2.gz PQYYGSVPWGFUAL-VAMGGRTRSA-N 2 0 362.945 3.899 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Br)c1 ZINC000422799556 943287912 /nfs/dbraw/zinc/28/79/12/943287912.db2.gz XFVMQOXONMSJFK-XFKAJCMBSA-N 2 0 367.331 3.727 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422800057 943288523 /nfs/dbraw/zinc/28/85/23/943288523.db2.gz ANDPCOKWKRRCTF-LBPRGKRZSA-N 2 0 353.388 3.641 20 0 FHADRP CCOCc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422810010 943290786 /nfs/dbraw/zinc/29/07/86/943290786.db2.gz QSOIRWRCJOSPAF-IRLDBZIGSA-N 2 0 352.478 3.569 20 0 FHADRP C[C@]1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CCCS1 ZINC000628295837 943291112 /nfs/dbraw/zinc/29/11/12/943291112.db2.gz MLNUHIQPOGTJLA-LEWJYISDSA-N 2 0 374.594 3.791 20 0 FHADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422813370 943293167 /nfs/dbraw/zinc/29/31/67/943293167.db2.gz YAOXJGGZULUTEW-BPXKWBHBSA-N 2 0 353.510 3.976 20 0 FHADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422820175 943294777 /nfs/dbraw/zinc/29/47/77/943294777.db2.gz PGQJUXJHHINZDR-OAOQPFQOSA-N 2 0 354.416 3.953 20 0 FHADRP c1ccc(Oc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422792456 943294833 /nfs/dbraw/zinc/29/48/33/943294833.db2.gz ZHGRBJOBIXQUML-PCCBWWKXSA-N 2 0 352.478 3.726 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422829302 943297100 /nfs/dbraw/zinc/29/71/00/943297100.db2.gz BRKGSBJHJYESLA-CUWPLCDZSA-N 2 0 357.567 3.508 20 0 FHADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422828583 943297866 /nfs/dbraw/zinc/29/78/66/943297866.db2.gz OIPICVJXLXQACQ-HTAPYJJXSA-N 2 0 352.526 3.645 20 0 FHADRP c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422828860 943298211 /nfs/dbraw/zinc/29/82/11/943298211.db2.gz BNJRPZQZGLDKLH-BVOGOJNSSA-N 2 0 361.599 3.861 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccnc1 ZINC000422832189 943298775 /nfs/dbraw/zinc/29/87/75/943298775.db2.gz KPGABBQVJWFPPQ-ONTIZHBOSA-N 2 0 351.494 3.667 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422832153 943298977 /nfs/dbraw/zinc/29/89/77/943298977.db2.gz URMZCZVZZUHNTM-UWJYYQICSA-N 3 0 357.567 3.508 20 0 FHADRP c1ccc(C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2)cc1 ZINC000422834634 943299657 /nfs/dbraw/zinc/29/96/57/943299657.db2.gz ZYXGEKLPFGRPKQ-VSGJHWFKSA-N 3 0 363.549 3.952 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818458 943303160 /nfs/dbraw/zinc/30/31/60/943303160.db2.gz GEMQWVYTIXYLOP-FYYLOGMGSA-N 2 0 369.553 3.629 20 0 FHADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818459 943303482 /nfs/dbraw/zinc/30/34/82/943303482.db2.gz GEMQWVYTIXYLOP-GGAORHGYSA-N 2 0 369.553 3.629 20 0 FHADRP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000422860780 943308926 /nfs/dbraw/zinc/30/89/26/943308926.db2.gz NAFJPXZDZQBHDZ-YPAWHYETSA-N 2 0 352.478 3.726 20 0 FHADRP CCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422864584 943309923 /nfs/dbraw/zinc/30/99/23/943309923.db2.gz VNZYUGQTRXNIPW-GHTZIAJQSA-N 2 0 356.441 3.570 20 0 FHADRP CCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422864585 943310186 /nfs/dbraw/zinc/31/01/86/943310186.db2.gz VNZYUGQTRXNIPW-NQIIRXRSSA-N 2 0 356.441 3.570 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422867557 943311602 /nfs/dbraw/zinc/31/16/02/943311602.db2.gz SHPSJTZSJCGXOL-RHSMWYFYSA-N 2 0 352.906 3.702 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883281 943316600 /nfs/dbraw/zinc/31/66/00/943316600.db2.gz UPWVULBJPRCQOY-BQGCOEIASA-N 2 0 357.325 3.844 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422888014 943318328 /nfs/dbraw/zinc/31/83/28/943318328.db2.gz ZPSPZVNTICEWKZ-COPCDDAFSA-N 2 0 359.558 3.590 20 0 FHADRP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422889272 943318946 /nfs/dbraw/zinc/31/89/46/943318946.db2.gz PFHGGXSPUONGBX-GGAORHGYSA-N 2 0 361.489 3.946 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000422890409 943319762 /nfs/dbraw/zinc/31/97/62/943319762.db2.gz RXJXBLATFPGPSY-LNLFQRSKSA-N 3 0 366.553 3.656 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425327882 943320050 /nfs/dbraw/zinc/32/00/50/943320050.db2.gz SGDGQMOHYRYVDY-CQSZACIVSA-N 2 0 364.559 3.503 20 0 FHADRP CCOc1cc(C)ccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869440 943320783 /nfs/dbraw/zinc/32/07/83/943320783.db2.gz AAOAUPQLGLDGQP-UGKGYDQZSA-N 2 0 352.478 3.739 20 0 FHADRP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422903357 943325069 /nfs/dbraw/zinc/32/50/69/943325069.db2.gz OILUJPXUFSFJGH-YSIASYRMSA-N 2 0 356.489 3.720 20 0 FHADRP CCCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422902220 943325148 /nfs/dbraw/zinc/32/51/48/943325148.db2.gz UEWVUZVFBFVJOD-RBBKRZOGSA-N 2 0 352.478 3.821 20 0 FHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422901755 943325191 /nfs/dbraw/zinc/32/51/91/943325191.db2.gz CDAKMUOPTXLFQD-NFBKMPQASA-N 2 0 360.505 3.815 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000422904430 943325926 /nfs/dbraw/zinc/32/59/26/943325926.db2.gz XOLUXJIXXYHWKZ-DFQSSKMNSA-N 2 0 358.526 3.624 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1)C1CCCCC1 ZINC000414703611 943331264 /nfs/dbraw/zinc/33/12/64/943331264.db2.gz CNCPONRAMBCKIF-NRFANRHFSA-N 2 0 358.530 3.700 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422924362 943332688 /nfs/dbraw/zinc/33/26/88/943332688.db2.gz ASRKPEVSKVJLOC-NQIIRXRSSA-N 2 0 357.542 3.713 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCSc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000422936279 943336975 /nfs/dbraw/zinc/33/69/75/943336975.db2.gz BFYXJSDGTSLSKT-YWPYICTPSA-N 2 0 355.345 3.964 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422934584 943337136 /nfs/dbraw/zinc/33/71/36/943337136.db2.gz CRAWKAALURAXNV-LZFQIVBZSA-N 2 0 368.477 3.610 20 0 FHADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000422935631 943337726 /nfs/dbraw/zinc/33/77/26/943337726.db2.gz LFVXXWDMYCRPJK-XYPHTWIQSA-N 2 0 355.295 3.641 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000422939275 943338316 /nfs/dbraw/zinc/33/83/16/943338316.db2.gz LSWPLTVAHKRNBF-KNQAVFIVSA-N 2 0 371.569 3.511 20 0 FHADRP Brc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422938063 943338510 /nfs/dbraw/zinc/33/85/10/943338510.db2.gz PEIUVZBKZXYFDR-MJGOQNOKSA-N 2 0 373.294 3.795 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000422939425 943338902 /nfs/dbraw/zinc/33/89/02/943338902.db2.gz RLZJIFUUTNCSGM-KZULUSFZSA-N 2 0 360.299 3.949 20 0 FHADRP c1cc(COC2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422963338 943342055 /nfs/dbraw/zinc/34/20/55/943342055.db2.gz FSWKCLJEDGWFNK-DNVJHFABSA-N 2 0 372.553 3.783 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422964360 943342770 /nfs/dbraw/zinc/34/27/70/943342770.db2.gz LJZWDHKAZZSMNX-BDTNDASRSA-N 2 0 352.526 3.624 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422967854 943344156 /nfs/dbraw/zinc/34/41/56/943344156.db2.gz UNQVCVMHRLVFIL-MBSDFSHPSA-N 2 0 362.521 3.661 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000422947905 943346125 /nfs/dbraw/zinc/34/61/25/943346125.db2.gz QUDAJEQPRWYHBH-DLBZAZTESA-N 2 0 355.320 3.634 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000414706659 943348627 /nfs/dbraw/zinc/34/86/27/943348627.db2.gz GUJZMUOEVQBLPE-QUCCMNQESA-N 2 0 370.541 3.667 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Sc1ccc(Br)cc1 ZINC000422953664 943348920 /nfs/dbraw/zinc/34/89/20/943348920.db2.gz FZNYQRPCGOEDOZ-XJKCOSOUSA-N 2 0 357.361 3.907 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422955767 943349580 /nfs/dbraw/zinc/34/95/80/943349580.db2.gz NKEKSRQAZMECQV-UWJYYQICSA-N 2 0 355.551 3.606 20 0 FHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000511604193 943357623 /nfs/dbraw/zinc/35/76/23/943357623.db2.gz DGYBFJPIMZFSCU-GHKJOCBDSA-N 2 0 362.945 3.944 20 0 FHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000511604196 943357777 /nfs/dbraw/zinc/35/77/77/943357777.db2.gz DGYBFJPIMZFSCU-LOPFGIASSA-N 2 0 362.945 3.944 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000435377641 943357804 /nfs/dbraw/zinc/35/78/04/943357804.db2.gz DWDNAAHMNWTXPH-DBVUQKKJSA-N 2 0 352.478 3.540 20 0 FHADRP CC(C)C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000425361629 943359149 /nfs/dbraw/zinc/35/91/49/943359149.db2.gz ZQRCIRPTJNZONX-KRWDZBQOSA-N 2 0 361.530 3.644 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000422998160 943359747 /nfs/dbraw/zinc/35/97/47/943359747.db2.gz CKRBNUPCZSCPJC-OOWPADAASA-N 3 0 355.570 3.797 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423003290 943361557 /nfs/dbraw/zinc/36/15/57/943361557.db2.gz HHFBAHLYJCOTLU-XPWALMASSA-N 3 0 367.537 3.922 20 0 FHADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OCc1cccs1 ZINC000435370851 943364525 /nfs/dbraw/zinc/36/45/25/943364525.db2.gz QXFBSAXSHQPNPR-HNNXBMFYSA-N 2 0 360.523 3.895 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371585 943364700 /nfs/dbraw/zinc/36/47/00/943364700.db2.gz NSCAAHZVWODVSJ-HKUYNNGSSA-N 2 0 352.526 3.784 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014460 943364679 /nfs/dbraw/zinc/36/46/79/943364679.db2.gz PDNZXZMEYKCDLS-FZMZJTMJSA-N 2 0 365.827 3.630 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923795 943365121 /nfs/dbraw/zinc/36/51/21/943365121.db2.gz OADPNQPUSTVZDH-WOJBJXKFSA-N 2 0 373.566 3.940 20 0 FHADRP CCN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423019154 943365826 /nfs/dbraw/zinc/36/58/26/943365826.db2.gz UEUXDSHISCSBED-OQBIIGTOSA-N 2 0 353.913 3.722 20 0 FHADRP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423019110 943365955 /nfs/dbraw/zinc/36/59/55/943365955.db2.gz TZAWAJCFIUOMHA-PSPNYPNSSA-N 2 0 355.320 3.632 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@H](Cc3ccccc3)[C@H](C)[NH3+])c2)CC1 ZINC000423026092 943370135 /nfs/dbraw/zinc/37/01/35/943370135.db2.gz NAZSIGACYREDEP-WMZHIEFXSA-N 2 0 366.553 3.587 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000423042165 943375292 /nfs/dbraw/zinc/37/52/92/943375292.db2.gz KJJXIBHJYQAPCH-JXFKEZNVSA-N 2 0 374.500 3.673 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057187 943376843 /nfs/dbraw/zinc/37/68/43/943376843.db2.gz ZLKZAPZRFXBFMX-KBRIMQKVSA-N 2 0 354.897 3.503 20 0 FHADRP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCO2)cc1 ZINC000423056612 943376943 /nfs/dbraw/zinc/37/69/43/943376943.db2.gz YSKYNDOKMYCALW-VGSGFSFPSA-N 2 0 364.489 3.752 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423056469 943376960 /nfs/dbraw/zinc/37/69/60/943376960.db2.gz FXJHFQIUYQCHSI-XFKAJCMBSA-N 2 0 356.432 3.556 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000423060608 943378240 /nfs/dbraw/zinc/37/82/40/943378240.db2.gz IPAKFSCGFYDRME-JOQOYGCGSA-N 2 0 354.897 3.633 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000435395003 943381328 /nfs/dbraw/zinc/38/13/28/943381328.db2.gz NJNHOODEJFPPNW-INIZCTEOSA-N 2 0 370.541 3.873 20 0 FHADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000423049578 943383745 /nfs/dbraw/zinc/38/37/45/943383745.db2.gz KGUIJDUFKNLBGU-FCGDIQPGSA-N 2 0 369.475 3.818 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423051462 943383846 /nfs/dbraw/zinc/38/38/46/943383846.db2.gz NJWHZWXYEOGROO-DQLDELGASA-N 2 0 353.510 3.883 20 0 FHADRP Fc1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Br ZINC000423094105 943392071 /nfs/dbraw/zinc/39/20/71/943392071.db2.gz JJMOPAHROSDIOV-KWIKQGISSA-N 2 0 353.279 3.707 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000423102065 943394509 /nfs/dbraw/zinc/39/45/09/943394509.db2.gz JORVIZHRZGSBPS-ROUUACIJSA-N 2 0 374.447 3.517 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423115166 943396041 /nfs/dbraw/zinc/39/60/41/943396041.db2.gz XLPFPTAMGZBVOW-ZGXWSNOMSA-N 2 0 350.934 3.826 20 0 FHADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119855 943397237 /nfs/dbraw/zinc/39/72/37/943397237.db2.gz FPKWMNJHQCLXPE-JMUQELJHSA-N 2 0 366.505 3.827 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)[NH+](C)C)cc1 ZINC000423122934 943397865 /nfs/dbraw/zinc/39/78/65/943397865.db2.gz KHESCGUJYXNGEA-FKBYEOEOSA-N 2 0 353.510 3.811 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000423123868 943398551 /nfs/dbraw/zinc/39/85/51/943398551.db2.gz NPSGIVSEIZCIEC-BBRMVZONSA-N 2 0 351.416 3.921 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(F)c3ccccc32)CC[NH2+]CC1 ZINC000423130892 943400575 /nfs/dbraw/zinc/40/05/75/943400575.db2.gz SLYLPMRQWGCBCK-CVEARBPZSA-N 2 0 372.484 3.951 20 0 FHADRP C[C@H](Cc1ccccc1)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421147 943401896 /nfs/dbraw/zinc/40/18/96/943401896.db2.gz IAAANJPFEUKBJX-MJGOQNOKSA-N 2 0 355.551 3.966 20 0 FHADRP Cc1ncsc1CN(Cc1cc2cc(F)ccc2o1)C[C@H]1CC[NH2+]C1 ZINC000435422725 943402915 /nfs/dbraw/zinc/40/29/15/943402915.db2.gz PPCDJRXEXGLRKY-AWEZNQCLSA-N 2 0 359.470 3.949 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000423107859 943403563 /nfs/dbraw/zinc/40/35/63/943403563.db2.gz FMYNYNUFNMUQPU-PGRDOPGGSA-N 2 0 366.553 3.800 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc2O1 ZINC000423153423 943410887 /nfs/dbraw/zinc/41/08/87/943410887.db2.gz GMCHDTCDPQCLBY-HCBXPFHNSA-N 2 0 350.462 3.744 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000423132798 943413732 /nfs/dbraw/zinc/41/37/32/943413732.db2.gz UWKOICLUKSRARL-OPAMFIHVSA-N 2 0 370.541 3.589 20 0 FHADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164788 943423196 /nfs/dbraw/zinc/42/31/96/943423196.db2.gz AGMXXIMBDTXOKI-PIPMEXSNSA-N 2 0 351.494 3.638 20 0 FHADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171439 943425200 /nfs/dbraw/zinc/42/52/00/943425200.db2.gz OMLBOFOVFKFBPB-WVBUVRCRSA-N 2 0 352.478 3.910 20 0 FHADRP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000423175121 943427299 /nfs/dbraw/zinc/42/72/99/943427299.db2.gz DBLKJGSEEBXWJQ-SNVBAGLBSA-N 2 0 354.317 3.880 20 0 FHADRP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000515005843 943446135 /nfs/dbraw/zinc/44/61/35/943446135.db2.gz KXFJFDDILLDBOP-GUYCJALGSA-N 2 0 360.889 3.915 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423219095 943447401 /nfs/dbraw/zinc/44/74/01/943447401.db2.gz WCBQYFWKIMACIK-WMLDXEAASA-N 2 0 357.523 3.785 20 0 FHADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417220876 943447753 /nfs/dbraw/zinc/44/77/53/943447753.db2.gz OGUCZNFZNUTNMY-UHFFFAOYSA-N 2 0 374.573 3.577 20 0 FHADRP [NH3+]C1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000423223830 943450553 /nfs/dbraw/zinc/45/05/53/943450553.db2.gz AUUGULCXLVRNJH-DAWZGUTISA-N 2 0 367.331 3.776 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423232026 943453459 /nfs/dbraw/zinc/45/34/59/943453459.db2.gz BSZBKHIVCIVXFR-XPNTWCBSSA-N 2 0 365.521 3.655 20 0 FHADRP Brc1cccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CCOCC2)c1 ZINC000423241617 943456030 /nfs/dbraw/zinc/45/60/30/943456030.db2.gz DLHALTTUMPGMPV-KSSFIOAISA-N 2 0 367.331 3.506 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246875 943458552 /nfs/dbraw/zinc/45/85/52/943458552.db2.gz KLATZESMBSFEOD-WQGACYEGSA-N 2 0 355.345 3.821 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000423292963 943467368 /nfs/dbraw/zinc/46/73/68/943467368.db2.gz PDMIYOXVKQLGQP-HOTGVXAUSA-N 2 0 358.482 3.591 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1=CC[NH2+]CC1 ZINC000423345155 943478622 /nfs/dbraw/zinc/47/86/22/943478622.db2.gz FSNSAYHJJLTNQA-QGZVFWFLSA-N 2 0 360.299 3.817 20 0 FHADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423345928 943478662 /nfs/dbraw/zinc/47/86/62/943478662.db2.gz OPQWZFARGDKFOD-JTQLQIEISA-N 2 0 374.120 3.782 20 0 FHADRP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CC2=CC[NH2+]CC2)nc1 ZINC000423354361 943488238 /nfs/dbraw/zinc/48/82/38/943488238.db2.gz NKECBTBYGRVRBL-QFIPXVFZSA-N 2 0 369.940 3.961 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(F)cc2)CC1 ZINC000423354872 943489056 /nfs/dbraw/zinc/48/90/56/943489056.db2.gz ODLGWAWWNQYSGA-JOCHJYFZSA-N 3 0 359.533 3.888 20 0 FHADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423355837 943489089 /nfs/dbraw/zinc/48/90/89/943489089.db2.gz PRWMYQKIHYBTKH-URZJWIJPSA-N 2 0 350.510 3.541 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC000423383820 943497271 /nfs/dbraw/zinc/49/72/71/943497271.db2.gz PQDBOMXYSCSSFO-WVBUVRCRSA-N 2 0 354.494 3.718 20 0 FHADRP COCC1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC[NH2+]CC1 ZINC000423395645 943500615 /nfs/dbraw/zinc/50/06/15/943500615.db2.gz ALWUYRZSDLPRJO-WMZOPIPTSA-N 2 0 370.459 3.947 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417318412 943504325 /nfs/dbraw/zinc/50/43/25/943504325.db2.gz YVWXFXRHZWHZIC-OFOKGCAXSA-N 2 0 370.562 3.713 20 0 FHADRP COCC1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[NH2+]CC1 ZINC000423402300 943507642 /nfs/dbraw/zinc/50/76/42/943507642.db2.gz GZPIRHIOSWXOEA-KRWDZBQOSA-N 2 0 356.432 3.762 20 0 FHADRP COCC1(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC[NH2+]CC1 ZINC000423405494 943508020 /nfs/dbraw/zinc/50/80/20/943508020.db2.gz JKKLEFTZPSONTB-KRWDZBQOSA-N 2 0 367.331 3.506 20 0 FHADRP COCC1(C[NH2+][C@H](C)CCCOc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000423413483 943510426 /nfs/dbraw/zinc/51/04/26/943510426.db2.gz ZDDGDDWXDOXGEY-QGZVFWFLSA-N 2 0 368.949 3.802 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2NCCc3ccccc32)CC1 ZINC000423437323 943519365 /nfs/dbraw/zinc/51/93/65/943519365.db2.gz UIKFJWMVYZCXRV-UBVWURDFSA-N 2 0 363.549 3.906 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423467469 943523826 /nfs/dbraw/zinc/52/38/26/943523826.db2.gz XNIILOTZHPNKTN-IAGOWNOFSA-N 2 0 352.482 3.691 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423471595 943525145 /nfs/dbraw/zinc/52/51/45/943525145.db2.gz MOQVJVIKQWHXDY-ISARSNTHSA-N 2 0 364.505 3.942 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C3)cc1 ZINC000423507430 943531800 /nfs/dbraw/zinc/53/18/00/943531800.db2.gz IOZUJEGEFUMTMH-OSFFKXSWSA-N 2 0 361.533 3.527 20 0 FHADRP CCc1ccccc1[C@H](N)C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423509646 943532395 /nfs/dbraw/zinc/53/23/95/943532395.db2.gz RRYUQEKAIDVLFB-HXUWFJFHSA-N 2 0 359.464 3.786 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417345505 943532629 /nfs/dbraw/zinc/53/26/29/943532629.db2.gz SBNONAKCIFKJFB-JOCLIGHLSA-N 2 0 356.535 3.597 20 0 FHADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423490981 943535730 /nfs/dbraw/zinc/53/57/30/943535730.db2.gz YGWCLCLGYHJGFR-WMZOPIPTSA-N 2 0 364.555 3.586 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423494472 943537016 /nfs/dbraw/zinc/53/70/16/943537016.db2.gz SDJWTWCRUGVGPY-LZNRXBQRSA-N 2 0 354.494 3.705 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423494073 943537087 /nfs/dbraw/zinc/53/70/87/943537087.db2.gz CTEZVHUEFVTQSB-KTSGXFQWSA-N 2 0 355.345 3.949 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528683 943537495 /nfs/dbraw/zinc/53/74/95/943537495.db2.gz NPQUILUWZHTGTR-RBDMOPTHSA-N 2 0 365.521 3.872 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1nccc2ccccc21 ZINC000423528452 943538527 /nfs/dbraw/zinc/53/85/27/943538527.db2.gz OFSUIOWLOXDRPF-IBGZPJMESA-N 2 0 374.532 3.879 20 0 FHADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423529905 943538543 /nfs/dbraw/zinc/53/85/43/943538543.db2.gz QMLJJYCCVAHONT-RAPHYUROSA-N 2 0 362.558 3.632 20 0 FHADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(-n2ccnc2)cc1 ZINC000423533002 943540146 /nfs/dbraw/zinc/54/01/46/943540146.db2.gz WGVRUTNNRYBQIJ-CDYZOSCDSA-N 2 0 350.510 3.677 20 0 FHADRP COc1ccccc1[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423510635 943540711 /nfs/dbraw/zinc/54/07/11/943540711.db2.gz MVAOAASIWPEGHQ-XPJNUEMQSA-N 2 0 371.569 3.733 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519538 943543983 /nfs/dbraw/zinc/54/39/83/943543983.db2.gz PXUPJMNEHPBMDT-AJTFCVKESA-N 2 0 371.569 3.830 20 0 FHADRP Fc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CCCC2)cc1 ZINC000423522279 943545452 /nfs/dbraw/zinc/54/54/52/943545452.db2.gz ULQYPPZOCGUEGQ-HRTMPFAESA-N 2 0 359.533 3.863 20 0 FHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000423526673 943547156 /nfs/dbraw/zinc/54/71/56/943547156.db2.gz ZVXILLRNSIUVPK-NEWJYFPISA-N 3 0 363.549 3.967 20 0 FHADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1-c1cccc(Cl)c1 ZINC000423538103 943551145 /nfs/dbraw/zinc/55/11/45/943551145.db2.gz FHNDZMJTAUVDQV-KMANFZQXSA-N 2 0 358.917 3.873 20 0 FHADRP Brc1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)s1 ZINC000423555620 943556772 /nfs/dbraw/zinc/55/67/72/943556772.db2.gz YEWKLYBBPFSEGS-BCUIYNNISA-N 2 0 355.345 3.939 20 0 FHADRP NC1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000423578009 943561218 /nfs/dbraw/zinc/56/12/18/943561218.db2.gz TYJCISDRZRUSRG-XZOQPEGZSA-N 2 0 363.549 3.906 20 0 FHADRP CC(=O)Nc1cccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435696044 943561365 /nfs/dbraw/zinc/56/13/65/943561365.db2.gz SYYYMCAKOJCAON-FQEVSTJZSA-N 2 0 369.534 3.851 20 0 FHADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000423575901 943561396 /nfs/dbraw/zinc/56/13/96/943561396.db2.gz QPTBUUCXUHWQTA-NRFANRHFSA-N 2 0 367.537 3.729 20 0 FHADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578361 943562067 /nfs/dbraw/zinc/56/20/67/943562067.db2.gz UJIITWODHYASRH-QHCPKHFHSA-N 2 0 365.565 3.837 20 0 FHADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)CC[NH2+]1 ZINC000414752103 943566320 /nfs/dbraw/zinc/56/63/20/943566320.db2.gz JYXFCCKREHDDMA-BASYENTBSA-N 2 0 367.331 3.599 20 0 FHADRP COc1cccc(CCC[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435736227 943589272 /nfs/dbraw/zinc/58/92/72/943589272.db2.gz VFQJZFLZXCTZLJ-GOSISDBHSA-N 2 0 359.539 3.504 20 0 FHADRP COc1ccc(C[N@H+](CCc2ccccn2)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414756051 943593978 /nfs/dbraw/zinc/59/39/78/943593978.db2.gz QBIINMPUWBKEQH-QUCCMNQESA-N 2 0 353.510 3.523 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423751174 943608947 /nfs/dbraw/zinc/60/89/47/943608947.db2.gz YJQFAQPWPYYXCE-NRFANRHFSA-N 2 0 367.537 3.823 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000423752835 943608955 /nfs/dbraw/zinc/60/89/55/943608955.db2.gz WSVCKSKYIRLOPE-HNNXBMFYSA-N 2 0 359.901 3.564 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000423842861 943627692 /nfs/dbraw/zinc/62/76/92/943627692.db2.gz KJKXOLVPEMMOTQ-LJQANCHMSA-N 2 0 357.542 3.679 20 0 FHADRP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414773974 943729667 /nfs/dbraw/zinc/72/96/67/943729667.db2.gz FAOCPYWZMOYLMY-CVEARBPZSA-N 2 0 352.906 3.569 20 0 FHADRP CCN1CC[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549475065 943742407 /nfs/dbraw/zinc/74/24/07/943742407.db2.gz CEINWNYWAPYGCX-ZAAXVRCTSA-N 2 0 369.475 3.703 20 0 FHADRP CC1CC[NH+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424128535 943746163 /nfs/dbraw/zinc/74/61/63/943746163.db2.gz FPSQIBOOOCXCPS-FQEVSTJZSA-N 2 0 351.579 3.693 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424130202 943757663 /nfs/dbraw/zinc/75/76/63/943757663.db2.gz HCDGFBSCBKFUCY-AZUAARDMSA-N 2 0 351.579 3.693 20 0 FHADRP [NH3+][C@H](CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)CC1CCCCC1 ZINC000424165143 943771001 /nfs/dbraw/zinc/77/10/01/943771001.db2.gz DNSHZHHMFIWULS-HXUWFJFHSA-N 2 0 363.590 3.835 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000312555245 943789998 /nfs/dbraw/zinc/78/99/98/943789998.db2.gz XROKWBXKIUQTKH-WMZHIEFXSA-N 2 0 365.521 3.906 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660257426 943795781 /nfs/dbraw/zinc/79/57/81/943795781.db2.gz SUAIWSNOQDUFOW-FTRWYGJKSA-N 2 0 373.566 3.732 20 0 FHADRP Fc1ccc(/C=C\C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1F ZINC000516894223 943810030 /nfs/dbraw/zinc/81/00/30/943810030.db2.gz UMQKDBOMXDYYGI-RQOWECAXSA-N 2 0 364.480 3.802 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424286579 943819263 /nfs/dbraw/zinc/81/92/63/943819263.db2.gz HGXINFUDXHQYQN-CYBMUJFWSA-N 2 0 370.324 3.786 20 0 FHADRP CCC1(C[NH2+]C2CC(CC(=O)OC)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000424298425 943826438 /nfs/dbraw/zinc/82/64/38/943826438.db2.gz IUAGGDOCMRMHDX-UHFFFAOYSA-N 2 0 358.526 3.610 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000424271746 943828692 /nfs/dbraw/zinc/82/86/92/943828692.db2.gz SHBTVYFOWHSXAO-DLRWMDTOSA-N 2 0 360.542 3.700 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH2+][C@H](C)c1ccccc1 ZINC000417700325 943838227 /nfs/dbraw/zinc/83/82/27/943838227.db2.gz IKIFEQLJLDPQKG-QZTJIDSGSA-N 2 0 374.573 3.665 20 0 FHADRP c1csc([C@@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000424320999 943844102 /nfs/dbraw/zinc/84/41/02/943844102.db2.gz UCLPLSGIMIIOJA-UYAOXDASSA-N 2 0 371.550 3.517 20 0 FHADRP C[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000414782362 943844971 /nfs/dbraw/zinc/84/49/71/943844971.db2.gz XKIGXXOKPJWBTA-VHSSKADRSA-N 2 0 356.432 3.637 20 0 FHADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC(F)F ZINC000414782764 943845675 /nfs/dbraw/zinc/84/56/75/943845675.db2.gz OUHOEWRCMUYSOU-HUUCEWRRSA-N 2 0 354.441 3.508 20 0 FHADRP [NH3+]C[C@H](C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1 ZINC000424303678 943851437 /nfs/dbraw/zinc/85/14/37/943851437.db2.gz OPLOLQJSRCLDRH-QGZVFWFLSA-N 2 0 352.457 3.624 20 0 FHADRP O=C(CC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)Nc1cccnc1 ZINC000515415929 943861790 /nfs/dbraw/zinc/86/17/90/943861790.db2.gz YJNBJIYPTRUELA-UHFFFAOYSA-N 2 0 366.509 3.576 20 0 FHADRP Cc1ccncc1CCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000516962706 943868069 /nfs/dbraw/zinc/86/80/69/943868069.db2.gz DWENKFTYTTYGJV-BGYRXZFFSA-N 2 0 359.558 3.534 20 0 FHADRP c1sc(COc2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785239 943875919 /nfs/dbraw/zinc/87/59/19/943875919.db2.gz SFBLQKDDQWATTI-IRXDYDNUSA-N 2 0 357.523 3.544 20 0 FHADRP Cc1nc(COc2ccc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2)cs1 ZINC000424378805 943888111 /nfs/dbraw/zinc/88/81/11/943888111.db2.gz NWXXPQXYCIAPSZ-INIZCTEOSA-N 2 0 371.550 3.995 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1OCc1ccccn1)CC[NH2+]CC2 ZINC000424381983 943890286 /nfs/dbraw/zinc/89/02/86/943890286.db2.gz RRLLALVAEHGRNY-GOSISDBHSA-N 2 0 351.494 3.625 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000417829502 943892509 /nfs/dbraw/zinc/89/25/09/943892509.db2.gz RDNOBKCGHVPLIX-OAQYLSRUSA-N 2 0 372.557 3.516 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424388567 943895672 /nfs/dbraw/zinc/89/56/72/943895672.db2.gz ZCQIRNYFILGVTJ-SFHVURJKSA-N 2 0 366.553 3.821 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417842554 943899174 /nfs/dbraw/zinc/89/91/74/943899174.db2.gz MUKNUHSMWSCXQN-OAQYLSRUSA-N 2 0 374.573 3.524 20 0 FHADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414786379 943907706 /nfs/dbraw/zinc/90/77/06/943907706.db2.gz AXFNHSTZBVFCKU-YGRLFVJLSA-N 2 0 365.827 3.649 20 0 FHADRP Cc1ccc(-c2ncc(C[NH2+]CCCNCc3cccnc3)s2)cc1 ZINC000414876160 943913468 /nfs/dbraw/zinc/91/34/68/943913468.db2.gz KEUSWTMOUNAAFK-UHFFFAOYSA-N 2 0 352.507 3.783 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424442255 943916873 /nfs/dbraw/zinc/91/68/73/943916873.db2.gz XUOZKZFPJQCORC-UHFFFAOYSA-N 2 0 366.509 3.582 20 0 FHADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794933 943971644 /nfs/dbraw/zinc/97/16/44/943971644.db2.gz GGZXRWIENQELSE-CABCVRRESA-N 2 0 360.420 3.634 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511643758 943980116 /nfs/dbraw/zinc/98/01/16/943980116.db2.gz FDRMCFTZBMMMEV-QRVBRYPASA-N 2 0 357.542 3.915 20 0 FHADRP CCCCc1oc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414798996 943980487 /nfs/dbraw/zinc/98/04/87/943980487.db2.gz ZWAPEWKTMSEBRW-KRWDZBQOSA-N 2 0 356.510 3.963 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417963344 944008637 /nfs/dbraw/zinc/00/86/37/944008637.db2.gz PFBLGBBZCXEICQ-GMAHTHKFSA-N 2 0 350.506 3.537 20 0 FHADRP CC(C)(C)OC(=O)c1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000500068575 944052204 /nfs/dbraw/zinc/05/22/04/944052204.db2.gz MLOWUSZYKSHFIG-IBGZPJMESA-N 2 0 358.526 3.950 20 0 FHADRP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000517162218 944052713 /nfs/dbraw/zinc/05/27/13/944052713.db2.gz ZNARHWUTYHKWJP-TZYHBYERSA-N 2 0 373.585 3.931 20 0 FHADRP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCC[NH3+])cc1 ZINC000414912386 944055440 /nfs/dbraw/zinc/05/54/40/944055440.db2.gz UKEUDGTVBHGAIR-UHFFFAOYSA-N 2 0 352.457 3.815 20 0 FHADRP [NH3+]CCC1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000517158330 944061737 /nfs/dbraw/zinc/06/17/37/944061737.db2.gz BFKKTNHHMJNOJB-FQEVSTJZSA-N 2 0 362.477 3.887 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000505133174 944063113 /nfs/dbraw/zinc/06/31/13/944063113.db2.gz DOZHODZFCLMOPK-IAGOWNOFSA-N 2 0 373.463 3.591 20 0 FHADRP CCOc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1OC(F)F ZINC000414808548 944071092 /nfs/dbraw/zinc/07/10/92/944071092.db2.gz KYVJHKYKMFQWMW-ZDUSSCGKSA-N 2 0 350.409 3.996 20 0 FHADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000500121075 944136095 /nfs/dbraw/zinc/13/60/95/944136095.db2.gz ZCXJTUVEEXHDKJ-JOCHJYFZSA-N 2 0 363.565 3.741 20 0 FHADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000425912472 944143598 /nfs/dbraw/zinc/14/35/98/944143598.db2.gz DEDXOLVJWDYURY-OAQYLSRUSA-N 2 0 350.506 3.938 20 0 FHADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436281441 944159796 /nfs/dbraw/zinc/15/97/96/944159796.db2.gz DSOKZEFRVCWCOC-HNNXBMFYSA-N 2 0 352.828 3.805 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000436291894 944178956 /nfs/dbraw/zinc/17/89/56/944178956.db2.gz AUNCTZMDIHGIPU-VIYGXFRKSA-N 2 0 356.510 3.503 20 0 FHADRP CCCn1ccnc1CCC[N@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000191479408 944184125 /nfs/dbraw/zinc/18/41/25/944184125.db2.gz JWEXAVLBTGXOMQ-QGZVFWFLSA-N 2 0 369.431 3.910 20 0 FHADRP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515757580 944185329 /nfs/dbraw/zinc/18/53/29/944185329.db2.gz IMCROWZBDPVRMG-CEXWTWQISA-N 2 0 373.585 3.947 20 0 FHADRP c1ccc(C[NH+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167975091 944269466 /nfs/dbraw/zinc/26/94/66/944269466.db2.gz GUVUVPUNCDOCPF-GLCCWIKHSA-N 2 0 353.554 3.646 20 0 FHADRP CC(=O)N(c1nc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cs1)c1ccc(C)cc1 ZINC000414976398 944275538 /nfs/dbraw/zinc/27/55/38/944275538.db2.gz PUPRGKROYGWXPK-KRWDZBQOSA-N 2 0 372.538 3.758 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436400767 944277101 /nfs/dbraw/zinc/27/71/01/944277101.db2.gz LOBSQLBUNXLIAF-TUACAJSNSA-N 2 0 364.533 3.754 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000414921615 944316728 /nfs/dbraw/zinc/31/67/28/944316728.db2.gz DYBHPOARUJLFFG-JOCHJYFZSA-N 2 0 364.537 3.578 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000550165950 944320395 /nfs/dbraw/zinc/32/03/95/944320395.db2.gz AHVOITRYYMHYNZ-SFHVURJKSA-N 2 0 361.530 3.610 20 0 FHADRP c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027217168 944327970 /nfs/dbraw/zinc/32/79/70/944327970.db2.gz QQLGGNHUJTXORK-UHFFFAOYSA-N 2 0 363.505 3.975 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000439089634 944329035 /nfs/dbraw/zinc/32/90/35/944329035.db2.gz SJEZPJRUJLVNEI-HNNXBMFYSA-N 2 0 355.482 3.566 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438094166 944331906 /nfs/dbraw/zinc/33/19/06/944331906.db2.gz JUTLZBDHTRVMKM-DNQXCXABSA-N 2 0 369.597 3.987 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426285653 944356939 /nfs/dbraw/zinc/35/69/39/944356939.db2.gz CIFCJCAMKWEUSV-SESVDKBCSA-N 2 0 367.512 3.905 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3c(F)cccc3F)CC2)c1 ZINC000517541189 944371612 /nfs/dbraw/zinc/37/16/12/944371612.db2.gz XEYHBPCWMBHFRD-UHFFFAOYSA-N 2 0 373.491 3.965 20 0 FHADRP CC1(C)C[N@H+](CCn2cccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838486 944396618 /nfs/dbraw/zinc/39/66/18/944396618.db2.gz RYPMDFCZQCCUHR-NRFANRHFSA-N 2 0 352.526 3.506 20 0 FHADRP [NH3+]C1(Cc2ccccc2F)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167978617 944443674 /nfs/dbraw/zinc/44/36/74/944443674.db2.gz PWJSTHVGSPOINF-WCRBZPEASA-N 2 0 371.544 3.567 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CCC2)CC[N@@H+]1C ZINC000426325464 944446836 /nfs/dbraw/zinc/44/68/36/944446836.db2.gz VBTFDHCTVZCTOD-HUUCEWRRSA-N 2 0 351.332 3.943 20 0 FHADRP [NH3+]Cc1cccc(Br)c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981826 944490477 /nfs/dbraw/zinc/49/04/77/944490477.db2.gz LXVCQYFPHZNMRH-MQVJKMGUSA-N 2 0 364.331 3.725 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@@]1(O)CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000438332473 944502590 /nfs/dbraw/zinc/50/25/90/944502590.db2.gz RADZPMMXOXNPOY-HSZRJFAPSA-N 2 0 373.585 3.638 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694501 944553687 /nfs/dbraw/zinc/55/36/87/944553687.db2.gz JTPZGUIUDIFJFY-UCNVEGJOSA-N 2 0 361.493 3.611 20 0 FHADRP Cc1cccc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)c2cccc(F)c2)c1 ZINC000516195667 944568433 /nfs/dbraw/zinc/56/84/33/944568433.db2.gz GDEGFUICEKEPSA-HSZRJFAPSA-N 2 0 369.528 3.841 20 0 FHADRP CSC1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC[NH+](C)CC1 ZINC000516217691 944580764 /nfs/dbraw/zinc/58/07/64/944580764.db2.gz QBXMTBKZGPTDPQ-UHFFFAOYSA-N 2 0 350.425 3.762 20 0 FHADRP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cs1 ZINC000550262672 944621577 /nfs/dbraw/zinc/62/15/77/944621577.db2.gz NKEYBQBXJDSZDL-HXUWFJFHSA-N 2 0 356.535 3.767 20 0 FHADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073057 944644136 /nfs/dbraw/zinc/64/41/36/944644136.db2.gz OELIRJFYODUEHH-LEWJYISDSA-N 2 0 360.542 3.845 20 0 FHADRP Cc1ccc2cc([C@H](C)[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)oc2c1 ZINC000426025753 944665138 /nfs/dbraw/zinc/66/51/38/944665138.db2.gz WRFHWZSLOCRHSY-INIZCTEOSA-N 2 0 353.466 3.927 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000414999468 944686231 /nfs/dbraw/zinc/68/62/31/944686231.db2.gz JCFWCLVFFJRUSN-CABCVRRESA-N 2 0 353.913 3.551 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000418490925 944705133 /nfs/dbraw/zinc/70/51/33/944705133.db2.gz QTPBWMQBPGJWRO-NRFANRHFSA-N 2 0 370.541 3.600 20 0 FHADRP Cc1nc(COc2ccc(C[NH+]3CCC(C[NH+](C)C)CC3)cc2)cs1 ZINC000506886757 944705499 /nfs/dbraw/zinc/70/54/99/944705499.db2.gz XXNJYNJQOJGJOB-UHFFFAOYSA-N 2 0 359.539 3.804 20 0 FHADRP CCCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000516314585 944716998 /nfs/dbraw/zinc/71/69/98/944716998.db2.gz AIPKCLWBFWUGDM-UEXGIBASSA-N 2 0 372.557 3.644 20 0 FHADRP CCCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000516314583 944717285 /nfs/dbraw/zinc/71/72/85/944717285.db2.gz AIPKCLWBFWUGDM-LQWHRVPQSA-N 2 0 372.557 3.644 20 0 FHADRP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(OC2CCCC2)c1 ZINC000506915320 944742554 /nfs/dbraw/zinc/74/25/54/944742554.db2.gz VSJTUPHMKJGMNY-UHFFFAOYSA-N 2 0 358.526 3.552 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000517865816 944762410 /nfs/dbraw/zinc/76/24/10/944762410.db2.gz POBQSHYWWVPUDX-FPOVZHCZSA-N 2 0 359.558 3.698 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000506927045 944764975 /nfs/dbraw/zinc/76/49/75/944764975.db2.gz MFIQZYRCRINUNJ-UHFFFAOYSA-N 2 0 366.571 3.980 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564178 944766757 /nfs/dbraw/zinc/76/67/57/944766757.db2.gz YTQFQMMRDHYURV-JOCHJYFZSA-N 2 0 371.569 3.612 20 0 FHADRP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000473061771 944785933 /nfs/dbraw/zinc/78/59/33/944785933.db2.gz ZKOMBKLGIUZHQE-WIYYLYMNSA-N 2 0 365.993 3.913 20 0 FHADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCOc3ccccc3)CC2)C[C@@H](C)O1 ZINC000426775176 944792319 /nfs/dbraw/zinc/79/23/19/944792319.db2.gz RPIPBHHVGZZOPB-WOJBJXKFSA-N 2 0 360.542 3.667 20 0 FHADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)s1 ZINC000366697954 944793031 /nfs/dbraw/zinc/79/30/31/944793031.db2.gz RCLJMJNHXXIQIO-QKYXUNIQSA-N 2 0 373.566 3.984 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438576228 944794122 /nfs/dbraw/zinc/79/41/22/944794122.db2.gz LYEFSFZLBVGSLL-OAQYLSRUSA-N 2 0 357.542 3.550 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195215931 944830865 /nfs/dbraw/zinc/83/08/65/944830865.db2.gz JKWUWVGIGXTKBE-NQIIRXRSSA-N 2 0 367.578 3.591 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000500416873 944840535 /nfs/dbraw/zinc/84/05/35/944840535.db2.gz PTJQIGPBZUZAAY-KRWDZBQOSA-N 2 0 351.485 3.744 20 0 FHADRP CCCCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000426460002 944869342 /nfs/dbraw/zinc/86/93/42/944869342.db2.gz MRJIFSIJDVUOIO-UHFFFAOYSA-N 2 0 363.590 3.799 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450343 944875041 /nfs/dbraw/zinc/87/50/41/944875041.db2.gz DDHQTMFFAIBOKJ-AMHTUMDSSA-N 2 0 374.488 3.779 20 0 FHADRP Cc1ccc(C[NH+]2CCC3(CC[N@H+](CCCC(F)(F)F)C3)CC2)c(N)n1 ZINC001279135348 944908960 /nfs/dbraw/zinc/90/89/60/944908960.db2.gz KNWFLSOYHPGDLL-UHFFFAOYSA-N 2 0 370.463 3.603 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)cc1 ZINC000511695078 944910203 /nfs/dbraw/zinc/91/02/03/944910203.db2.gz GKKCTABHRKVBJB-OALUTQOASA-N 2 0 359.558 3.769 20 0 FHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000293798827 944910750 /nfs/dbraw/zinc/91/07/50/944910750.db2.gz UWSGDQDSCBAWRP-OAHLLOKOSA-N 2 0 374.497 3.600 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2c1 ZINC000415004361 944935995 /nfs/dbraw/zinc/93/59/95/944935995.db2.gz HRLMZLPGTXUJGB-RBBKRZOGSA-N 2 0 364.537 3.703 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)cc2)c1 ZINC000414944590 944964186 /nfs/dbraw/zinc/96/41/86/944964186.db2.gz QFUNMXOPHPWZDO-QVKFZJNVSA-N 2 0 356.466 3.584 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000506341828 944979115 /nfs/dbraw/zinc/97/91/15/944979115.db2.gz LQUXTEGIGNTSDD-UHFFFAOYSA-N 2 0 372.601 3.523 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000414946422 944999851 /nfs/dbraw/zinc/99/98/51/944999851.db2.gz TZKASYLNPWYJGR-KXBFYZLASA-N 2 0 350.466 3.528 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C)o1 ZINC000414946416 945000119 /nfs/dbraw/zinc/00/01/19/945000119.db2.gz TZKASYLNPWYJGR-BEFAXECRSA-N 2 0 350.466 3.528 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415004981 945006328 /nfs/dbraw/zinc/00/63/28/945006328.db2.gz OMSQXMPEMNNFBZ-LGKPFJOYSA-N 2 0 367.512 3.602 20 0 FHADRP CCC1(C[NH2+]C[C@@](C)(O)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000516563236 945013643 /nfs/dbraw/zinc/01/36/43/945013643.db2.gz ABMYINBWPRQMTI-QGZVFWFLSA-N 2 0 358.448 3.582 20 0 FHADRP c1ccc(CCCO[C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000518989701 945018693 /nfs/dbraw/zinc/01/86/93/945018693.db2.gz ZRIBHQWWFHWWDT-HSZRJFAPSA-N 2 0 350.506 3.556 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2)n1 ZINC001167965324 945027384 /nfs/dbraw/zinc/02/73/84/945027384.db2.gz BAKDBMZBTPQZRY-BRTIRZTQSA-N 2 0 364.537 3.984 20 0 FHADRP CN(CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001167965376 945037567 /nfs/dbraw/zinc/03/75/67/945037567.db2.gz DCBWXLDBMMUOSC-YQQQUEKLSA-N 2 0 365.562 3.629 20 0 FHADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440280474 945372957 /nfs/dbraw/zinc/37/29/57/945372957.db2.gz IQRRJAKXKJZCHV-SYYKKAFVSA-N 2 0 369.553 3.563 20 0 FHADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440280477 945373224 /nfs/dbraw/zinc/37/32/24/945373224.db2.gz IQRRJAKXKJZCHV-UZKOGDIHSA-N 2 0 369.553 3.563 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2F)cc1 ZINC000519410545 945387092 /nfs/dbraw/zinc/38/70/92/945387092.db2.gz TXWOMDGSQYWFMF-UHFFFAOYSA-N 2 0 360.473 3.975 20 0 FHADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000519453840 945424598 /nfs/dbraw/zinc/42/45/98/945424598.db2.gz OZNTUPVVYUBKHN-GOSISDBHSA-N 2 0 374.573 3.591 20 0 FHADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000280960118 945479680 /nfs/dbraw/zinc/47/96/80/945479680.db2.gz USDDARRQGNIEGU-CCKFTAQKSA-N 2 0 370.459 3.604 20 0 FHADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000415013903 945500310 /nfs/dbraw/zinc/50/03/10/945500310.db2.gz YXOOLQJZWIISDN-XLIONFOSSA-N 2 0 352.526 3.832 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000660835568 945526631 /nfs/dbraw/zinc/52/66/31/945526631.db2.gz VOOWAHAGTIDDJE-NRFANRHFSA-N 2 0 355.570 3.599 20 0 FHADRP C[C@H]1CC([NH+]2CCC3(CCCC(=O)N3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168048650 945562530 /nfs/dbraw/zinc/56/25/30/945562530.db2.gz XGZMHNMETQLOOG-OALUTQOASA-N 2 0 369.553 3.563 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000519656548 945604589 /nfs/dbraw/zinc/60/45/89/945604589.db2.gz SEZHHINOQGXBIG-IBGZPJMESA-N 2 0 366.933 3.719 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000651674053 945606151 /nfs/dbraw/zinc/60/61/51/945606151.db2.gz AJXILQWOFPZXDR-CVDCTZTESA-N 2 0 366.553 3.671 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc(C)c1OC(F)F ZINC000415120867 945686554 /nfs/dbraw/zinc/68/65/54/945686554.db2.gz HJHDWMRIYVWJAA-QZTJIDSGSA-N 2 0 368.468 3.623 20 0 FHADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519817116 945783208 /nfs/dbraw/zinc/78/32/08/945783208.db2.gz BEVDGIURNVYNDM-LJQANCHMSA-N 2 0 369.484 3.574 20 0 FHADRP CCc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[NH+](C)C)cc1 ZINC000110919228 945783951 /nfs/dbraw/zinc/78/39/51/945783951.db2.gz XIPNFUACOXBLHG-YADHBBJMSA-N 2 0 367.537 3.661 20 0 FHADRP CCC[C@@](C)([NH3+])C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757888 945892390 /nfs/dbraw/zinc/89/23/90/945892390.db2.gz MJMYVUAQJIZENZ-NFBKMPQASA-N 2 0 371.569 3.653 20 0 FHADRP CC(C)[NH2+]CCC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662759538 945892797 /nfs/dbraw/zinc/89/27/97/945892797.db2.gz SNAAQBPFFXLEBE-QFIPXVFZSA-N 2 0 371.569 3.524 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OCC ZINC000301700509 945922598 /nfs/dbraw/zinc/92/25/98/945922598.db2.gz FLBHWXAFKCYAEN-VQIMIIECSA-N 2 0 369.509 3.953 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000188063977 945931029 /nfs/dbraw/zinc/93/10/29/945931029.db2.gz YVZOACTUZCBABY-QRWLVFNGSA-N 2 0 358.457 3.941 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000544374545 945937788 /nfs/dbraw/zinc/93/77/88/945937788.db2.gz USVYETLIZJSNTQ-MAUKXSAKSA-N 2 0 365.949 3.760 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)CC1 ZINC000651797168 945951583 /nfs/dbraw/zinc/95/15/83/945951583.db2.gz AYQWGMHJZGHQQJ-UHFFFAOYSA-N 2 0 350.506 3.938 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)C1 ZINC000440824692 945958073 /nfs/dbraw/zinc/95/80/73/945958073.db2.gz UUVYSAQMEBIYGB-AWEZNQCLSA-N 2 0 366.431 3.950 20 0 FHADRP Brc1cncc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000284200858 945970672 /nfs/dbraw/zinc/97/06/72/945970672.db2.gz BRXCYWGCCPEXIR-GVDBMIGSSA-N 2 0 350.304 3.512 20 0 FHADRP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000550123200 945973955 /nfs/dbraw/zinc/97/39/55/945973955.db2.gz SBBIOZAHLRBERH-AWEZNQCLSA-N 2 0 365.974 3.836 20 0 FHADRP C[C@H](CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056674 946020659 /nfs/dbraw/zinc/02/06/59/946020659.db2.gz LKISGFVMYJJRIA-HKBOAZHASA-N 2 0 374.569 3.803 20 0 FHADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000522893915 946074737 /nfs/dbraw/zinc/07/47/37/946074737.db2.gz ICTYQVALXZJIPS-GHTZIAJQSA-N 2 0 357.542 3.552 20 0 FHADRP CC[C@H](OCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000651908838 946229720 /nfs/dbraw/zinc/22/97/20/946229720.db2.gz ORVJJGFKGXUCJC-NRFANRHFSA-N 2 0 350.466 3.833 20 0 FHADRP COC(=O)c1ccc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000103142988 946250224 /nfs/dbraw/zinc/25/02/24/946250224.db2.gz GEPJEELOGOFNEV-KRWDZBQOSA-N 2 0 370.493 3.971 20 0 FHADRP Cc1nccnc1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639725934 946269170 /nfs/dbraw/zinc/26/91/70/946269170.db2.gz MZGBCEFZEAJKQA-UHFFFAOYSA-N 2 0 350.510 3.663 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCc1cccc2ccccc21 ZINC000441200130 946300628 /nfs/dbraw/zinc/30/06/28/946300628.db2.gz OCADWBLYQNQVTK-YMPZKCBVSA-N 2 0 352.522 3.956 20 0 FHADRP COC(=O)C1(C)CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168055696 946300682 /nfs/dbraw/zinc/30/06/82/946300682.db2.gz XRMQMSLHJHTELW-OPVJXMOQSA-N 2 0 358.526 3.703 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000651930309 946305285 /nfs/dbraw/zinc/30/52/85/946305285.db2.gz ONSFIMDYHPWFHJ-FDDCHVKYSA-N 2 0 356.554 3.877 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccc(Cl)cc1 ZINC000441206539 946315980 /nfs/dbraw/zinc/31/59/80/946315980.db2.gz WWRIMLOMKDMIOO-NXHRZFHOSA-N 2 0 354.947 3.616 20 0 FHADRP C[C@H]1CC(N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067323 946356495 /nfs/dbraw/zinc/35/64/95/946356495.db2.gz TYYBJOURNCFNIU-DHNNRRLOSA-N 2 0 373.560 3.936 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cccc(C(C)(C)C)c1 ZINC000441259919 946356633 /nfs/dbraw/zinc/35/66/33/946356633.db2.gz FEURSESXMYFVET-HMXCVIKNSA-N 2 0 360.542 3.546 20 0 FHADRP C[C@@H]1CC(N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067325 946357023 /nfs/dbraw/zinc/35/70/23/946357023.db2.gz TYYBJOURNCFNIU-PJIZGREPSA-N 2 0 373.560 3.936 20 0 FHADRP C[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168067326 946357155 /nfs/dbraw/zinc/35/71/55/946357155.db2.gz TYYBJOURNCFNIU-UCBRCEGISA-N 2 0 373.560 3.936 20 0 FHADRP OCC[N@@H+]1CCCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000302883543 946367761 /nfs/dbraw/zinc/36/77/61/946367761.db2.gz JOCTYZDUSAYXIE-UHFFFAOYSA-N 2 0 363.461 3.532 20 0 FHADRP C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893488940 946430407 /nfs/dbraw/zinc/43/04/07/946430407.db2.gz VTUOAZOIJYNXCT-WNRNVDISSA-N 2 0 365.562 3.532 20 0 FHADRP COc1ccc(CN2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1F ZINC000500435694 946446102 /nfs/dbraw/zinc/44/61/02/946446102.db2.gz NXPBCURDCHBEHJ-UHFFFAOYSA-N 2 0 369.415 3.844 20 0 FHADRP CC(C)(C)C(=O)N1CCC([NH2+]CCN2CCC3(CCCCC3)CC2)CC1 ZINC000441353485 946469018 /nfs/dbraw/zinc/46/90/18/946469018.db2.gz GRCQXHXYVBAIJW-UHFFFAOYSA-N 2 0 363.590 3.659 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000047978483 946473609 /nfs/dbraw/zinc/47/36/09/946473609.db2.gz GRWXSLXMVJPHAK-JOCHJYFZSA-N 2 0 370.537 3.633 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000047978482 946473856 /nfs/dbraw/zinc/47/38/56/946473856.db2.gz GRWXSLXMVJPHAK-QFIPXVFZSA-N 2 0 370.537 3.633 20 0 FHADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000441356720 946475769 /nfs/dbraw/zinc/47/57/69/946475769.db2.gz QISMWLOAQFBZPR-QFIPXVFZSA-N 2 0 373.585 3.627 20 0 FHADRP CCC(CC)(CNC(=O)c1ccc2c[nH+]cn2c1)[NH2+][C@@H](C)c1ccccc1 ZINC000550323850 946483761 /nfs/dbraw/zinc/48/37/61/946483761.db2.gz BTSAKVGDIGZQAD-KRWDZBQOSA-N 2 0 364.493 3.974 20 0 FHADRP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423028543 946566161 /nfs/dbraw/zinc/56/61/61/946566161.db2.gz GQNVHCDYTWPBTC-TUNNFDKTSA-N 2 0 371.569 3.538 20 0 FHADRP C[C@@H]1CC([NH+]2CCC3(CCC(=O)N3C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058242 946603264 /nfs/dbraw/zinc/60/32/64/946603264.db2.gz PRTJPGDDLFDPRP-RTBURBONSA-N 2 0 369.553 3.515 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561369 946662185 /nfs/dbraw/zinc/66/21/85/946662185.db2.gz YFBQAYNGVXRIDZ-BKKLHLQPSA-N 3 0 367.581 3.894 20 0 FHADRP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000475224250 946746485 /nfs/dbraw/zinc/74/64/85/946746485.db2.gz MWDXNQXPFJEGCU-NRFANRHFSA-N 2 0 352.526 3.538 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348049 946879331 /nfs/dbraw/zinc/87/93/31/946879331.db2.gz SMWRPLQQEFJGNI-VKZRIFJHSA-N 2 0 372.431 3.865 20 0 FHADRP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000550380490 946884414 /nfs/dbraw/zinc/88/44/14/946884414.db2.gz YVQHPXJAFDENIN-QUCCMNQESA-N 2 0 351.579 3.656 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347419 946885601 /nfs/dbraw/zinc/88/56/01/946885601.db2.gz AMTCRRLDEIGSLV-TXTKFYIRSA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000652348623 946893781 /nfs/dbraw/zinc/89/37/81/946893781.db2.gz KTBCNUCCBMRLTJ-QRQLOZEOSA-N 2 0 370.459 3.856 20 0 FHADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350356 946894838 /nfs/dbraw/zinc/89/48/38/946894838.db2.gz UMPZDEBXEFFIRW-QKLQHJQFSA-N 2 0 366.933 3.846 20 0 FHADRP C[NH+](C)Cc1ccc(Br)c(N(C(N)=[NH2+])c2ccc(F)cc2)c1 ZINC001167994332 946903246 /nfs/dbraw/zinc/90/32/46/946903246.db2.gz HSHVIVUHBDVBEO-UHFFFAOYSA-N 2 0 365.250 3.681 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(F)F)cc3)cc2)CC1 ZINC000526973279 946969209 /nfs/dbraw/zinc/96/92/09/946969209.db2.gz MKRCMQQOECPMJM-UHFFFAOYSA-N 2 0 360.448 3.871 20 0 FHADRP Cc1noc([C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168064610 947066701 /nfs/dbraw/zinc/06/67/01/947066701.db2.gz QRIFZMCXXRUBGW-WOUAJJJCSA-N 2 0 354.498 3.609 20 0 FHADRP CCc1ccccc1CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000444649682 947070583 /nfs/dbraw/zinc/07/05/83/947070583.db2.gz AXSRUQRBCXSDKB-UHFFFAOYSA-N 2 0 371.613 3.920 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444669976 947093846 /nfs/dbraw/zinc/09/38/46/947093846.db2.gz HRAPHVAVLGHTMS-GHTZIAJQSA-N 2 0 369.578 3.873 20 0 FHADRP Cc1sc2nc(CN3CCCC3)nc(NCC[N@@H+](C)C(C)C)c2c1C ZINC000301146089 947202248 /nfs/dbraw/zinc/20/22/48/947202248.db2.gz LRWDBFVNAONIBO-UHFFFAOYSA-N 2 0 361.559 3.656 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000523593994 947422362 /nfs/dbraw/zinc/42/23/62/947422362.db2.gz VFVQSFVOEBDQNN-IBGZPJMESA-N 2 0 374.573 3.592 20 0 FHADRP CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652613198 947470808 /nfs/dbraw/zinc/47/08/08/947470808.db2.gz MWYOQCSNYURUNP-QGZVFWFLSA-N 2 0 364.559 3.514 20 0 FHADRP c1cc2c(c(-c3nc(-c4cccc(C[NH+]5CCCCC5)c4)no3)c1)C[NH2+]C2 ZINC000663251213 947539424 /nfs/dbraw/zinc/53/94/24/947539424.db2.gz OGUOHIKNHBNTJP-UHFFFAOYSA-N 2 0 360.461 3.993 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189044462 947611608 /nfs/dbraw/zinc/61/16/08/947611608.db2.gz FCCXAFNJRYMPIX-GOSISDBHSA-N 2 0 358.505 3.815 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260615 947679725 /nfs/dbraw/zinc/67/97/25/947679725.db2.gz ADXQGSIZERFGAR-UHFFFAOYSA-N 3 0 363.549 3.676 20 0 FHADRP COc1ccc(-c2cc(CN(CCC[NH3+])Cc3ccccc3)on2)cc1 ZINC000662273352 947698231 /nfs/dbraw/zinc/69/82/31/947698231.db2.gz URBMMGZHWHXCJT-UHFFFAOYSA-N 2 0 351.450 3.701 20 0 FHADRP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291640 947714874 /nfs/dbraw/zinc/71/48/74/947714874.db2.gz WHMPPEUKBVLRNG-UTKZUKDTSA-N 2 0 371.569 3.850 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc2)n1 ZINC000662293760 947716051 /nfs/dbraw/zinc/71/60/51/947716051.db2.gz SXRGHJZCJUCSQX-NRFANRHFSA-N 2 0 352.526 3.701 20 0 FHADRP CCc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327760 947758688 /nfs/dbraw/zinc/75/86/88/947758688.db2.gz UUWLJWLGAIWYEH-UHFFFAOYSA-N 2 0 352.526 3.819 20 0 FHADRP COc1ccc(C)cc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328982 947759511 /nfs/dbraw/zinc/75/95/11/947759511.db2.gz XUENZKJKEMPZSI-UHFFFAOYSA-N 2 0 368.525 3.573 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662378306 947773873 /nfs/dbraw/zinc/77/38/73/947773873.db2.gz LVKGKOSCIGWHEO-NRFANRHFSA-N 2 0 367.493 3.580 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662386934 947777295 /nfs/dbraw/zinc/77/72/95/947777295.db2.gz PUAWIUFMBGULQK-LVCYWYKZSA-N 2 0 371.569 3.553 20 0 FHADRP Cc1nn(-c2ccc(C)cc2)cc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344103 947806364 /nfs/dbraw/zinc/80/63/64/947806364.db2.gz OFHKEIREXISMLC-HXUWFJFHSA-N 2 0 352.526 3.701 20 0 FHADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000663344079 947806401 /nfs/dbraw/zinc/80/64/01/947806401.db2.gz NKSYXJYBUCOQIQ-WTIAFYNJSA-N 2 0 355.570 3.751 20 0 FHADRP COc1cc(CN2CCN(c3cc[nH+]c(C)c3)CC2)cc(C(F)(F)F)c1 ZINC001143524087 947822830 /nfs/dbraw/zinc/82/28/30/947822830.db2.gz AWXIRWTUGWGZOS-UHFFFAOYSA-N 2 0 365.399 3.740 20 0 FHADRP Cc1ccc2cc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)ccc2n1 ZINC000189811438 947841564 /nfs/dbraw/zinc/84/15/64/947841564.db2.gz VQTDLNHFXQOSCB-RTBURBONSA-N 2 0 367.537 3.864 20 0 FHADRP CN(C(=O)CC[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccccc1 ZINC000663360429 947850083 /nfs/dbraw/zinc/85/00/83/947850083.db2.gz WNFTXPDZRXBIMX-DYESRHJHSA-N 2 0 371.550 3.774 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000662487274 947856674 /nfs/dbraw/zinc/85/66/74/947856674.db2.gz JKVXJUJXFAJEOL-GMAHTHKFSA-N 2 0 371.569 3.512 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662598339 947923992 /nfs/dbraw/zinc/92/39/92/947923992.db2.gz UKTBATZZMKYMSC-JOCHJYFZSA-N 2 0 371.569 3.770 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)C1([NH2+]C2CC2)CCC1)C1CCCCC1 ZINC000662690579 947986148 /nfs/dbraw/zinc/98/61/48/947986148.db2.gz BJYKEYYLIMPLER-UHFFFAOYSA-N 2 0 369.553 3.742 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549613583 948030323 /nfs/dbraw/zinc/03/03/23/948030323.db2.gz HBXAATWOHCSJDL-DKLXNKCPSA-N 2 0 364.533 3.925 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663466155 948051454 /nfs/dbraw/zinc/05/14/54/948051454.db2.gz ORJSBZIRQRZNBY-NZQKXSOJSA-N 2 0 369.597 3.794 20 0 FHADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000663466601 948058041 /nfs/dbraw/zinc/05/80/41/948058041.db2.gz VYPKOXUQDUSAOY-LPHOPBHVSA-N 2 0 360.542 3.655 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1ccccc1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001167821180 948075274 /nfs/dbraw/zinc/07/52/74/948075274.db2.gz CGZZURFPUUFBMQ-BVSLBCMMSA-N 2 0 359.558 3.525 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001167824759 948112878 /nfs/dbraw/zinc/11/28/78/948112878.db2.gz GHEBRSZRRXCKGO-SFHVURJKSA-N 2 0 351.966 3.968 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000663505299 948121863 /nfs/dbraw/zinc/12/18/63/948121863.db2.gz HCEBINPPMYCGOA-SFTDATJTSA-N 2 0 363.590 3.706 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(n2c3ccccc3oc2=O)CC1 ZINC001167825611 948125738 /nfs/dbraw/zinc/12/57/38/948125738.db2.gz KKMGDYJGTUZWNX-QGZVFWFLSA-N 2 0 359.514 3.742 20 0 FHADRP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001936 948170605 /nfs/dbraw/zinc/17/06/05/948170605.db2.gz AJUDCKLPEYBREQ-JIMIUWDKSA-N 2 0 370.537 3.846 20 0 FHADRP COc1cc(-c2ccccc2)ccc1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432344568 948172258 /nfs/dbraw/zinc/17/22/58/948172258.db2.gz DTVLMGOPLSHNBJ-LJQANCHMSA-N 2 0 368.521 3.953 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)cc1 ZINC000512025297 948217389 /nfs/dbraw/zinc/21/73/89/948217389.db2.gz LZANHNXHPULJPT-FQEVSTJZSA-N 2 0 359.558 3.769 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccsc1 ZINC000520515765 948218584 /nfs/dbraw/zinc/21/85/84/948218584.db2.gz DSCIQZMNIWYOOH-RBUKOAKNSA-N 2 0 365.587 3.758 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001167833365 948220604 /nfs/dbraw/zinc/22/06/04/948220604.db2.gz AJTYVMXPDHSBNM-AZUAARDMSA-N 2 0 350.547 3.950 20 0 FHADRP Cc1cccnc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002435 948237428 /nfs/dbraw/zinc/23/74/28/948237428.db2.gz SGNZFIQDABIAHO-YOFSQIOKSA-N 2 0 355.526 3.639 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834923 948275044 /nfs/dbraw/zinc/27/50/44/948275044.db2.gz NWGNWJHBGRIDRQ-XLIONFOSSA-N 2 0 355.567 3.734 20 0 FHADRP C[C@H]1C[C@H](CC[NH2+]Cc2ncc(CN(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045625 948297217 /nfs/dbraw/zinc/29/72/17/948297217.db2.gz NUMPEZXBHRXQRQ-HKUYNNGSSA-N 2 0 372.582 3.595 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001167836805 948307973 /nfs/dbraw/zinc/30/79/73/948307973.db2.gz HLSAGJUFRNJZQF-ZWKOTPCHSA-N 2 0 355.567 3.876 20 0 FHADRP CCc1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000512051453 948312476 /nfs/dbraw/zinc/31/24/76/948312476.db2.gz HUFIZSBZTTUMRP-UHFFFAOYSA-N 2 0 367.537 3.805 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001167839551 948315306 /nfs/dbraw/zinc/31/53/06/948315306.db2.gz ZYPAMRMZLMXOSN-IPMKNSEASA-N 2 0 367.578 3.686 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001167840113 948324656 /nfs/dbraw/zinc/32/46/56/948324656.db2.gz DVWSUIWTRUWGOR-GOSISDBHSA-N 2 0 369.557 3.699 20 0 FHADRP c1cn(-c2ccccc2)c(CN2CCC(c3ncc4n3CCCC4)CC2)n1 ZINC000278950696 948328323 /nfs/dbraw/zinc/32/83/23/948328323.db2.gz VREXQHFPUIGLJB-UHFFFAOYSA-N 2 0 361.493 3.785 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167840423 948336276 /nfs/dbraw/zinc/33/62/76/948336276.db2.gz GPGULTHIZIYKNL-MSOLQXFVSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001167840409 948336633 /nfs/dbraw/zinc/33/66/33/948336633.db2.gz GGMGZINNHDLRPV-OKZBNKHCSA-N 2 0 355.567 3.732 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2F)cc1 ZINC000585810838 948353949 /nfs/dbraw/zinc/35/39/49/948353949.db2.gz LJSGHKSPYAIPNR-UHFFFAOYSA-N 2 0 357.473 3.786 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001167841861 948362442 /nfs/dbraw/zinc/36/24/42/948362442.db2.gz SPXAFVIJXIFTLL-ACIOBRDBSA-N 3 0 357.586 3.951 20 0 FHADRP O=C(CC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000585812288 948368083 /nfs/dbraw/zinc/36/80/83/948368083.db2.gz VJYAOKYCPILFEP-UHFFFAOYSA-N 2 0 351.494 3.517 20 0 FHADRP O=C(CC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1F ZINC000585812312 948368182 /nfs/dbraw/zinc/36/81/82/948368182.db2.gz VZYZWVUROCEEKC-UHFFFAOYSA-N 2 0 369.484 3.656 20 0 FHADRP Cc1cnn(C)c1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000512074477 948368445 /nfs/dbraw/zinc/36/84/45/948368445.db2.gz TYIOJEBHIQVZDJ-UHFFFAOYSA-N 2 0 354.542 3.553 20 0 FHADRP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000520606535 948380268 /nfs/dbraw/zinc/38/02/68/948380268.db2.gz ZQUGNFNIVWNDHM-SFHVURJKSA-N 2 0 360.546 3.567 20 0 FHADRP C[C@@H]1C[N@H+](CCCN[C@@H]2CCCOc3ccc(Cl)cc32)CCCO1 ZINC000432422263 948384482 /nfs/dbraw/zinc/38/44/82/948384482.db2.gz DDNOELNRJKVQSH-CRAIPNDOSA-N 2 0 352.906 3.644 20 0 FHADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432422152 948385233 /nfs/dbraw/zinc/38/52/33/948385233.db2.gz SCPALUASJOSDFJ-ICSRJNTNSA-N 2 0 350.572 3.894 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)CC1 ZINC000512089690 948394386 /nfs/dbraw/zinc/39/43/86/948394386.db2.gz SUJHXUIZTYUUAI-UHFFFAOYSA-N 2 0 363.505 3.860 20 0 FHADRP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000512094202 948405441 /nfs/dbraw/zinc/40/54/41/948405441.db2.gz HOWBLWNHABKCNM-IWFBPKFRSA-N 2 0 357.542 3.509 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000279122074 948527030 /nfs/dbraw/zinc/52/70/30/948527030.db2.gz XHSQOQWQQNVWDJ-GOSISDBHSA-N 2 0 359.514 3.502 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152416010 948593576 /nfs/dbraw/zinc/59/35/76/948593576.db2.gz UOEGFPDYAOISAI-DYVFJYSZSA-N 2 0 365.315 3.737 20 0 FHADRP FC(F)(F)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000109544831 222465644 /nfs/dbraw/zinc/46/56/44/222465644.db2.gz SPNZAQFNZHUUOC-UHFFFAOYSA-N 2 0 356.432 3.640 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000161724381 567962492 /nfs/dbraw/zinc/96/24/92/567962492.db2.gz KCKRLLMDWVJUHR-UHFFFAOYSA-N 2 0 369.509 3.514 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000067452736 568075535 /nfs/dbraw/zinc/07/55/35/568075535.db2.gz HHIFFSGEUZMZDL-GASCZTMLSA-N 2 0 360.420 3.564 20 0 FHADRP COc1ccc(COCCN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000603711642 568137939 /nfs/dbraw/zinc/13/79/39/568137939.db2.gz DNZUUIOWOULHJD-TZIWHRDSSA-N 2 0 360.542 3.798 20 0 FHADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000563117071 568220313 /nfs/dbraw/zinc/22/03/13/568220313.db2.gz SLOYUFKLPRZPEN-QFIPXVFZSA-N 2 0 365.521 3.663 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000314991568 568349475 /nfs/dbraw/zinc/34/94/75/568349475.db2.gz RVQYPJMACWAJOP-QGZVFWFLSA-N 2 0 367.331 3.984 20 0 FHADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000736194550 599308265 /nfs/dbraw/zinc/30/82/65/599308265.db2.gz AMCUDUZYLATJPP-QGZVFWFLSA-N 2 0 368.529 3.516 20 0 FHADRP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000824761440 607750245 /nfs/dbraw/zinc/75/02/45/607750245.db2.gz AQSJQFBMTIYCFL-KRWDZBQOSA-N 2 0 368.529 3.516 20 0 FHADRP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027679 721800904 /nfs/dbraw/zinc/80/09/04/721800904.db2.gz XGACAQNEJTUVTF-SESVDKBCSA-N 2 0 350.510 3.830 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]21 ZINC001165027180 721803078 /nfs/dbraw/zinc/80/30/78/721803078.db2.gz UDDKZBSJGHKPAS-FBBABVLZSA-N 2 0 361.493 3.695 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC000126035474 936341209 /nfs/dbraw/zinc/34/12/09/936341209.db2.gz ASQKUZWHYSQKQX-INIZCTEOSA-N 2 0 369.484 3.898 20 0 FHADRP O=C(CCc1ncc[nH]1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000579717204 927166023 /nfs/dbraw/zinc/16/60/23/927166023.db2.gz VBYHWYAMSQCUJB-UHFFFAOYSA-N 2 0 358.511 3.559 20 0 FHADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000643544788 927384001 /nfs/dbraw/zinc/38/40/01/927384001.db2.gz SWUKULPGBZGJBG-GWDGTEMLSA-N 2 0 367.537 3.721 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000579776679 927387953 /nfs/dbraw/zinc/38/79/53/927387953.db2.gz ZJCVRQPSJJUHIT-HXUWFJFHSA-N 2 0 352.526 3.653 20 0 FHADRP C[NH+](C)CCOCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000579794167 927529459 /nfs/dbraw/zinc/52/94/59/927529459.db2.gz PMLHNPFFTVLBIQ-UHFFFAOYSA-N 2 0 358.448 3.899 20 0 FHADRP CN(CC[N@H+](C)Cc1cc(-c2ccccc2)cs1)C1CC[NH+](C)CC1 ZINC000583170558 937204794 /nfs/dbraw/zinc/20/47/94/937204794.db2.gz DHVUNFKWCMVRBO-UHFFFAOYSA-N 2 0 357.567 3.873 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458413731 937204820 /nfs/dbraw/zinc/20/48/20/937204820.db2.gz PERARXCLUUISHR-SFHVURJKSA-N 2 0 374.573 3.632 20 0 FHADRP C[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000375591496 927966438 /nfs/dbraw/zinc/96/64/38/927966438.db2.gz NHCGRHMKTYPHDM-APWZRJJASA-N 2 0 369.475 3.521 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000154453216 937223776 /nfs/dbraw/zinc/22/37/76/937223776.db2.gz YZQUNDMYRBKFEX-LJQANCHMSA-N 2 0 365.949 3.561 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000583198990 937234062 /nfs/dbraw/zinc/23/40/62/937234062.db2.gz SWJNMSBTBARKML-MRXNPFEDSA-N 2 0 351.922 3.913 20 0 FHADRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC[C@@H](C)CC(C)(C)C)CC2)C1 ZINC001208665941 928378619 /nfs/dbraw/zinc/37/86/19/928378619.db2.gz SUHSFOHJZMVUOR-QZTJIDSGSA-N 2 0 352.563 3.798 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170837 928503596 /nfs/dbraw/zinc/50/35/96/928503596.db2.gz UFTKRMMNQUIJAF-IBGZPJMESA-N 2 0 353.510 3.510 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000246895987 928721546 /nfs/dbraw/zinc/72/15/46/928721546.db2.gz FQCJFLXNMHYZRC-RBUKOAKNSA-N 2 0 357.542 3.976 20 0 FHADRP C[C@@H]([NH2+]CCCc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000126436495 937272656 /nfs/dbraw/zinc/27/26/56/937272656.db2.gz UORBWKADWMJQAX-CYBMUJFWSA-N 2 0 357.311 3.841 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000154515032 928887250 /nfs/dbraw/zinc/88/72/50/928887250.db2.gz GHIZFXLEMNAGFN-MRXNPFEDSA-N 2 0 357.464 3.774 20 0 FHADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C12CCCC2 ZINC000579868362 928915036 /nfs/dbraw/zinc/91/50/36/928915036.db2.gz JRKSIXRQZRMVFM-YADHBBJMSA-N 2 0 372.553 3.987 20 0 FHADRP COCC(C)(C)CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000583285985 937316071 /nfs/dbraw/zinc/31/60/71/937316071.db2.gz YIXCPNUAZWHUMN-UHFFFAOYSA-N 2 0 361.574 3.759 20 0 FHADRP c1ccc(COc2cccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2)nc1 ZINC000180124504 929383655 /nfs/dbraw/zinc/38/36/55/929383655.db2.gz QCSGXKUZUJXWBE-UHFFFAOYSA-N 2 0 365.521 3.968 20 0 FHADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Nc1ccccc1 ZINC000180139215 929388515 /nfs/dbraw/zinc/38/85/15/929388515.db2.gz YLBDHHDOWPWAJJ-FRIKZZABSA-N 2 0 363.505 3.800 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180440001 929512525 /nfs/dbraw/zinc/51/25/25/929512525.db2.gz FYDCEKHJQHNVJQ-FQEVSTJZSA-N 2 0 351.538 3.639 20 0 FHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)[C@@H](C)C2 ZINC000180472291 929519785 /nfs/dbraw/zinc/51/97/85/929519785.db2.gz HUYPZMIQRUINHM-UUOWRZLLSA-N 2 0 364.533 3.975 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180486036 929524912 /nfs/dbraw/zinc/52/49/12/929524912.db2.gz RMGXLJMEBOLENE-NRFANRHFSA-N 2 0 358.913 3.723 20 0 FHADRP Cc1ccc(C)c([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180495666 929526085 /nfs/dbraw/zinc/52/60/85/929526085.db2.gz USILLYCBZGCNIS-NFBKMPQASA-N 2 0 351.538 3.618 20 0 FHADRP C[NH+](C)CCCCCCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080101736 929597218 /nfs/dbraw/zinc/59/72/18/929597218.db2.gz HHPQKARHLTXZSY-UHFFFAOYSA-N 2 0 366.594 3.595 20 0 FHADRP [NH3+]Cc1cnc2c(ccn2-c2ccnc3ccc(Br)cc32)c1 ZINC001167313058 929700719 /nfs/dbraw/zinc/70/07/19/929700719.db2.gz FWGORUPFYQQDGI-UHFFFAOYSA-N 2 0 353.223 3.795 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000275658705 929747251 /nfs/dbraw/zinc/74/72/51/929747251.db2.gz QRGLIONSPQYJHA-UHFFFAOYSA-N 2 0 353.510 3.885 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccnc(Cl)c3)cc2)CC1 ZINC000160322682 929786874 /nfs/dbraw/zinc/78/68/74/929786874.db2.gz LPSMTMTUQUDXPN-KRWDZBQOSA-N 2 0 372.944 3.723 20 0 FHADRP Cc1ccc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1C ZINC001167342457 930035213 /nfs/dbraw/zinc/03/52/13/930035213.db2.gz XYPGDJZINFWAFC-UHFFFAOYSA-N 2 0 351.538 3.553 20 0 FHADRP C[N@H+](CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCCCC1 ZINC000548063948 930262859 /nfs/dbraw/zinc/26/28/59/930262859.db2.gz QMDFLOCACKABMC-UHFFFAOYSA-N 2 0 357.542 3.918 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[NH+](C)C2CCCCC2)c1 ZINC000548064842 930278809 /nfs/dbraw/zinc/27/88/09/930278809.db2.gz HXAZUVUNAACJDQ-UHFFFAOYSA-N 2 0 359.558 3.798 20 0 FHADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000580202203 930358727 /nfs/dbraw/zinc/35/87/27/930358727.db2.gz AAYGBTGVVDZGKK-HSZRJFAPSA-N 2 0 368.521 3.885 20 0 FHADRP Cc1ccccc1-c1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000580245250 930396738 /nfs/dbraw/zinc/39/67/38/930396738.db2.gz GVQIXOLVRCSPRZ-UHFFFAOYSA-N 2 0 351.538 3.731 20 0 FHADRP CC(C)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000580253405 930408530 /nfs/dbraw/zinc/40/85/30/930408530.db2.gz VVCSLOPSMOALOM-FQEVSTJZSA-N 2 0 363.452 3.787 20 0 FHADRP C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000683927669 930636838 /nfs/dbraw/zinc/63/68/38/930636838.db2.gz RUWWCLHAKYUVEP-MRXNPFEDSA-N 2 0 366.484 3.910 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939720 930690269 /nfs/dbraw/zinc/69/02/69/930690269.db2.gz HZIYDXNZFSCZTB-YQFWSFKMSA-N 2 0 367.990 3.652 20 0 FHADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000580478447 930725340 /nfs/dbraw/zinc/72/53/40/930725340.db2.gz GXQZPYCJBKCCBU-UHFFFAOYSA-N 2 0 354.542 3.991 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000580565667 930862355 /nfs/dbraw/zinc/86/23/55/930862355.db2.gz LSYFLRZLLBRTTH-HIFRSBDPSA-N 2 0 354.432 3.536 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000471602814 930928336 /nfs/dbraw/zinc/92/83/36/930928336.db2.gz PYOJUGCHLRQTQD-YDHSSHFGSA-N 2 0 369.553 3.969 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000047976789 930955365 /nfs/dbraw/zinc/95/53/65/930955365.db2.gz ITABVSCMUXBUEY-QFIPXVFZSA-N 2 0 359.558 3.554 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000047978746 930975369 /nfs/dbraw/zinc/97/53/69/930975369.db2.gz OEINUMYWNCDOQM-QFIPXVFZSA-N 2 0 371.569 3.624 20 0 FHADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000510349717 931160983 /nfs/dbraw/zinc/16/09/83/931160983.db2.gz XTHSGKBRRKHYKX-LJQANCHMSA-N 2 0 357.542 3.553 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccc(O)cc3)CC2)cc1 ZINC000510355462 931213346 /nfs/dbraw/zinc/21/33/46/931213346.db2.gz OMJJAUWHVBEOBN-SFHVURJKSA-N 2 0 368.521 3.834 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684112811 931352896 /nfs/dbraw/zinc/35/28/96/931352896.db2.gz CBODITSDYSHDAG-FGZHOGPDSA-N 2 0 366.553 3.948 20 0 FHADRP CCCOc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC(F)F)c1 ZINC000123319193 931373000 /nfs/dbraw/zinc/37/30/00/931373000.db2.gz IZUAHFZHXJVESH-AWEZNQCLSA-N 2 0 356.457 3.897 20 0 FHADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cc1ccc2ccccc2c1 ZINC000581066768 931536210 /nfs/dbraw/zinc/53/62/10/931536210.db2.gz WKMWBSYOUNVOBO-HSZRJFAPSA-N 2 0 352.522 3.740 20 0 FHADRP c1ncc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407194 931603371 /nfs/dbraw/zinc/60/33/71/931603371.db2.gz RASLDCXDNNYIKD-NRDMVMEKSA-N 2 0 353.535 3.528 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccsc1 ZINC000510367758 931654543 /nfs/dbraw/zinc/65/45/43/931654543.db2.gz TVTJBMQTMAGZTH-WMZOPIPTSA-N 2 0 351.560 3.512 20 0 FHADRP CSC1(C[NH2+][C@H](C)c2ccc(Br)s2)CC[NH+](C)CC1 ZINC000581220976 931696669 /nfs/dbraw/zinc/69/66/69/931696669.db2.gz SBWNREMMFKYBIT-LLVKDONJSA-N 2 0 363.390 3.989 20 0 FHADRP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156443 931718676 /nfs/dbraw/zinc/71/86/76/931718676.db2.gz ZAFNCHNWIQOUHI-FPOVZHCZSA-N 2 0 367.537 3.950 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581255466 931743313 /nfs/dbraw/zinc/74/33/13/931743313.db2.gz IOWMMLIQECQZOG-SJORKVTESA-N 2 0 365.587 3.504 20 0 FHADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548157749 931749157 /nfs/dbraw/zinc/74/91/57/931749157.db2.gz SPHIIXRZLSAPHP-SESVDKBCSA-N 2 0 356.510 3.727 20 0 FHADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430548570 931782028 /nfs/dbraw/zinc/78/20/28/931782028.db2.gz MCBKBQMZOQGDHR-RCCFBDPRSA-N 2 0 367.493 3.865 20 0 FHADRP Clc1ccc(N2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000656493825 931877812 /nfs/dbraw/zinc/87/78/12/931877812.db2.gz BNLMEWGWKIKUFL-QGZVFWFLSA-N 2 0 370.928 3.820 20 0 FHADRP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510417482 931994218 /nfs/dbraw/zinc/99/42/18/931994218.db2.gz VPLCKSUBPSKUIW-GUDVDZBRSA-N 2 0 368.521 3.722 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598001 932029114 /nfs/dbraw/zinc/02/91/14/932029114.db2.gz NDUOBTQDLCPJIY-GXTWGEPZSA-N 2 0 364.287 3.663 20 0 FHADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1F ZINC000656678099 932320405 /nfs/dbraw/zinc/32/04/05/932320405.db2.gz RSGIWBGHVXOTCJ-FQEVSTJZSA-N 2 0 352.469 3.897 20 0 FHADRP c1ccc(COc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc2)nc1 ZINC000656786682 932422300 /nfs/dbraw/zinc/42/23/00/932422300.db2.gz PARZQEJCSYIFKT-NRFANRHFSA-N 2 0 365.521 3.872 20 0 FHADRP C[NH2+]C[C@@H]1CCCN([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000430631236 932423041 /nfs/dbraw/zinc/42/30/41/932423041.db2.gz UAPKRKQNINVLRE-MSOLQXFVSA-N 2 0 351.494 3.931 20 0 FHADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(SC)cc1OC ZINC000656786956 932425783 /nfs/dbraw/zinc/42/57/83/932425783.db2.gz YCBHRFNCYUNLBP-MRXNPFEDSA-N 2 0 364.555 3.637 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787081 932426153 /nfs/dbraw/zinc/42/61/53/932426153.db2.gz SPIVKGFMJRHKDG-HNNXBMFYSA-N 2 0 360.452 3.567 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684377366 932475988 /nfs/dbraw/zinc/47/59/88/932475988.db2.gz KZOHDIZXCAWLCJ-YTQUADARSA-N 2 0 363.521 3.576 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000581684119 932486572 /nfs/dbraw/zinc/48/65/72/932486572.db2.gz WZFJHPREGMSHTH-UHFFFAOYSA-N 2 0 367.537 3.563 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(C)c1OC ZINC000581693887 932512608 /nfs/dbraw/zinc/51/26/08/932512608.db2.gz TYBDZUVQGKMRJD-GOSISDBHSA-N 2 0 369.509 3.925 20 0 FHADRP CCC(CC)(CCO)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000155351287 932579336 /nfs/dbraw/zinc/57/93/36/932579336.db2.gz SEFGHIGHQPEEDJ-UHFFFAOYSA-N 2 0 350.522 3.611 20 0 FHADRP CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](C)C(=O)OC)C2 ZINC001279517703 932628699 /nfs/dbraw/zinc/62/86/99/932628699.db2.gz OJAIHBIXCWXABO-SVFBPWRDSA-N 2 0 352.563 3.800 20 0 FHADRP FC1(F)CCC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000647199181 932997121 /nfs/dbraw/zinc/99/71/21/932997121.db2.gz QGXIQXKNODAWAC-UHFFFAOYSA-N 2 0 352.469 3.871 20 0 FHADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000581941736 933090398 /nfs/dbraw/zinc/09/03/98/933090398.db2.gz BKVUDVBSMZTHPW-MISYRCLQSA-N 2 0 359.558 3.522 20 0 FHADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000090971356 933113186 /nfs/dbraw/zinc/11/31/86/933113186.db2.gz ZMPHZDMSIONMGM-MRXNPFEDSA-N 2 0 370.566 3.834 20 0 FHADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471854959 933154777 /nfs/dbraw/zinc/15/47/77/933154777.db2.gz CPJUATWKYYOETQ-GMAHTHKFSA-N 2 0 365.521 3.817 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000520044837 933157880 /nfs/dbraw/zinc/15/78/80/933157880.db2.gz ZLASNJXNRVWQRA-QPIRBTGLSA-N 2 0 351.579 3.514 20 0 FHADRP CN(c1ccccc1CNc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000156533670 933186490 /nfs/dbraw/zinc/18/64/90/933186490.db2.gz PCFBHVCATNNCOL-UHFFFAOYSA-N 2 0 366.553 3.891 20 0 FHADRP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000562986343 933603448 /nfs/dbraw/zinc/60/34/48/933603448.db2.gz AKQQYYGKARWYMU-ZWKOTPCHSA-N 2 0 368.949 3.632 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1)C1CC1 ZINC000510738155 933623399 /nfs/dbraw/zinc/62/33/99/933623399.db2.gz SPJLTXPSBNNUSI-FQEVSTJZSA-N 2 0 371.550 3.765 20 0 FHADRP CCC[N@H+](Cc1cc(Br)cc2cccnc21)C1CC[NH2+]CC1 ZINC000431069606 933780568 /nfs/dbraw/zinc/78/05/68/933780568.db2.gz MKEMMHNVTMGXDE-UHFFFAOYSA-N 2 0 362.315 3.961 20 0 FHADRP COc1ccc([C@H](CNc2cc[nH+]c3c(O)cccc23)[NH+](C)C)cc1OC ZINC000684565444 934020828 /nfs/dbraw/zinc/02/08/28/934020828.db2.gz HSJPSIHHGSYJDG-KRWDZBQOSA-N 2 0 367.449 3.672 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381288 934031849 /nfs/dbraw/zinc/03/18/49/934031849.db2.gz DMNJAWBRKWECTJ-UHFFFAOYSA-N 2 0 358.505 3.792 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000132303326 934033808 /nfs/dbraw/zinc/03/38/08/934033808.db2.gz GYSAMDJJPWWGHZ-CRAIPNDOSA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000132332694 934040763 /nfs/dbraw/zinc/04/07/63/934040763.db2.gz HRMXPBZJQARJDC-KSSFIOAISA-N 2 0 358.357 3.916 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000092454308 934057986 /nfs/dbraw/zinc/05/79/86/934057986.db2.gz NBTOTACTICZFGJ-UHFFFAOYSA-N 2 0 359.558 3.608 20 0 FHADRP COC1CC[NH+](C2(CNc3cc[nH+]c4c(O)cccc34)CCCC2)CC1 ZINC000684572907 934097300 /nfs/dbraw/zinc/09/73/00/934097300.db2.gz YCGHGRUONCDRJR-UHFFFAOYSA-N 2 0 355.482 3.776 20 0 FHADRP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000380427424 934137644 /nfs/dbraw/zinc/13/76/44/934137644.db2.gz JJERJVOOZQIRIG-VQIMIIECSA-N 2 0 370.468 3.613 20 0 FHADRP CC[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+](CC)CC ZINC000535695991 934290644 /nfs/dbraw/zinc/29/06/44/934290644.db2.gz IUSLGORYWFMCGX-OAQYLSRUSA-N 2 0 371.569 3.622 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC(C)C)CC2)CC1 ZINC000535796968 934391220 /nfs/dbraw/zinc/39/12/20/934391220.db2.gz KAASPVWEHBHZMC-UHFFFAOYSA-N 2 0 359.558 3.608 20 0 FHADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000535818227 934445462 /nfs/dbraw/zinc/44/54/62/934445462.db2.gz DBAGMDVXVSATKH-FQEVSTJZSA-N 2 0 369.553 3.918 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccnc4ccccc34)CC2)C[C@H](C)O1 ZINC000535827854 934528114 /nfs/dbraw/zinc/52/81/14/934528114.db2.gz CEJQCTKAHQORGF-ROUUACIJSA-N 2 0 353.510 3.556 20 0 FHADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000535833986 934571754 /nfs/dbraw/zinc/57/17/54/934571754.db2.gz DQRGLZKXTXRKOQ-MRXNPFEDSA-N 2 0 365.587 3.715 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000181210591 934600991 /nfs/dbraw/zinc/60/09/91/934600991.db2.gz WMUWYBUQQGLIIA-QGZVFWFLSA-N 2 0 359.514 3.959 20 0 FHADRP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000236634074 934755962 /nfs/dbraw/zinc/75/59/62/934755962.db2.gz NRQDHNSBLSDFLW-SIKLNZKXSA-N 2 0 371.569 3.561 20 0 FHADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236651471 934757885 /nfs/dbraw/zinc/75/78/85/934757885.db2.gz NZZGWKRVWQOFTD-MOPGFXCFSA-N 2 0 371.550 3.727 20 0 FHADRP CCC(CC)(CNC(=O)[C@H]([NH3+])c1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000236867470 934855268 /nfs/dbraw/zinc/85/52/68/934855268.db2.gz UMOUNOSFPYAMFL-FXAWDEMLSA-N 2 0 353.510 3.712 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000511014775 934891878 /nfs/dbraw/zinc/89/18/78/934891878.db2.gz XSDNKAMALUJUOV-UXHICEINSA-N 2 0 371.569 3.655 20 0 FHADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156887085 934968475 /nfs/dbraw/zinc/96/84/75/934968475.db2.gz XFNZOLVZNVVVIX-APWZRJJASA-N 2 0 371.550 3.605 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000537969299 934993234 /nfs/dbraw/zinc/99/32/34/934993234.db2.gz SVJWVGSTOOAZCM-OWCLPIDISA-N 2 0 369.347 3.989 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)[C@H](C)C1 ZINC000130494241 935090078 /nfs/dbraw/zinc/09/00/78/935090078.db2.gz HVYHIUWFGREOEX-VQIMIIECSA-N 2 0 366.509 3.995 20 0 FHADRP CC1CC[NH+](CCCC[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657312933 935121303 /nfs/dbraw/zinc/12/13/03/935121303.db2.gz MPSSCSDVEXLMEL-UHFFFAOYSA-N 2 0 358.299 3.585 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000152000267 935156126 /nfs/dbraw/zinc/15/61/26/935156126.db2.gz QSEKUKAPSQNNCL-JOCHJYFZSA-N 2 0 365.521 3.836 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000431340321 935181418 /nfs/dbraw/zinc/18/14/18/935181418.db2.gz BFMSKCYFVMFSAS-AEFFLSMTSA-N 2 0 354.922 3.809 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cncc(Br)c2C)c1 ZINC000657348146 935305579 /nfs/dbraw/zinc/30/55/79/935305579.db2.gz LWERLUQESDQLIE-UHFFFAOYSA-N 2 0 362.315 3.894 20 0 FHADRP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185940325 935315530 /nfs/dbraw/zinc/31/55/30/935315530.db2.gz JCSPWYLVESOVDM-OXJNMPFZSA-N 2 0 354.498 3.561 20 0 FHADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192985 935391732 /nfs/dbraw/zinc/39/17/32/935391732.db2.gz ZYWBKRMJVGMUOT-FPOVZHCZSA-N 2 0 371.569 3.685 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000519078247 945104136 /nfs/dbraw/zinc/10/41/36/945104136.db2.gz HWHBETADTYFWMO-MOPGFXCFSA-N 2 0 374.573 3.591 20 0 FHADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415006777 945107934 /nfs/dbraw/zinc/10/79/34/945107934.db2.gz AENQPNXLPCOCCH-ZDUSSCGKSA-N 2 0 365.319 3.550 20 0 FHADRP CCCC[C@H](C[NH3+])NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000429611682 945108999 /nfs/dbraw/zinc/10/89/99/945108999.db2.gz OVNCLURWPMWBGD-OAQYLSRUSA-N 2 0 353.510 3.566 20 0 FHADRP CSc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1F ZINC000158467121 935584705 /nfs/dbraw/zinc/58/47/05/935584705.db2.gz XIMAGLGOTJSWFV-OAHLLOKOSA-N 2 0 374.529 3.545 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963992 945113795 /nfs/dbraw/zinc/11/37/95/945113795.db2.gz WCLNZGOHDFSLPG-SFHLNBCPSA-N 2 0 361.574 3.506 20 0 FHADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CC4(C3)CCCCC4)c2)C1 ZINC000582413943 935668150 /nfs/dbraw/zinc/66/81/50/935668150.db2.gz NEEJGRRUZMTNNA-FQEVSTJZSA-N 2 0 369.553 3.586 20 0 FHADRP CCCn1nccc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657433246 935723297 /nfs/dbraw/zinc/72/32/97/935723297.db2.gz YSLFWZBNSNLDQO-BAGYTPMASA-N 2 0 352.526 3.683 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccsc2S1 ZINC000159151728 935802781 /nfs/dbraw/zinc/80/27/81/935802781.db2.gz ZSMMIRUNOZHDAY-YOEHRIQHSA-N 2 0 374.579 3.610 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000159238412 935819120 /nfs/dbraw/zinc/81/91/20/935819120.db2.gz VRKMBBUSENQKFW-GOSISDBHSA-N 2 0 353.510 3.900 20 0 FHADRP Clc1ccc(OCc2cccnc2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262069967 945127038 /nfs/dbraw/zinc/12/70/38/945127038.db2.gz RXYVBRCKEAXQRJ-UHFFFAOYSA-N 2 0 371.912 3.890 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586066 935846288 /nfs/dbraw/zinc/84/62/88/935846288.db2.gz GXYKNDASPNONHT-QZTJIDSGSA-N 2 0 355.567 3.876 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000582591759 935855792 /nfs/dbraw/zinc/85/57/92/935855792.db2.gz LBOJNTDDNVQFKZ-CABCVRRESA-N 2 0 371.447 3.744 20 0 FHADRP C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955166 935898045 /nfs/dbraw/zinc/89/80/45/935898045.db2.gz IMHCRVXLKCBJDQ-UZLBHIALSA-N 2 0 368.500 3.701 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000684955159 935898064 /nfs/dbraw/zinc/89/80/64/935898064.db2.gz IMHCRVXLKCBJDQ-OXJNMPFZSA-N 2 0 368.500 3.701 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439970900 945133867 /nfs/dbraw/zinc/13/38/67/945133867.db2.gz ILQXDCIWZIUZPC-GCJKJVERSA-N 2 0 369.553 3.735 20 0 FHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439970899 945133947 /nfs/dbraw/zinc/13/39/47/945133947.db2.gz ILQXDCIWZIUZPC-AVRDEDQJSA-N 2 0 369.553 3.735 20 0 FHADRP FC(F)(F)Oc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536825 935976703 /nfs/dbraw/zinc/97/67/03/935976703.db2.gz QIYYFDXMOVNBTP-UHFFFAOYSA-N 2 0 372.431 3.566 20 0 FHADRP C[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1 ZINC000657594920 936075683 /nfs/dbraw/zinc/07/56/83/936075683.db2.gz FJMKGPVMBUDJMZ-HRAATJIYSA-N 2 0 358.913 3.800 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3C(F)(F)F)cc2)C1 ZINC000657594704 936075730 /nfs/dbraw/zinc/07/57/30/936075730.db2.gz SFOUBXZLIGMTQL-GOSISDBHSA-N 2 0 364.411 3.562 20 0 FHADRP CC(C)Oc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000657612255 936091788 /nfs/dbraw/zinc/09/17/88/936091788.db2.gz KNPBQVOVAYQDHX-UHFFFAOYSA-N 2 0 353.510 3.871 20 0 FHADRP c1ccc(-c2ncc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cn2)cc1 ZINC000657613150 936093822 /nfs/dbraw/zinc/09/38/22/936093822.db2.gz WSKBBCTVNQLKRW-UHFFFAOYSA-N 2 0 373.504 3.540 20 0 FHADRP CC(C)Oc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612765 936099412 /nfs/dbraw/zinc/09/94/12/936099412.db2.gz RGZHBNRFSPPIEN-UHFFFAOYSA-N 2 0 353.510 3.871 20 0 FHADRP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000564414822 938254854 /nfs/dbraw/zinc/25/48/54/938254854.db2.gz NXZSCEMIOMZSMV-VZVUQDNOSA-N 2 0 368.468 3.782 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000472288338 938265388 /nfs/dbraw/zinc/26/53/88/938265388.db2.gz VFWNQTMZNPKSSH-LJQANCHMSA-N 2 0 357.498 3.583 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000650706430 938285900 /nfs/dbraw/zinc/28/59/00/938285900.db2.gz KNVJYUSJXPENFW-LMMKCTJWSA-N 2 0 357.523 3.528 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000650708348 938288217 /nfs/dbraw/zinc/28/82/17/938288217.db2.gz YFQAZXPSSSVRAP-CKEIUWERSA-N 2 0 360.395 3.563 20 0 FHADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1OCC(F)(F)F ZINC000650717688 938304650 /nfs/dbraw/zinc/30/46/50/938304650.db2.gz JJJKYKSNFHSBJH-UHFFFAOYSA-N 2 0 372.362 3.524 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000650718613 938306262 /nfs/dbraw/zinc/30/62/62/938306262.db2.gz SAXPQOFYRCLEFH-UHFFFAOYSA-N 2 0 354.885 3.594 20 0 FHADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(C)c1OC(F)F ZINC000650721837 938310353 /nfs/dbraw/zinc/31/03/53/938310353.db2.gz CWPRIHSOKPDPCE-RCCFBDPRSA-N 2 0 368.468 3.766 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(OC3CCCC3)c2)C1 ZINC000650721935 938310409 /nfs/dbraw/zinc/31/04/09/938310409.db2.gz GMMGIZRIRGRDKU-COPCDDAFSA-N 2 0 358.526 3.869 20 0 FHADRP CCn1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1C ZINC000657772947 938312996 /nfs/dbraw/zinc/31/29/96/938312996.db2.gz OVNLRPXDXDJQRO-OAQYLSRUSA-N 2 0 366.553 3.912 20 0 FHADRP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[N@@H+]1C1CC1 ZINC000657774506 938313976 /nfs/dbraw/zinc/31/39/76/938313976.db2.gz ZHPZQBATJJWEDP-NRSPTQNISA-N 2 0 353.554 3.504 20 0 FHADRP CCc1ccc2c(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc(=O)oc2c1 ZINC000728571669 938333830 /nfs/dbraw/zinc/33/38/30/938333830.db2.gz JXFLSUSYRAJGNN-UHFFFAOYSA-N 2 0 356.510 3.908 20 0 FHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745396 938371469 /nfs/dbraw/zinc/37/14/69/938371469.db2.gz FRZHXGOMOINAQH-XHDPSFHLSA-N 2 0 355.345 3.951 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000278405032 938390632 /nfs/dbraw/zinc/39/06/32/938390632.db2.gz HCKOKXBVLUQLRC-HNNXBMFYSA-N 2 0 363.933 3.830 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000536158660 938478446 /nfs/dbraw/zinc/47/84/46/938478446.db2.gz PKOPIGNYCWQOTP-NQIIRXRSSA-N 2 0 362.533 3.875 20 0 FHADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OCc1ccccc1 ZINC000414963903 945180792 /nfs/dbraw/zinc/18/07/92/945180792.db2.gz DJOXKGJBMYTKQJ-HXUWFJFHSA-N 2 0 354.494 3.896 20 0 FHADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OCc1ccccc1 ZINC000414963881 945181387 /nfs/dbraw/zinc/18/13/87/945181387.db2.gz DHWDBFJRWPTUDT-FQEVSTJZSA-N 2 0 354.494 3.896 20 0 FHADRP C[NH+]1CCC(N2CCC([NH2+]CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000278629668 938602589 /nfs/dbraw/zinc/60/25/89/938602589.db2.gz GULWBRJQEZNWJT-UHFFFAOYSA-N 2 0 367.940 3.560 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657832297 938623952 /nfs/dbraw/zinc/62/39/52/938623952.db2.gz HXCCRFRYAGONPD-GOSISDBHSA-N 2 0 371.491 3.642 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000584255604 938661715 /nfs/dbraw/zinc/66/17/15/938661715.db2.gz PDFMHYXNKSSRNP-HXUWFJFHSA-N 2 0 353.510 3.924 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccccc1 ZINC000584307934 938679597 /nfs/dbraw/zinc/67/95/97/938679597.db2.gz JDLYQPTZBIRETM-JOCHJYFZSA-N 2 0 367.537 3.855 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000657837930 938680144 /nfs/dbraw/zinc/68/01/44/938680144.db2.gz XOQPWLKKBQJSQY-VQIMIIECSA-N 2 0 371.491 3.642 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1OCc1ccccc1 ZINC000151813060 938686396 /nfs/dbraw/zinc/68/63/96/938686396.db2.gz XXATYVOWDKAPDV-LJQANCHMSA-N 2 0 368.521 3.621 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657839970 938703033 /nfs/dbraw/zinc/70/30/33/938703033.db2.gz JSKRGWNNDHOXRH-DBXWQHBBSA-N 2 0 352.526 3.986 20 0 FHADRP CCOC1CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000657849564 938714313 /nfs/dbraw/zinc/71/43/13/938714313.db2.gz IJFFLOOWLHQLTF-UHFFFAOYSA-N 2 0 359.558 3.526 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2F)[C@H](C)C1 ZINC000151857391 938776629 /nfs/dbraw/zinc/77/66/29/938776629.db2.gz NVLIOWNTCPKVSZ-QINHECLXSA-N 2 0 354.485 3.795 20 0 FHADRP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151866852 938798222 /nfs/dbraw/zinc/79/82/22/938798222.db2.gz RITKKGXRTHMCFW-HXUWFJFHSA-N 2 0 352.950 3.591 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000151866336 938798275 /nfs/dbraw/zinc/79/82/75/938798275.db2.gz HVEVLTSKXKEJNO-DEOSSOPVSA-N 2 0 366.549 3.524 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000516745426 945209752 /nfs/dbraw/zinc/20/97/52/945209752.db2.gz ULFMCQNTFQJAKF-PKOBYXMFSA-N 2 0 357.523 3.528 20 0 FHADRP c1ccc(N2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000089214988 938853935 /nfs/dbraw/zinc/85/39/35/938853935.db2.gz PBBBSAUBDIFBSW-UHFFFAOYSA-N 2 0 350.510 3.557 20 0 FHADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000584426375 938860426 /nfs/dbraw/zinc/86/04/26/938860426.db2.gz NGJBTBTUPJZZMX-YTFSRNRJSA-N 3 0 367.537 3.874 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000657861033 938880348 /nfs/dbraw/zinc/88/03/48/938880348.db2.gz OAAYEASXMLHTPO-HSZRJFAPSA-N 2 0 374.569 3.984 20 0 FHADRP CCc1ccc([C@@H](CO)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000090844218 938883506 /nfs/dbraw/zinc/88/35/06/938883506.db2.gz PBSYWDRGKHNLES-HTAPYJJXSA-N 2 0 356.510 3.574 20 0 FHADRP CCc1noc(C2CCC([NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)CC2)n1 ZINC000647344479 938979188 /nfs/dbraw/zinc/97/91/88/938979188.db2.gz RMCPWHSJJOYDON-NBDWZHNGSA-N 2 0 368.525 3.593 20 0 FHADRP C[C@H]([NH2+][C@H]1CCc2cc(O)ccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685429415 938986494 /nfs/dbraw/zinc/98/64/94/938986494.db2.gz JPPLRZNTFLTLDA-WTOYTKOKSA-N 2 0 350.506 3.750 20 0 FHADRP c1cc2c(cccc2C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000685441913 938986747 /nfs/dbraw/zinc/98/67/47/938986747.db2.gz FGBRIWCFYGDCSF-QFIPXVFZSA-N 2 0 374.532 3.560 20 0 FHADRP CC(C)CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457304 938987967 /nfs/dbraw/zinc/98/79/67/938987967.db2.gz VQHZMUFGHYCMBL-JOCHJYFZSA-N 2 0 373.585 3.712 20 0 FHADRP C[N@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000685458061 938987997 /nfs/dbraw/zinc/98/79/97/938987997.db2.gz ZPTTUPSVDZDXSO-RJGXRXQPSA-N 2 0 355.570 3.597 20 0 FHADRP C[N@@H+]([C@@H]1CC[C@@](C)(c2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458064 938988071 /nfs/dbraw/zinc/98/80/71/938988071.db2.gz ZPTTUPSVDZDXSO-XPWALMASSA-N 2 0 355.570 3.597 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000657890954 938990165 /nfs/dbraw/zinc/99/01/65/938990165.db2.gz XTFSAKHTMBIIKE-RTBURBONSA-N 2 0 368.521 3.934 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657899702 938993099 /nfs/dbraw/zinc/99/30/99/938993099.db2.gz WOVSSJOYDWUUQL-SFHVURJKSA-N 2 0 371.491 3.642 20 0 FHADRP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000657976505 939014862 /nfs/dbraw/zinc/01/48/62/939014862.db2.gz OEEUYTUPZUUAAI-LPHOPBHVSA-N 2 0 371.491 3.642 20 0 FHADRP c1cn(-c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2)cn1 ZINC000585748446 939017939 /nfs/dbraw/zinc/01/79/39/939017939.db2.gz ARGXROFVQDZOLU-UHFFFAOYSA-N 2 0 352.526 3.960 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCCSCC3)C3(C2)CCOCC3)cc1 ZINC000658023063 939019168 /nfs/dbraw/zinc/01/91/68/939019168.db2.gz IWVOLJKASZFJOQ-RTWAWAEBSA-N 2 0 374.594 3.791 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000548858731 939019384 /nfs/dbraw/zinc/01/93/84/939019384.db2.gz LQBWEGXOTIEGEY-UHFFFAOYSA-N 2 0 357.464 3.897 20 0 FHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658067936 939021580 /nfs/dbraw/zinc/02/15/80/939021580.db2.gz SJXVOPKUQMBXFK-ROUUACIJSA-N 2 0 360.542 3.668 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000658108660 939028522 /nfs/dbraw/zinc/02/85/22/939028522.db2.gz OUSJDLYSABXJHK-DLBZAZTESA-N 2 0 360.571 3.733 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000507400799 945221306 /nfs/dbraw/zinc/22/13/06/945221306.db2.gz KEONCCAZIAOWLD-INIZCTEOSA-N 2 0 355.295 3.897 20 0 FHADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137055 939030531 /nfs/dbraw/zinc/03/05/31/939030531.db2.gz IRBXXWOCLRFUOE-NQSCKRDGSA-N 2 0 350.506 3.900 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3c3ccc(F)cc3)cc2)C1 ZINC000658143486 939036685 /nfs/dbraw/zinc/03/66/85/939036685.db2.gz YVNCYRIJDKEAFD-ZLNRFVROSA-N 2 0 368.496 3.818 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143459 939036748 /nfs/dbraw/zinc/03/67/48/939036748.db2.gz YJUWEDRRAVZIAR-RXVVDRJESA-N 2 0 360.448 3.772 20 0 FHADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C[C@@H]1c1ccccc1 ZINC000658138057 939040490 /nfs/dbraw/zinc/04/04/90/939040490.db2.gz MKLJYORGODUKBW-KEIZBESESA-N 2 0 350.506 3.535 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658138055 939040579 /nfs/dbraw/zinc/04/05/79/939040579.db2.gz MJIFFCCTMWSULA-ZMVGRULKSA-N 2 0 350.506 3.535 20 0 FHADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccncc1 ZINC000658138190 939042245 /nfs/dbraw/zinc/04/22/45/939042245.db2.gz NBPVHTDGKWOCQJ-FGZHOGPDSA-N 2 0 353.510 3.525 20 0 FHADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)[C@H](C)C2 ZINC000658139390 939043547 /nfs/dbraw/zinc/04/35/47/939043547.db2.gz QDZBBALSNIRTIS-FRGLQRNOSA-N 2 0 350.506 3.585 20 0 FHADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000658164444 939052835 /nfs/dbraw/zinc/05/28/35/939052835.db2.gz DAJUBROWKAUHHN-OAHLLOKOSA-N 2 0 358.555 3.972 20 0 FHADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C12CCCC2 ZINC000658168752 939055583 /nfs/dbraw/zinc/05/55/83/939055583.db2.gz YKARQAARNWPPQT-SFTDATJTSA-N 2 0 357.542 3.621 20 0 FHADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000658212240 939065233 /nfs/dbraw/zinc/06/52/33/939065233.db2.gz JMYWYTOTBDGFJH-ILWGZMRPSA-N 2 0 364.537 3.688 20 0 FHADRP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319250 939109783 /nfs/dbraw/zinc/10/97/83/939109783.db2.gz YJTYRMXZXPDTHH-FXAWDEMLSA-N 2 0 350.510 3.738 20 0 FHADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC000658319728 939110326 /nfs/dbraw/zinc/11/03/26/939110326.db2.gz HJCWHZQCMWOAHE-UGKGYDQZSA-N 3 0 355.570 3.609 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000658355929 939124785 /nfs/dbraw/zinc/12/47/85/939124785.db2.gz LSIDIOPIIFUART-OAHLLOKOSA-N 2 0 355.526 3.689 20 0 FHADRP CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000472366512 939133939 /nfs/dbraw/zinc/13/39/39/939133939.db2.gz RNDRSPWZRHFIQR-GMAHTHKFSA-N 2 0 365.521 3.817 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132549994 939180169 /nfs/dbraw/zinc/18/01/69/939180169.db2.gz BWVCNZIWJOYPRM-QZTJIDSGSA-N 2 0 367.990 3.739 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507459707 945249371 /nfs/dbraw/zinc/24/93/71/945249371.db2.gz GUIRTORZJWAVHS-XXTHSBEZSA-N 3 0 357.586 3.997 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507459705 945249674 /nfs/dbraw/zinc/24/96/74/945249674.db2.gz GUIRTORZJWAVHS-KZKAQZJJSA-N 3 0 357.586 3.997 20 0 FHADRP FC(F)(F)CSCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507472092 945257536 /nfs/dbraw/zinc/25/75/36/945257536.db2.gz QHTAFLSTIOHJJF-BRWVUGGUSA-N 2 0 358.473 3.782 20 0 FHADRP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[NH+](C)C ZINC000310516250 939904412 /nfs/dbraw/zinc/90/44/12/939904412.db2.gz ZPHVGYWPPIMJHS-MSOLQXFVSA-N 2 0 355.567 3.876 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427319849 945282056 /nfs/dbraw/zinc/28/20/56/945282056.db2.gz JUMDECQGQOJNCL-AQNXPRMDSA-N 2 0 371.569 3.561 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@H]21 ZINC000375836173 939957593 /nfs/dbraw/zinc/95/75/93/939957593.db2.gz BJKWVRZFPTYKPA-JENIJYKNSA-N 2 0 356.539 3.600 20 0 FHADRP CCc1cccnc1[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000507503542 945285597 /nfs/dbraw/zinc/28/55/97/945285597.db2.gz AFYSRLXOEQZOPW-UGKGYDQZSA-N 2 0 366.553 3.673 20 0 FHADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000312991818 945311383 /nfs/dbraw/zinc/31/13/83/945311383.db2.gz XTDCFNMHQCUAFU-YADHBBJMSA-N 2 0 372.553 3.607 20 0 FHADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)c(C)n2n1 ZINC000376162184 940392192 /nfs/dbraw/zinc/39/21/92/940392192.db2.gz LNQOYLKWIXUTIZ-BPXKWBHBSA-N 2 0 363.509 3.690 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000376164786 940397854 /nfs/dbraw/zinc/39/78/54/940397854.db2.gz WTZLAVBFTYCEDU-BUKVSMQUSA-N 2 0 351.494 3.989 20 0 FHADRP Fc1ccc(C2=CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000376178931 940427391 /nfs/dbraw/zinc/42/73/91/940427391.db2.gz VUDYOPBEGSLNNF-DYESRHJHSA-N 2 0 358.501 3.852 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054394 940462296 /nfs/dbraw/zinc/46/22/96/940462296.db2.gz BLGUJSFYZBFBSU-FPOVZHCZSA-N 2 0 363.977 3.983 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000685850987 940465033 /nfs/dbraw/zinc/46/50/33/940465033.db2.gz XUHWLZYZNGZOQQ-YADHBBJMSA-N 2 0 370.537 3.695 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431749232 940469543 /nfs/dbraw/zinc/46/95/43/940469543.db2.gz BPQLWZNKIBPLDH-ZVDOUQERSA-N 2 0 359.558 3.554 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000431759676 940476537 /nfs/dbraw/zinc/47/65/37/940476537.db2.gz UXDDWRSPCLOMLV-JOCHJYFZSA-N 2 0 367.537 3.838 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431764030 940481723 /nfs/dbraw/zinc/48/17/23/940481723.db2.gz YKIPERPOPXEWJW-DENIHFKCSA-N 2 0 371.569 3.799 20 0 FHADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414086386 940491386 /nfs/dbraw/zinc/49/13/86/940491386.db2.gz ZOGCPYFGVFXZOB-GOSISDBHSA-N 2 0 353.510 3.523 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000163544363 940510710 /nfs/dbraw/zinc/51/07/10/940510710.db2.gz CQQQBLOAUKHQGO-KRWDZBQOSA-N 2 0 374.550 3.783 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115327 940603436 /nfs/dbraw/zinc/60/34/36/940603436.db2.gz MVAOURFIRIHBOK-PZJWPPBQSA-N 2 0 363.977 3.983 20 0 FHADRP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414125445 940626794 /nfs/dbraw/zinc/62/67/94/940626794.db2.gz QGBGLOLGQXIPQV-IBGZPJMESA-N 2 0 354.542 3.806 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000519360239 945337562 /nfs/dbraw/zinc/33/75/62/945337562.db2.gz TZCXBALEJKYICA-KDURUIRLSA-N 2 0 359.558 3.911 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414181175 940717805 /nfs/dbraw/zinc/71/78/05/940717805.db2.gz LTOSVCRBOQEOBF-OAHLLOKOSA-N 2 0 351.454 3.715 20 0 FHADRP CC(C)[NH+]1CCC(N[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174295525 940718333 /nfs/dbraw/zinc/71/83/33/940718333.db2.gz REDDBTNEJZAIEF-ZWKOTPCHSA-N 2 0 367.537 3.868 20 0 FHADRP COC1CC[NH+](C2(CNc3cc(C)[nH+]c4ccccc34)CCCC2)CC1 ZINC000519355237 945343985 /nfs/dbraw/zinc/34/39/85/945343985.db2.gz OUZLFCFDZXEHNY-UHFFFAOYSA-N 2 0 353.510 3.801 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000613491976 940771099 /nfs/dbraw/zinc/77/10/99/940771099.db2.gz FKYWYQSLZVOKLZ-HSZRJFAPSA-N 2 0 373.585 3.944 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3C3CC3)cc2)C1 ZINC000892574474 940816882 /nfs/dbraw/zinc/81/68/82/940816882.db2.gz KIQNAXHLPAKKSW-KRWDZBQOSA-N 2 0 352.526 3.819 20 0 FHADRP OC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000414290868 940901277 /nfs/dbraw/zinc/90/12/77/940901277.db2.gz NYDWXHBDISVRHW-ADHNFCLRSA-N 2 0 368.496 3.687 20 0 FHADRP OC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414303023 940921296 /nfs/dbraw/zinc/92/12/96/940921296.db2.gz LFTOMFHKXKIUAO-QFIPXVFZSA-N 2 0 368.496 3.820 20 0 FHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000660657797 945361507 /nfs/dbraw/zinc/36/15/07/945361507.db2.gz UKIBYJXGTGPIDL-SFHVURJKSA-N 2 0 370.324 3.740 20 0 FHADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423036228 940956614 /nfs/dbraw/zinc/95/66/14/940956614.db2.gz SSRYATJFUJKTPW-RDJZCZTQSA-N 2 0 350.304 3.723 20 0 FHADRP CC1CC[NH+](CCCNC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000161775086 940966445 /nfs/dbraw/zinc/96/64/45/940966445.db2.gz FXJQFCAZRZXXIX-UHFFFAOYSA-N 2 0 361.549 3.544 20 0 FHADRP CN(c1ccccc1C[NH2+]CCC[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000186287095 940974731 /nfs/dbraw/zinc/97/47/31/940974731.db2.gz QRQLXRYMODMYLQ-NRFANRHFSA-N 2 0 359.558 3.656 20 0 FHADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414325617 940976265 /nfs/dbraw/zinc/97/62/65/940976265.db2.gz MLRXJEJCPYFTPI-SFHVURJKSA-N 2 0 365.521 3.543 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCCCC1 ZINC000414328473 940979108 /nfs/dbraw/zinc/97/91/08/940979108.db2.gz ABRWXJTWSZIEET-GOSISDBHSA-N 2 0 371.569 3.832 20 0 FHADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414328766 940979780 /nfs/dbraw/zinc/97/97/80/940979780.db2.gz QBPOAXGYHZEJRV-FCHUYYIVSA-N 2 0 371.569 3.688 20 0 FHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cs1 ZINC000414334235 940989388 /nfs/dbraw/zinc/98/93/88/940989388.db2.gz GJPASWWACYZPPT-INIZCTEOSA-N 2 0 371.550 3.605 20 0 FHADRP CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335772 940998484 /nfs/dbraw/zinc/99/84/84/940998484.db2.gz YNNALXNYPKQAFB-UTKZUKDTSA-N 2 0 359.558 3.688 20 0 FHADRP CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335768 940998596 /nfs/dbraw/zinc/99/85/96/940998596.db2.gz YNNALXNYPKQAFB-DYESRHJHSA-N 2 0 359.558 3.688 20 0 FHADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC000186872975 941063307 /nfs/dbraw/zinc/06/33/07/941063307.db2.gz PJJXIVXJPHJWJO-UHFFFAOYSA-N 2 0 363.590 3.661 20 0 FHADRP c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543139 941065120 /nfs/dbraw/zinc/06/51/20/941065120.db2.gz HZZFCYMIKDCFFW-VQTJNVASSA-N 2 0 365.521 3.872 20 0 FHADRP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889239 941067540 /nfs/dbraw/zinc/06/75/40/941067540.db2.gz OWUOZYOOAPOBCY-FQEVSTJZSA-N 2 0 371.569 3.622 20 0 FHADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369528 941093172 /nfs/dbraw/zinc/09/31/72/941093172.db2.gz FAXLPJNDLZDRCY-WDSOQIARSA-N 2 0 364.493 3.834 20 0 FHADRP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123541593 941137082 /nfs/dbraw/zinc/13/70/82/941137082.db2.gz YHBTUJHTLINCIS-FQEVSTJZSA-N 2 0 362.558 3.604 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659288313 941149817 /nfs/dbraw/zinc/14/98/17/941149817.db2.gz FPHMCFONCHZEOO-FQEVSTJZSA-N 2 0 367.493 3.580 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000311300387 941226134 /nfs/dbraw/zinc/22/61/34/941226134.db2.gz HINLEXOHJFBEHT-WMZOPIPTSA-N 2 0 365.562 3.629 20 0 FHADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000178741919 941300330 /nfs/dbraw/zinc/30/03/30/941300330.db2.gz YNHKNBQDGJJLNU-JOCHJYFZSA-N 2 0 363.505 3.716 20 0 FHADRP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000311866926 941405925 /nfs/dbraw/zinc/40/59/25/941405925.db2.gz YMZGYVGBCSKKCE-QFIPXVFZSA-N 2 0 354.494 3.706 20 0 FHADRP Brc1ccc2nccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549142971 941521478 /nfs/dbraw/zinc/52/14/78/941521478.db2.gz RCHYDMVVXGDAKR-CQSZACIVSA-N 2 0 360.299 3.919 20 0 FHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000415020511 941545962 /nfs/dbraw/zinc/54/59/62/941545962.db2.gz GPTRLJNQWVMIKD-GPMSIDNRSA-N 2 0 366.933 3.753 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000415023993 941547316 /nfs/dbraw/zinc/54/73/16/941547316.db2.gz NVZJQBFOLLWDLY-INIZCTEOSA-N 2 0 352.457 3.895 20 0 FHADRP Cc1nc(COc2ccc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cc2)cs1 ZINC000415023092 941552109 /nfs/dbraw/zinc/55/21/09/941552109.db2.gz KKHXSODDGBWQPR-QAQDUYKDSA-N 2 0 359.539 3.885 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000415043387 941562092 /nfs/dbraw/zinc/56/20/92/941562092.db2.gz RVCBBKQXARHQGS-DLBZAZTESA-N 2 0 356.466 3.713 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000415050336 941565892 /nfs/dbraw/zinc/56/58/92/941565892.db2.gz YMSFZZPGYHDVQB-YRGRVCCFSA-N 2 0 370.337 3.776 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000415045920 941569383 /nfs/dbraw/zinc/56/93/83/941569383.db2.gz BZKVDOJNEWWVLY-QHCPKHFHSA-N 2 0 369.528 3.902 20 0 FHADRP c1ccc([C@@H]2CCCC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415057667 941570847 /nfs/dbraw/zinc/57/08/47/941570847.db2.gz RZLAFDANUOAQBD-TXHBJKIWSA-N 2 0 355.570 3.909 20 0 FHADRP c1cc(COc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)ccn1 ZINC000415059422 941571027 /nfs/dbraw/zinc/57/10/27/941571027.db2.gz WWLOURZPWBLDRR-IFMALSPDSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@]1(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000415085544 941590295 /nfs/dbraw/zinc/59/02/95/941590295.db2.gz QUHDPZLSZMVOEV-SFHVURJKSA-N 2 0 356.341 3.547 20 0 FHADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000415078638 941591039 /nfs/dbraw/zinc/59/10/39/941591039.db2.gz GSMREFYKYYNZRP-HUUCEWRRSA-N 2 0 370.368 3.936 20 0 FHADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OCc1ccncc1 ZINC000415082242 941592467 /nfs/dbraw/zinc/59/24/67/941592467.db2.gz CWTMTGNEAZYIRX-JENIJYKNSA-N 2 0 369.509 3.708 20 0 FHADRP COc1cccc([C@H]([NH2+]C2CCC([NH3+])CC2)c2cc(F)ccc2OC)c1 ZINC000415085792 941596289 /nfs/dbraw/zinc/59/62/89/941596289.db2.gz QXHWUCBBKZWWCU-BPZDKFOGSA-N 2 0 358.457 3.792 20 0 FHADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415088465 941597187 /nfs/dbraw/zinc/59/71/87/941597187.db2.gz MAYUEOIRUZAIPO-QAPCUYQASA-N 2 0 370.459 3.874 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)ccn2)cc1 ZINC000415112421 941607780 /nfs/dbraw/zinc/60/77/80/941607780.db2.gz RXDNQIRZIGTCRU-IRXDYDNUSA-N 2 0 355.482 3.750 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C(F)(F)F ZINC000415105672 941608101 /nfs/dbraw/zinc/60/81/01/941608101.db2.gz IPFQXBNVSNNZCU-ROUUACIJSA-N 2 0 356.432 3.732 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000415106721 941609282 /nfs/dbraw/zinc/60/92/82/941609282.db2.gz JUCKNXQOJBWQMC-QUCCMNQESA-N 2 0 359.901 3.607 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C(F)(F)F ZINC000415119538 941614979 /nfs/dbraw/zinc/61/49/79/941614979.db2.gz FPVVOEKOGAMRHU-FUHWJXTLSA-N 2 0 356.432 3.732 20 0 FHADRP Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415127395 941615761 /nfs/dbraw/zinc/61/57/61/941615761.db2.gz MWFRBGOUJPNUSF-OAQYLSRUSA-N 2 0 361.493 3.549 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000415122049 941618610 /nfs/dbraw/zinc/61/86/10/941618610.db2.gz JHDYMAAOSKUYNE-DENIHFKCSA-N 2 0 358.526 3.726 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC000415123177 941618684 /nfs/dbraw/zinc/61/86/84/941618684.db2.gz AFEAOKQOORXSKD-WOJBJXKFSA-N 2 0 351.538 3.762 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122816 941619054 /nfs/dbraw/zinc/61/90/54/941619054.db2.gz ISBPKYXSLJGHMX-LPHOPBHVSA-N 2 0 354.494 3.788 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124638 941620491 /nfs/dbraw/zinc/62/04/91/941620491.db2.gz MVQWNPUGAPKENF-DENIHFKCSA-N 2 0 358.526 3.726 20 0 FHADRP NC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415131907 941624483 /nfs/dbraw/zinc/62/44/83/941624483.db2.gz KEYMHOQYZWLLJF-GOTSBHOMSA-N 2 0 363.549 3.906 20 0 FHADRP CC(C)(C)c1nc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000415137915 941626384 /nfs/dbraw/zinc/62/63/84/941626384.db2.gz ULRCBCPNKYDHSB-UHFFFAOYSA-N 2 0 372.582 3.524 20 0 FHADRP CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770651 941732363 /nfs/dbraw/zinc/73/23/63/941732363.db2.gz MKBMZRDCZRWIBJ-BVSLBCMMSA-N 2 0 356.485 3.749 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415382725 941793076 /nfs/dbraw/zinc/79/30/76/941793076.db2.gz APJBIYJHLJZSOY-NRFANRHFSA-N 2 0 374.573 3.798 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+]CC(c2ccccc2)c2ccccc2)CCCO1 ZINC000513252662 941818897 /nfs/dbraw/zinc/81/88/97/941818897.db2.gz MTUYMLLNWDFAMH-HXUWFJFHSA-N 2 0 352.522 3.909 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000513330369 941856512 /nfs/dbraw/zinc/85/65/12/941856512.db2.gz KUUSQMMIWZUHLN-FUHWJXTLSA-N 2 0 350.576 3.602 20 0 FHADRP Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000433770760 941877526 /nfs/dbraw/zinc/87/75/26/941877526.db2.gz JAPUCYVKCGQVGR-AUUYWEPGSA-N 2 0 359.901 3.662 20 0 FHADRP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513408491 941902895 /nfs/dbraw/zinc/90/28/95/941902895.db2.gz NKOZPFBNPQQEQY-HOTGVXAUSA-N 2 0 361.496 3.646 20 0 FHADRP C[N@H+](Cc1csc(-c2ccccn2)n1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377705978 941915005 /nfs/dbraw/zinc/91/50/05/941915005.db2.gz SXQNXUROUIYOBN-UHFFFAOYSA-N 2 0 365.506 3.701 20 0 FHADRP COCCCOc1cccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000377710188 941920887 /nfs/dbraw/zinc/92/08/87/941920887.db2.gz WAOPGBPVGQPTGJ-UHFFFAOYSA-N 2 0 369.509 3.598 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659862942 941954162 /nfs/dbraw/zinc/95/41/62/941954162.db2.gz GDSMTEWHIOGCNR-SJBKTWHCSA-N 2 0 355.570 3.597 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000513523825 941995332 /nfs/dbraw/zinc/99/53/32/941995332.db2.gz CLECJKXUHNWDNS-UGKGYDQZSA-N 2 0 352.526 3.862 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000513545351 942005439 /nfs/dbraw/zinc/00/54/39/942005439.db2.gz PVBQHVWRMGQNQD-GHTZIAJQSA-N 2 0 366.505 3.848 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415781258 942048762 /nfs/dbraw/zinc/04/87/62/942048762.db2.gz CUCYDUWHEJZLIO-RTWAWAEBSA-N 2 0 366.509 3.619 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000414226730 942053054 /nfs/dbraw/zinc/05/30/54/942053054.db2.gz VAKBTKMIDFAPFW-GLYQVZKVSA-N 2 0 364.533 3.984 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513656722 942059234 /nfs/dbraw/zinc/05/92/34/942059234.db2.gz WVLBEKCVTXJXKA-JQFCIGGWSA-N 2 0 355.295 3.593 20 0 FHADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742149 942105744 /nfs/dbraw/zinc/10/57/44/942105744.db2.gz IRJLMWMDDVPSAJ-VCSGRIEYSA-N 2 0 355.526 3.922 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000415906720 942134446 /nfs/dbraw/zinc/13/44/46/942134446.db2.gz LKOBCVPZQMDZGX-NRFANRHFSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415916581 942142185 /nfs/dbraw/zinc/14/21/85/942142185.db2.gz HOGKEFBBWPXGMQ-HKUYNNGSSA-N 2 0 358.530 3.524 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000415920776 942148584 /nfs/dbraw/zinc/14/85/84/942148584.db2.gz PLDHHBQUBMTMFK-HXUWFJFHSA-N 2 0 358.530 3.715 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000415929887 942166145 /nfs/dbraw/zinc/16/61/45/942166145.db2.gz YZOQQBAUFDYECN-JOCHJYFZSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000415929612 942166598 /nfs/dbraw/zinc/16/65/98/942166598.db2.gz ILBGWTYVSLHMLX-IBGZPJMESA-N 2 0 374.916 3.874 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000415945951 942179091 /nfs/dbraw/zinc/17/90/91/942179091.db2.gz SGDNNDVQFAWGQU-FXAWDEMLSA-N 2 0 366.509 3.753 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000415959208 942190908 /nfs/dbraw/zinc/19/09/08/942190908.db2.gz SJNVJEINQLKXJG-QGZVFWFLSA-N 2 0 360.546 3.818 20 0 FHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415952630 942192569 /nfs/dbraw/zinc/19/25/69/942192569.db2.gz GAEHEMZWUNAFBO-HXUWFJFHSA-N 2 0 366.509 3.568 20 0 FHADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415952610 942192813 /nfs/dbraw/zinc/19/28/13/942192813.db2.gz GAEHEMZWUNAFBO-FQEVSTJZSA-N 2 0 366.509 3.568 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000415967296 942206538 /nfs/dbraw/zinc/20/65/38/942206538.db2.gz BCVSUMIZRCBLFF-LAUBAEHRSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415967257 942206653 /nfs/dbraw/zinc/20/66/53/942206653.db2.gz BHTTZTLYOJAGKH-UHFFFAOYSA-N 2 0 354.498 3.521 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000415960287 942207744 /nfs/dbraw/zinc/20/77/44/942207744.db2.gz UWUTWIIHSICKID-GOSISDBHSA-N 2 0 366.509 3.534 20 0 FHADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415974697 942227178 /nfs/dbraw/zinc/22/71/78/942227178.db2.gz RSPZPQNEJLRIKR-UHFFFAOYSA-N 2 0 372.435 3.502 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(C(C)(C)C)cc3C2)CC1 ZINC000501008638 942255802 /nfs/dbraw/zinc/25/58/02/942255802.db2.gz USQAAJPTSBPKEO-UHFFFAOYSA-N 2 0 357.586 3.758 20 0 FHADRP COc1ccc(OCCC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501057431 942281599 /nfs/dbraw/zinc/28/15/99/942281599.db2.gz YUEQFIHFKFRLHS-UHFFFAOYSA-N 2 0 369.509 3.708 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000501052885 942289546 /nfs/dbraw/zinc/28/95/46/942289546.db2.gz JOVCRILJWKICLY-UHFFFAOYSA-N 2 0 361.961 3.845 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000501110291 942302877 /nfs/dbraw/zinc/30/28/77/942302877.db2.gz JYEDXFZDKITMPX-BGYRXZFFSA-N 2 0 351.538 3.830 20 0 FHADRP C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180221345 942338831 /nfs/dbraw/zinc/33/88/31/942338831.db2.gz XCDJYIQXHAMNPK-MRLCAUJQSA-N 2 0 353.551 3.532 20 0 FHADRP C[NH+](C)C1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000421103305 942359198 /nfs/dbraw/zinc/35/91/98/942359198.db2.gz YUYPGQVSOUYYTE-UHFFFAOYSA-N 2 0 372.557 3.709 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000419813482 942406097 /nfs/dbraw/zinc/40/60/97/942406097.db2.gz GSSMAIQDPOXZLB-UHFFFAOYSA-N 2 0 372.944 3.554 20 0 FHADRP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000501400947 942460681 /nfs/dbraw/zinc/46/06/81/942460681.db2.gz RYRUXUCWJDSDIV-TXQCQQFXSA-N 2 0 369.475 3.582 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000501400945 942460715 /nfs/dbraw/zinc/46/07/15/942460715.db2.gz RYRUXUCWJDSDIV-NWNNTGRJSA-N 2 0 369.475 3.582 20 0 FHADRP CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513714029 942461429 /nfs/dbraw/zinc/46/14/29/942461429.db2.gz XBVDWLHZPIQLRU-UNWVZKJWSA-N 2 0 366.553 3.763 20 0 FHADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421366765 942517009 /nfs/dbraw/zinc/51/70/09/942517009.db2.gz CRHPUWDCKFYMNA-IUDNXUCKSA-N 2 0 367.921 3.528 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414835377 942519350 /nfs/dbraw/zinc/51/93/50/942519350.db2.gz ILIBSOVKTAPARL-QGZVFWFLSA-N 2 0 360.933 3.681 20 0 FHADRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000421378225 942527873 /nfs/dbraw/zinc/52/78/73/942527873.db2.gz UWWCLYFPQCWDGI-UHFFFAOYSA-N 2 0 367.940 3.906 20 0 FHADRP COC1([C@H](C)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000421402312 942533865 /nfs/dbraw/zinc/53/38/65/942533865.db2.gz MLJNCJXVVXJTFK-KRWDZBQOSA-N 2 0 354.579 3.839 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000513835417 942549360 /nfs/dbraw/zinc/54/93/60/942549360.db2.gz MTZQIXQFYDEPLX-UHFFFAOYSA-N 2 0 371.500 3.529 20 0 FHADRP FC(F)(F)c1ccc(-c2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000414839338 942550027 /nfs/dbraw/zinc/55/00/27/942550027.db2.gz WAQGQUYFJLZSIR-GFCCVEGCSA-N 2 0 355.429 3.918 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295875 942598222 /nfs/dbraw/zinc/59/82/22/942598222.db2.gz BBVZVIWWANSQGQ-UTKZUKDTSA-N 2 0 370.493 3.592 20 0 FHADRP O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420299458 942609713 /nfs/dbraw/zinc/60/97/13/942609713.db2.gz ISSAYNYJFQBATK-ZDUSSCGKSA-N 2 0 370.324 3.644 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000420300686 942609790 /nfs/dbraw/zinc/60/97/90/942609790.db2.gz KJBSOHGPMSBLFV-MJGOQNOKSA-N 2 0 356.535 3.852 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000420300426 942610367 /nfs/dbraw/zinc/61/03/67/942610367.db2.gz KJBSOHGPMSBLFV-HKUYNNGSSA-N 2 0 356.535 3.852 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321232 942621088 /nfs/dbraw/zinc/62/10/88/942621088.db2.gz QXUUHBKVUWJTMW-ROUUACIJSA-N 2 0 359.539 3.690 20 0 FHADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343660 942625487 /nfs/dbraw/zinc/62/54/87/942625487.db2.gz ZMSALMGCFGRGBU-SFHVURJKSA-N 2 0 356.466 3.574 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332013 942631444 /nfs/dbraw/zinc/63/14/44/942631444.db2.gz RDJFNCIOWMVSRZ-HUUCEWRRSA-N 2 0 358.507 3.509 20 0 FHADRP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420334451 942632504 /nfs/dbraw/zinc/63/25/04/942632504.db2.gz GJXPZVDUKOVJLY-RBUKOAKNSA-N 2 0 354.498 3.682 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000420372317 942644538 /nfs/dbraw/zinc/64/45/38/942644538.db2.gz FCGSGJCVJKWLRL-GGAORHGYSA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000420381376 942647190 /nfs/dbraw/zinc/64/71/90/942647190.db2.gz OXENJHRLLGQHRZ-DLBZAZTESA-N 2 0 373.324 3.591 20 0 FHADRP Cc1cc(OCC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C(C)C ZINC000420380764 942647375 /nfs/dbraw/zinc/64/73/75/942647375.db2.gz CEPURMNDAVFQTP-SIKLNZKXSA-N 2 0 360.542 3.716 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420381766 942647413 /nfs/dbraw/zinc/64/74/13/942647413.db2.gz PBVKFTXZFHLYPC-FSPWUOQZSA-N 2 0 367.331 3.728 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000420391038 942652960 /nfs/dbraw/zinc/65/29/60/942652960.db2.gz NSJGPIAMLNXTHC-TZIWHRDSSA-N 2 0 358.526 3.533 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397593 942654258 /nfs/dbraw/zinc/65/42/58/942654258.db2.gz XPDVBWUAHKEEFL-FSPWUOQZSA-N 2 0 367.331 3.728 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397591 942654463 /nfs/dbraw/zinc/65/44/63/942654463.db2.gz XPDVBWUAHKEEFL-BVGQSLNGSA-N 2 0 367.331 3.728 20 0 FHADRP COc1ccc(Br)cc1C[N@H+](C)CCCCn1ccnc1C ZINC000502701702 942669801 /nfs/dbraw/zinc/66/98/01/942669801.db2.gz KTJKMOZIHITUFU-UHFFFAOYSA-N 2 0 366.303 3.875 20 0 FHADRP CC1CC[NH+]([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000514085063 942735695 /nfs/dbraw/zinc/73/56/95/942735695.db2.gz SNHKZDYRIDIXHY-UAFMIMERSA-N 2 0 361.599 3.984 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H]4CCC[C@H]43)cc2)C1 ZINC000514090699 942741536 /nfs/dbraw/zinc/74/15/36/942741536.db2.gz WFJQPIPBNMGCCH-YJSIEXFISA-N 3 0 355.570 3.881 20 0 FHADRP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc(O)c2n1 ZINC000514114780 942754833 /nfs/dbraw/zinc/75/48/33/942754833.db2.gz KEADSDNCAOXCFQ-YLJYHZDGSA-N 2 0 351.494 3.698 20 0 FHADRP CN(c1ccccc1C[NH2+]CC(C)(C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000414552935 942828929 /nfs/dbraw/zinc/82/89/29/942828929.db2.gz DUKHEYUFFNVQPN-UHFFFAOYSA-N 2 0 366.553 3.679 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000421829514 942837232 /nfs/dbraw/zinc/83/72/32/942837232.db2.gz IEYQFHZRQQFMSF-LSDHHAIUSA-N 2 0 354.897 3.501 20 0 FHADRP COC1([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000421838201 942840303 /nfs/dbraw/zinc/84/03/03/942840303.db2.gz UWSBWTARXFTNNH-HXUWFJFHSA-N 2 0 374.569 3.995 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000421889587 942867395 /nfs/dbraw/zinc/86/73/95/942867395.db2.gz XMCAFQHNOKWKBV-IVMQYODDSA-N 2 0 356.514 3.523 20 0 FHADRP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000502960368 942877251 /nfs/dbraw/zinc/87/72/51/942877251.db2.gz NVSKEYHKQAPBPM-OTWHNJEPSA-N 2 0 374.573 3.678 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000502997610 942899885 /nfs/dbraw/zinc/89/98/85/942899885.db2.gz PFBLGBBZCXEICQ-GGAORHGYSA-N 2 0 350.506 3.537 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000502997611 942900028 /nfs/dbraw/zinc/90/00/28/942900028.db2.gz PFBLGBBZCXEICQ-JTHBVZDNSA-N 2 0 350.506 3.537 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378569169 942902044 /nfs/dbraw/zinc/90/20/44/942902044.db2.gz PQBFSIWDCPLLSK-SXLOBPIMSA-N 2 0 363.505 3.613 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F)C1CC[NH+](C)CC1 ZINC000430092980 942906265 /nfs/dbraw/zinc/90/62/65/942906265.db2.gz DIXLVAMWFOSYPJ-VQTJNVASSA-N 2 0 363.496 3.694 20 0 FHADRP Cc1nnc([C@H](C)[NH2+]CCCCCC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000273559224 942984894 /nfs/dbraw/zinc/98/48/94/942984894.db2.gz DBOKSDLRJJRKGD-RYUDHWBXSA-N 2 0 368.576 3.568 20 0 FHADRP Clc1cccc(Cl)c1CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425892201 943035158 /nfs/dbraw/zinc/03/51/58/943035158.db2.gz ANBDBVKYSHBJKA-UHFFFAOYSA-N 2 0 354.281 3.781 20 0 FHADRP COC1(C)CC[NH+](Cc2cccc(C[NH+]3CCC(C)(OC)CC3)c2)CC1 ZINC000271820238 943056484 /nfs/dbraw/zinc/05/64/84/943056484.db2.gz ZZQWGWHVGNIOMA-UHFFFAOYSA-N 2 0 360.542 3.688 20 0 FHADRP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000503271088 943092936 /nfs/dbraw/zinc/09/29/36/943092936.db2.gz VAQGPEIFLVXZAP-FQEVSTJZSA-N 2 0 372.557 3.568 20 0 FHADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414863728 943098733 /nfs/dbraw/zinc/09/87/33/943098733.db2.gz YBGATDSMYKVKGH-RDJZCZTQSA-N 2 0 360.523 3.813 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)c1 ZINC000414654730 943115981 /nfs/dbraw/zinc/11/59/81/943115981.db2.gz GMAOSIVRISXIRA-YCRPNKLZSA-N 2 0 356.466 3.665 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661878 943132851 /nfs/dbraw/zinc/13/28/51/943132851.db2.gz QOUCWSZIEINVNB-RDJZCZTQSA-N 2 0 360.523 3.895 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662287 943144663 /nfs/dbraw/zinc/14/46/63/943144663.db2.gz QXCFIYICPCNQHK-IEBWSBKVSA-N 2 0 354.542 3.788 20 0 FHADRP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272392768 943149179 /nfs/dbraw/zinc/14/91/79/943149179.db2.gz YFIASHPIRTXXAX-MJGOQNOKSA-N 2 0 370.566 3.612 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000416830750 943160107 /nfs/dbraw/zinc/16/01/07/943160107.db2.gz ALDYNNBXFURQQR-LAUBAEHRSA-N 2 0 368.525 3.589 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668703 943169294 /nfs/dbraw/zinc/16/92/94/943169294.db2.gz ZBJRQNPNNUZIMY-UKRRQHHQSA-N 2 0 360.420 3.586 20 0 FHADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCC(F)(F)F ZINC000414668705 943169614 /nfs/dbraw/zinc/16/96/14/943169614.db2.gz ZBJRQNPNNUZIMY-ZFWWWQNUSA-N 2 0 360.420 3.586 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSc1cccc(Cl)c1 ZINC000660116000 943209250 /nfs/dbraw/zinc/20/92/50/943209250.db2.gz GCDDGQOIFPHHLS-NXHRZFHOSA-N 2 0 354.947 3.616 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSc1cccc(Cl)c1 ZINC000660115999 943209494 /nfs/dbraw/zinc/20/94/94/943209494.db2.gz GCDDGQOIFPHHLS-NJAFHUGGSA-N 2 0 354.947 3.616 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000422696113 943234356 /nfs/dbraw/zinc/23/43/56/943234356.db2.gz QSMILSJQBHRLDM-OWCLPIDISA-N 2 0 354.441 3.697 20 0 FHADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000422707108 943241176 /nfs/dbraw/zinc/24/11/76/943241176.db2.gz GRDZUMJHGBQITF-PZJWPPBQSA-N 2 0 351.494 3.854 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000422706653 943241493 /nfs/dbraw/zinc/24/14/93/943241493.db2.gz FRSLSMMNSASFOQ-PXNSSMCTSA-N 2 0 355.457 3.685 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706846 943241508 /nfs/dbraw/zinc/24/15/08/943241508.db2.gz GEKBCOSVEMBFCM-UVUJQTEASA-N 2 0 371.569 3.733 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000422690786 943245599 /nfs/dbraw/zinc/24/55/99/943245599.db2.gz GWRVWJOIEQFWKC-ROUUACIJSA-N 2 0 355.482 3.880 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000422732723 943250223 /nfs/dbraw/zinc/25/02/23/943250223.db2.gz QFQHKTDKPKPRNR-OLZOCXBDSA-N 2 0 358.935 3.764 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422733920 943250775 /nfs/dbraw/zinc/25/07/75/943250775.db2.gz RZMNXNJGCJZBMX-SNVBAGLBSA-N 2 0 352.251 3.601 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1)c1ccco1 ZINC000422716158 943254709 /nfs/dbraw/zinc/25/47/09/943254709.db2.gz MZEQYSYVNUZWIV-IPMKNSEASA-N 2 0 353.466 3.542 20 0 FHADRP Fc1ccc2[nH]cc(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2c1 ZINC000422759985 943263107 /nfs/dbraw/zinc/26/31/07/943263107.db2.gz LIRCHKIAMFJGPN-IRLDBZIGSA-N 2 0 365.452 3.695 20 0 FHADRP c1ccc(C(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422758675 943263190 /nfs/dbraw/zinc/26/31/90/943263190.db2.gz OESBWLIDBOPVGU-XPWALMASSA-N 2 0 350.506 3.565 20 0 FHADRP Fc1ccc2[nH]cc(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c2c1 ZINC000422759987 943263254 /nfs/dbraw/zinc/26/32/54/943263254.db2.gz LIRCHKIAMFJGPN-UNMCSNQZSA-N 2 0 365.452 3.695 20 0 FHADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422744687 943268594 /nfs/dbraw/zinc/26/85/94/943268594.db2.gz WLWKMEFGXMJVIH-XJABCFGWSA-N 2 0 352.478 3.608 20 0 FHADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422744686 943268888 /nfs/dbraw/zinc/26/88/88/943268888.db2.gz WLWKMEFGXMJVIH-WEYGHZABSA-N 2 0 352.478 3.608 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000422743440 943269018 /nfs/dbraw/zinc/26/90/18/943269018.db2.gz IRHUJOYNUOGLIG-CYBMUJFWSA-N 2 0 374.326 3.994 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422766262 943274533 /nfs/dbraw/zinc/27/45/33/943274533.db2.gz LRMJQOKRWZTEKE-KNQAVFIVSA-N 2 0 352.453 3.703 20 0 FHADRP CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OCC ZINC000422767978 943275646 /nfs/dbraw/zinc/27/56/46/943275646.db2.gz SUXKYNZOKJWBJE-VAMGGRTRSA-N 2 0 360.542 3.927 20 0 FHADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422768801 943276004 /nfs/dbraw/zinc/27/60/04/943276004.db2.gz UYLKECMGERJJEP-TWKWOARYSA-N 2 0 369.475 3.676 20 0 FHADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783598 943281695 /nfs/dbraw/zinc/28/16/95/943281695.db2.gz OMBVYJRTJCLBRB-SAWYMBPVSA-N 2 0 352.478 3.992 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422785641 943282216 /nfs/dbraw/zinc/28/22/16/943282216.db2.gz NPRGGOAWZPDCJF-HTAPYJJXSA-N 2 0 371.956 3.853 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccsc1 ZINC000417001140 943283205 /nfs/dbraw/zinc/28/32/05/943283205.db2.gz DVMFIJYICKGJSM-KXBFYZLASA-N 2 0 374.554 3.650 20 0 FHADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422795494 943286608 /nfs/dbraw/zinc/28/66/08/943286608.db2.gz VSZVKKVMYKAXJH-ZNLUXHQJSA-N 2 0 352.478 3.608 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1F ZINC000422798133 943287740 /nfs/dbraw/zinc/28/77/40/943287740.db2.gz PVZORHFEFWQDJG-XWRIVVANSA-N 2 0 358.432 3.914 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422807664 943290102 /nfs/dbraw/zinc/29/01/02/943290102.db2.gz KAQZVNBXVPLHCV-SNVBAGLBSA-N 2 0 355.816 3.954 20 0 FHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000422810677 943291492 /nfs/dbraw/zinc/29/14/92/943291492.db2.gz UOADRVXULAVOBP-DILOTOHQSA-N 2 0 371.550 3.926 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422812611 943292482 /nfs/dbraw/zinc/29/24/82/943292482.db2.gz XXIXXJLCEDEACI-LVWPNOBMSA-N 2 0 365.477 3.552 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000422790173 943293261 /nfs/dbraw/zinc/29/32/61/943293261.db2.gz PFNUEBHMCDRMSB-HOTGVXAUSA-N 2 0 352.457 3.894 20 0 FHADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422814564 943293329 /nfs/dbraw/zinc/29/33/29/943293329.db2.gz VKWMFNHWQUHJOW-DQEVTTJGSA-N 2 0 370.459 3.946 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422791550 943294246 /nfs/dbraw/zinc/29/42/46/943294246.db2.gz QHSMYNOPSPMNOG-OAHLLOKOSA-N 2 0 363.509 3.561 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2ccccc2Br)CC1 ZINC000422790591 943294285 /nfs/dbraw/zinc/29/42/85/943294285.db2.gz VCIHNBVKQPKWHD-CYBMUJFWSA-N 2 0 374.326 3.994 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422791589 943294667 /nfs/dbraw/zinc/29/46/67/943294667.db2.gz QJAAGDUNNJJFQB-CEMLEFRQSA-N 2 0 352.526 3.559 20 0 FHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422823849 943296227 /nfs/dbraw/zinc/29/62/27/943296227.db2.gz MJOFUTCZICIDCK-PWRODBHTSA-N 2 0 372.534 3.670 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000422828504 943297990 /nfs/dbraw/zinc/29/79/90/943297990.db2.gz BELXCNCEGXWLCR-RDJZCZTQSA-N 2 0 350.503 3.503 20 0 FHADRP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)N2CCCC2)cc1 ZINC000422828586 943298334 /nfs/dbraw/zinc/29/83/34/943298334.db2.gz OIPICVJXLXQACQ-VGSWGCGISA-N 2 0 352.526 3.645 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000422836567 943301099 /nfs/dbraw/zinc/30/10/99/943301099.db2.gz KIUXCFMDMLEAIM-ZWOKBUDYSA-N 2 0 352.526 3.552 20 0 FHADRP CC(C)(C)c1ccc(C2([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)CCCC2)cc1 ZINC000414696835 943302734 /nfs/dbraw/zinc/30/27/34/943302734.db2.gz BMGJZDYRAHEUGI-GOSISDBHSA-N 2 0 371.569 3.540 20 0 FHADRP CC[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422817423 943303123 /nfs/dbraw/zinc/30/31/23/943303123.db2.gz HQCKARNHJSDWIJ-WVBUVRCRSA-N 2 0 370.468 3.829 20 0 FHADRP CC[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1F ZINC000422817422 943303519 /nfs/dbraw/zinc/30/35/19/943303519.db2.gz HQCKARNHJSDWIJ-PERKRYKHSA-N 2 0 370.468 3.829 20 0 FHADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422847537 943304053 /nfs/dbraw/zinc/30/40/53/943304053.db2.gz RQURBKIPQTVVHD-ATZDWAIDSA-N 2 0 364.480 3.523 20 0 FHADRP CC[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422851949 943305416 /nfs/dbraw/zinc/30/54/16/943305416.db2.gz PVNQMCMEPUILEP-AGHHOFFYSA-N 2 0 370.468 3.829 20 0 FHADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422864526 943310045 /nfs/dbraw/zinc/31/00/45/943310045.db2.gz NIAHALZUXSASDK-PCCBWWKXSA-N 2 0 360.542 3.811 20 0 FHADRP CCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422864586 943310289 /nfs/dbraw/zinc/31/02/89/943310289.db2.gz VNZYUGQTRXNIPW-RXVVDRJESA-N 2 0 356.441 3.570 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422878013 943314256 /nfs/dbraw/zinc/31/42/56/943314256.db2.gz IQFHRYSKGBIYCC-XHSDSOJGSA-N 2 0 357.473 3.783 20 0 FHADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C(F)(F)F)c1 ZINC000422877543 943314357 /nfs/dbraw/zinc/31/43/57/943314357.db2.gz IAGWJFNDUBWQDV-LLVKDONJSA-N 2 0 353.388 3.727 20 0 FHADRP CCC[C@@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000422881906 943315599 /nfs/dbraw/zinc/31/55/99/943315599.db2.gz ZOBPMRYBDDCQND-RDTXWAMCSA-N 2 0 368.468 3.717 20 0 FHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883113 943316193 /nfs/dbraw/zinc/31/61/93/943316193.db2.gz BOZMRBFBEJUWRG-IPJJNNNSSA-N 2 0 350.462 3.528 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888254 943318192 /nfs/dbraw/zinc/31/81/92/943318192.db2.gz CHKYKZHNKDZSTM-NHCUHLMSSA-N 2 0 353.510 3.642 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905704 943326558 /nfs/dbraw/zinc/32/65/58/943326558.db2.gz ITGVMIDSXJRJHH-NRCDOKTLSA-N 2 0 363.549 3.730 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCOCC1 ZINC000422906252 943326635 /nfs/dbraw/zinc/32/66/35/943326635.db2.gz UVHHGDUNDQEWCZ-CRAIPNDOSA-N 2 0 366.933 3.504 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906624 943327288 /nfs/dbraw/zinc/32/72/88/943327288.db2.gz VPPFTAIITCXJRF-NEPJUHHUSA-N 2 0 354.420 3.723 20 0 FHADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422911226 943328248 /nfs/dbraw/zinc/32/82/48/943328248.db2.gz KKJUMUFQEVVDAN-XPWALMASSA-N 3 0 371.569 3.562 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422893539 943330746 /nfs/dbraw/zinc/33/07/46/943330746.db2.gz ADOTVVOFXDWIQI-SFTDATJTSA-N 2 0 366.505 3.786 20 0 FHADRP Cc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422894610 943331354 /nfs/dbraw/zinc/33/13/54/943331354.db2.gz CMLRDZNCFVKGHB-BHDDXSALSA-N 2 0 356.554 3.944 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422923146 943331936 /nfs/dbraw/zinc/33/19/36/943331936.db2.gz RGRXJBHKQYKXPI-UONOGXRCSA-N 2 0 372.431 3.677 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCCCO2 ZINC000422926117 943334102 /nfs/dbraw/zinc/33/41/02/943334102.db2.gz CKVDUNDLZWEPJJ-USXIJHARSA-N 2 0 350.890 3.512 20 0 FHADRP FC(F)COc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422936418 943337490 /nfs/dbraw/zinc/33/74/90/943337490.db2.gz BPHOIAFHZOGWRI-GHTZIAJQSA-N 2 0 374.431 3.676 20 0 FHADRP Brc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422938062 943338311 /nfs/dbraw/zinc/33/83/11/943338311.db2.gz PEIUVZBKZXYFDR-IEBWSBKVSA-N 2 0 373.294 3.795 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000414705561 943339992 /nfs/dbraw/zinc/33/99/92/943339992.db2.gz FLRKXWROBXMZID-SJORKVTESA-N 2 0 358.530 3.652 20 0 FHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422947619 943346110 /nfs/dbraw/zinc/34/61/10/943346110.db2.gz QNIFUVBEHMTDDC-ZIFCJYIRSA-N 2 0 358.551 3.972 20 0 FHADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949516 943346977 /nfs/dbraw/zinc/34/69/77/943346977.db2.gz VKJWGKRYBXNZFU-SXWKCWPCSA-N 2 0 364.489 3.918 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000422952407 943347423 /nfs/dbraw/zinc/34/74/23/943347423.db2.gz AZKRFTAFFFWYIC-OAHLLOKOSA-N 2 0 350.466 3.517 20 0 FHADRP COc1cccc(C2([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422958110 943349571 /nfs/dbraw/zinc/34/95/71/943349571.db2.gz OPXIYNOQXMEKLA-CTNGQTDRSA-N 2 0 350.462 3.530 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422957469 943349913 /nfs/dbraw/zinc/34/99/13/943349913.db2.gz UGXONKUFPCIYJR-LPHOPBHVSA-N 2 0 366.534 3.686 20 0 FHADRP COc1cccc(C2([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)c1 ZINC000422958112 943350264 /nfs/dbraw/zinc/35/02/64/943350264.db2.gz OPXIYNOQXMEKLA-PZJWPPBQSA-N 2 0 350.462 3.530 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422960152 943350662 /nfs/dbraw/zinc/35/06/62/943350662.db2.gz VLIYLOIAIADGHF-PBHICJAKSA-N 2 0 362.905 3.833 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000514872434 943351975 /nfs/dbraw/zinc/35/19/75/943351975.db2.gz ZYMWTSJFTZDQCM-TZIWHRDSSA-N 2 0 371.569 3.517 20 0 FHADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422990580 943352792 /nfs/dbraw/zinc/35/27/92/943352792.db2.gz NUAGTEASHILKCH-NIKGAXFTSA-N 2 0 364.411 3.591 20 0 FHADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503745490 943352822 /nfs/dbraw/zinc/35/28/22/943352822.db2.gz ZWZSMVMZDYSXRX-ICSRJNTNSA-N 2 0 374.573 3.680 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422972055 943354775 /nfs/dbraw/zinc/35/47/75/943354775.db2.gz KLOZYUFIDXTJEJ-INIZCTEOSA-N 2 0 362.477 3.674 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)c1ccco1 ZINC000422978223 943356495 /nfs/dbraw/zinc/35/64/95/943356495.db2.gz YUNSERXFHNMSFP-SJBKTWHCSA-N 2 0 371.525 3.754 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000422977342 943356620 /nfs/dbraw/zinc/35/66/20/943356620.db2.gz JRUMIJLJPTXEDR-JKSUJKDBSA-N 2 0 356.514 3.908 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000435375909 943358159 /nfs/dbraw/zinc/35/81/59/943358159.db2.gz OVBKYJSNRNQGRM-CQSZACIVSA-N 2 0 366.431 3.509 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435377582 943358173 /nfs/dbraw/zinc/35/81/73/943358173.db2.gz DCVXQGOCQXEPGS-RHSMWYFYSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000435370817 943364068 /nfs/dbraw/zinc/36/40/68/943364068.db2.gz KFCFRZXENVNFSX-HOCLYGCPSA-N 2 0 357.885 3.761 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000423011177 943364244 /nfs/dbraw/zinc/36/42/44/943364244.db2.gz ANUWZLGZHNHHBK-DXCKQFNASA-N 2 0 357.325 3.757 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423012194 943364800 /nfs/dbraw/zinc/36/48/00/943364800.db2.gz KGDHFGSVQSNYID-JWNTYJGQSA-N 2 0 366.505 3.719 20 0 FHADRP CCN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423019153 943365710 /nfs/dbraw/zinc/36/57/10/943365710.db2.gz UEUXDSHISCSBED-NHADURIESA-N 2 0 353.913 3.722 20 0 FHADRP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423019109 943366003 /nfs/dbraw/zinc/36/60/03/943366003.db2.gz TZAWAJCFIUOMHA-MIOCFURKSA-N 2 0 355.320 3.632 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000423021156 943367195 /nfs/dbraw/zinc/36/71/95/943367195.db2.gz DNYBDNLYMQLMNH-IJXRJRJASA-N 2 0 360.542 3.783 20 0 FHADRP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423047205 943368338 /nfs/dbraw/zinc/36/83/38/943368338.db2.gz GTNCRMIIVDWLDA-FDFHNCONSA-N 2 0 368.521 3.874 20 0 FHADRP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1OCc1ccccn1 ZINC000435379199 943368326 /nfs/dbraw/zinc/36/83/26/943368326.db2.gz IBODWSBQBROLLI-RLAPIPATSA-N 2 0 365.521 3.992 20 0 FHADRP c1ccc(OCc2cccnc2)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000435380773 943369127 /nfs/dbraw/zinc/36/91/27/943369127.db2.gz PWNDPWWKEQNHHR-OAQYLSRUSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022896 943369895 /nfs/dbraw/zinc/36/98/95/943369895.db2.gz IMYLTRKAPRGFRW-JECZMYCTSA-N 2 0 353.913 3.592 20 0 FHADRP COc1ccc([C@@H](Nc2cc(C)cc(C[NH+](C)C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423025775 943370405 /nfs/dbraw/zinc/37/04/05/943370405.db2.gz MKXATIDCZOHBJP-FCHUYYIVSA-N 2 0 353.510 3.970 20 0 FHADRP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000511607399 943374851 /nfs/dbraw/zinc/37/48/51/943374851.db2.gz WEQYHKHLHJLTMY-ORWVVZFISA-N 2 0 372.553 3.594 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423057188 943376995 /nfs/dbraw/zinc/37/69/95/943376995.db2.gz ZLKZAPZRFXBFMX-RRQGHBQHSA-N 2 0 354.897 3.503 20 0 FHADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423072126 943381870 /nfs/dbraw/zinc/38/18/70/943381870.db2.gz PEYRWVKAGWKAHZ-LDZOIKDWSA-N 2 0 370.324 3.596 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423072220 943382232 /nfs/dbraw/zinc/38/22/32/943382232.db2.gz PLDSHMOHQKFIPX-FGTMMUONSA-N 2 0 370.459 3.730 20 0 FHADRP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050213 943383894 /nfs/dbraw/zinc/38/38/94/943383894.db2.gz YKEVNAYDGAMGFI-NNMXDRDESA-N 2 0 368.452 3.885 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000423081237 943386920 /nfs/dbraw/zinc/38/69/20/943386920.db2.gz USJSZEJTLLDGLZ-SXLOBPIMSA-N 2 0 358.526 3.624 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414716690 943389062 /nfs/dbraw/zinc/38/90/62/943389062.db2.gz SOWDVJIEKAJCNY-AEFFLSMTSA-N 2 0 358.530 3.700 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000435395978 943390180 /nfs/dbraw/zinc/39/01/80/943390180.db2.gz TVKRWMFXOKPIGZ-QGZVFWFLSA-N 2 0 352.526 3.784 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423090467 943391541 /nfs/dbraw/zinc/39/15/41/943391541.db2.gz XRDQLZXJNLJWEW-DVHLICQRSA-N 2 0 361.496 3.692 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)c2ccccc21 ZINC000423096495 943392771 /nfs/dbraw/zinc/39/27/71/943392771.db2.gz PBHAPCBNZICEDH-MSOLQXFVSA-N 2 0 350.384 3.905 20 0 FHADRP C[C@@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000423075604 943395121 /nfs/dbraw/zinc/39/51/21/943395121.db2.gz OXVXTSPELZOLJL-PAXLWEDBSA-N 2 0 372.896 3.953 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000423114370 943395766 /nfs/dbraw/zinc/39/57/66/943395766.db2.gz VJEAUEIOSOCGGL-KZULUSFZSA-N 2 0 368.308 3.930 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119736 943396984 /nfs/dbraw/zinc/39/69/84/943396984.db2.gz DMUOYWOEMLQZBS-WFASDCNBSA-N 2 0 350.304 3.580 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000423119734 943397218 /nfs/dbraw/zinc/39/72/18/943397218.db2.gz DMUOYWOEMLQZBS-IUODEOHRSA-N 2 0 350.304 3.580 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122570 943397937 /nfs/dbraw/zinc/39/79/37/943397937.db2.gz KAIPUXBCPBOAKT-KJJMTIBFSA-N 2 0 359.558 3.587 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1Cl ZINC000423106257 943401660 /nfs/dbraw/zinc/40/16/60/943401660.db2.gz RFIWZVJOHOLSDY-USJZOSNVSA-N 2 0 355.309 3.596 20 0 FHADRP CN(CCC(F)(F)F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423106759 943402594 /nfs/dbraw/zinc/40/25/94/943402594.db2.gz PDCKHEMEHSIGEP-BZUAXINKSA-N 2 0 363.855 3.735 20 0 FHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000503885224 943402949 /nfs/dbraw/zinc/40/29/49/943402949.db2.gz KPKDSWMFKBEERW-RHQZKXFESA-N 2 0 350.453 3.647 20 0 FHADRP COc1ccc([C@H](C)C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435425184 943404934 /nfs/dbraw/zinc/40/49/34/943404934.db2.gz CMGIKEKUNREWGN-NVXWUHKLSA-N 2 0 359.539 3.675 20 0 FHADRP COc1ccc([C@@H](C)C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435425183 943405018 /nfs/dbraw/zinc/40/50/18/943405018.db2.gz CMGIKEKUNREWGN-DOTOQJQBSA-N 2 0 359.539 3.675 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000414718969 943411076 /nfs/dbraw/zinc/41/10/76/943411076.db2.gz WYEYPDZVZGJYIE-MOPGFXCFSA-N 2 0 370.541 3.809 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3sc(Cl)cc32)CC[NH2+]CC1 ZINC000423137379 943415259 /nfs/dbraw/zinc/41/52/59/943415259.db2.gz WJBRBTVXLKSFOH-TZMCWYRMSA-N 2 0 370.946 3.690 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423138518 943415936 /nfs/dbraw/zinc/41/59/36/943415936.db2.gz TVLRKXDNCZWZKK-JXFKEZNVSA-N 2 0 370.566 3.602 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143551 943418573 /nfs/dbraw/zinc/41/85/73/943418573.db2.gz XFAVRNPRJAJURW-RXVVDRJESA-N 3 0 366.553 3.802 20 0 FHADRP [NH3+]CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000423181620 943429670 /nfs/dbraw/zinc/42/96/70/943429670.db2.gz GHNJFHPMVIFAQO-CYBMUJFWSA-N 2 0 366.328 3.888 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccc(F)cc2)CC1 ZINC000423208315 943431458 /nfs/dbraw/zinc/43/14/58/943431458.db2.gz HQTWMMCEWKTHNW-UGKGYDQZSA-N 3 0 361.549 3.968 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417223552 943439508 /nfs/dbraw/zinc/43/95/08/943439508.db2.gz SKORZMCRTHLDDW-WSTZPKSXSA-N 2 0 374.573 3.522 20 0 FHADRP c1cc(CN(Cc2cccc3c2OCO3)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000414725047 943452939 /nfs/dbraw/zinc/45/29/39/943452939.db2.gz UOODEPPQQDUGMQ-GOSISDBHSA-N 2 0 356.491 3.621 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423263432 943454776 /nfs/dbraw/zinc/45/47/76/943454776.db2.gz XGHGEHYNAMQALC-VXGBXAGGSA-N 2 0 364.383 3.930 20 0 FHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266554 943456111 /nfs/dbraw/zinc/45/61/11/943456111.db2.gz DHUPPXPNYAJWMX-QWRGUYRKSA-N 2 0 365.827 3.521 20 0 FHADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423256469 943460895 /nfs/dbraw/zinc/46/08/95/943460895.db2.gz FFTSRWLGDQTAJM-YQVWRLOYSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000423291569 943465449 /nfs/dbraw/zinc/46/54/49/943465449.db2.gz IWAIWRQBDIHPBS-ONGXBYRLSA-N 2 0 373.928 3.521 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2=CC[NH2+]CC2)CCC3)cc1 ZINC000423333976 943482711 /nfs/dbraw/zinc/48/27/11/943482711.db2.gz FJPDPNMNVWYDQU-QGZVFWFLSA-N 2 0 355.507 3.705 20 0 FHADRP COC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000423365312 943492566 /nfs/dbraw/zinc/49/25/66/943492566.db2.gz BCMTUPLKWNRJQI-SFHVURJKSA-N 2 0 350.384 3.786 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370838 943494594 /nfs/dbraw/zinc/49/45/94/943494594.db2.gz FYDUMOILJXBUCX-QGZVFWFLSA-N 2 0 361.258 3.969 20 0 FHADRP C[C@@H](C[NH3+])N[C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423383884 943497793 /nfs/dbraw/zinc/49/77/93/943497793.db2.gz FOKRNTABQJHDDW-SDBXPKJASA-N 2 0 362.109 3.526 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423386056 943498340 /nfs/dbraw/zinc/49/83/40/943498340.db2.gz LVXZAESFTBMAEL-QHCPKHFHSA-N 2 0 359.473 3.767 20 0 FHADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515089419 943498362 /nfs/dbraw/zinc/49/83/62/943498362.db2.gz HDUBSMAIXBXHLI-HXUWFJFHSA-N 2 0 372.557 3.521 20 0 FHADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423399710 943503212 /nfs/dbraw/zinc/50/32/12/943503212.db2.gz PVVPXZDNJBYAPY-FIKGOQFSSA-N 2 0 364.493 3.562 20 0 FHADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423419018 943504409 /nfs/dbraw/zinc/50/44/09/943504409.db2.gz IFLDEGLPKBFVOK-WOIUINJBSA-N 2 0 353.510 3.729 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423407821 943508664 /nfs/dbraw/zinc/50/86/64/943508664.db2.gz NIYMPQCGLZAMPB-HKUYNNGSSA-N 2 0 350.934 3.972 20 0 FHADRP COCC1(C[NH2+][C@H](C)c2cccc(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC000423408188 943509169 /nfs/dbraw/zinc/50/91/69/943509169.db2.gz ODZDNJFIAVJFJV-LJQANCHMSA-N 2 0 368.521 3.932 20 0 FHADRP COCC1(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC[NH2+]CC1 ZINC000423410703 943509697 /nfs/dbraw/zinc/50/96/97/943509697.db2.gz SMXGSYXYFFVOIQ-NRFANRHFSA-N 2 0 356.485 3.715 20 0 FHADRP COCC1(C[NH2+][C@H]2C[C@H](C)c3c2cccc3Br)CC[NH2+]CC1 ZINC000423412773 943510571 /nfs/dbraw/zinc/51/05/71/943510571.db2.gz XKWNUAYXCHOOCC-BBRMVZONSA-N 2 0 367.331 3.603 20 0 FHADRP C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cccc(OCC[NH+](C)C)c1 ZINC000423436667 943519302 /nfs/dbraw/zinc/51/93/02/943519302.db2.gz FNMQGTQZPFIIIP-KRWDZBQOSA-N 2 0 353.510 3.836 20 0 FHADRP COc1cccc(CCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435630984 943528194 /nfs/dbraw/zinc/52/81/94/943528194.db2.gz ZFLAKKHUCGXGRX-OAQYLSRUSA-N 2 0 353.510 3.667 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1csc(-c2ccccc2)n1 ZINC000423500377 943529521 /nfs/dbraw/zinc/52/95/21/943529521.db2.gz ACUBQPWEJOEEAU-IVMQYODDSA-N 2 0 370.566 3.677 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1(c2ccccc2)CCCC1 ZINC000423499890 943529767 /nfs/dbraw/zinc/52/97/67/943529767.db2.gz BOFVFJMQDMQEQJ-KPQWGBOZSA-N 2 0 355.570 3.693 20 0 FHADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)sc1Cl ZINC000423503750 943530961 /nfs/dbraw/zinc/53/09/61/943530961.db2.gz FZXRHAIPXNTUPF-HIFPTAJRSA-N 2 0 362.370 3.922 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000423494041 943537103 /nfs/dbraw/zinc/53/71/03/943537103.db2.gz CPYLDSXOWCJTHB-XWIAVFTESA-N 2 0 367.331 3.634 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528676 943537900 /nfs/dbraw/zinc/53/79/00/943537900.db2.gz NPQUILUWZHTGTR-PIPMEXSNSA-N 2 0 365.521 3.872 20 0 FHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528438 943538455 /nfs/dbraw/zinc/53/84/55/943538455.db2.gz ODMAFCJXLNWHNH-NPYWFKPBSA-N 2 0 353.554 3.565 20 0 FHADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(-n2ccnc2)cc1 ZINC000423533003 943539931 /nfs/dbraw/zinc/53/99/31/943539931.db2.gz WGVRUTNNRYBQIJ-HVLZBCLKSA-N 2 0 350.510 3.677 20 0 FHADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423511806 943541220 /nfs/dbraw/zinc/54/12/20/943541220.db2.gz PFARNCXMTLHEID-MAKTXDPSSA-N 2 0 361.961 3.782 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c2ccccc21 ZINC000423514167 943542454 /nfs/dbraw/zinc/54/24/54/943542454.db2.gz SJBZOJRUCMSWIF-AOCRQIFASA-N 2 0 355.501 3.846 20 0 FHADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423516061 943543477 /nfs/dbraw/zinc/54/34/77/943543477.db2.gz ANPPKSMFXWTTJK-OTJAJBDVSA-N 2 0 372.553 3.939 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423522224 943545663 /nfs/dbraw/zinc/54/56/63/943545663.db2.gz UFIBUZBWJKKYSE-KNXWPPODSA-N 2 0 372.582 3.594 20 0 FHADRP Clc1ccc([C@H](CC2CC2)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423524864 943546591 /nfs/dbraw/zinc/54/65/91/943546591.db2.gz XKEFVUKYXBAJDU-CBNMVNINSA-N 2 0 361.961 3.987 20 0 FHADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000423526675 943547369 /nfs/dbraw/zinc/54/73/69/943547369.db2.gz ZVXILLRNSIUVPK-UARRHKHWSA-N 3 0 363.549 3.967 20 0 FHADRP Fc1cc(Br)ccc1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1CC1 ZINC000423536907 943550152 /nfs/dbraw/zinc/55/01/52/943550152.db2.gz IOOUAKDQYFIIGJ-KRWDZBQOSA-N 2 0 353.279 3.939 20 0 FHADRP CC[NH2+]Cc1cccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000414872460 943550929 /nfs/dbraw/zinc/55/09/29/943550929.db2.gz VHUBASFPKPWXNW-UHFFFAOYSA-N 2 0 366.553 3.939 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCS2 ZINC000423538909 943551186 /nfs/dbraw/zinc/55/11/86/943551186.db2.gz OCSKNQZSFDLARD-HNNXBMFYSA-N 2 0 353.329 3.885 20 0 FHADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423548269 943554330 /nfs/dbraw/zinc/55/43/30/943554330.db2.gz MKBNGCFRIOCOBO-LGSVPQMISA-N 2 0 353.279 3.553 20 0 FHADRP NC1(C[NH2+][C@@H]2CCSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423577728 943561274 /nfs/dbraw/zinc/56/12/74/943561274.db2.gz SOZLCWKKTMTTRG-HXUWFJFHSA-N 2 0 367.562 3.807 20 0 FHADRP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000423577908 943561455 /nfs/dbraw/zinc/56/14/55/943561455.db2.gz SZNLVYKZHWWGBQ-MRXNPFEDSA-N 2 0 359.464 3.609 20 0 FHADRP [NH3+]C1(CN[C@H]2CCc3c2c(F)ccc3F)CC[NH+](Cc2ccccc2)CC1 ZINC000423578171 943562171 /nfs/dbraw/zinc/56/21/71/943562171.db2.gz UASKEFGGQPEWHM-FQEVSTJZSA-N 2 0 371.475 3.535 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1-n1cncn1 ZINC000093016550 943609283 /nfs/dbraw/zinc/60/92/83/943609283.db2.gz GKSCOWOXHPQRSB-OAQYLSRUSA-N 2 0 367.541 3.664 20 0 FHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000423967903 943651585 /nfs/dbraw/zinc/65/15/85/943651585.db2.gz TVCPHPGIEHRHAV-QFIPXVFZSA-N 2 0 365.521 3.566 20 0 FHADRP CC1CC[NH+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424128546 943746122 /nfs/dbraw/zinc/74/61/22/943746122.db2.gz FPSQIBOOOCXCPS-HXUWFJFHSA-N 2 0 351.579 3.693 20 0 FHADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)CC1CCCCC1 ZINC000424165142 943770588 /nfs/dbraw/zinc/77/05/88/943770588.db2.gz DNSHZHHMFIWULS-FQEVSTJZSA-N 2 0 363.590 3.835 20 0 FHADRP C[C@H]1CN(Cc2oc3ccccc3c2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000638137323 943773123 /nfs/dbraw/zinc/77/31/23/943773123.db2.gz IKWFOKHPBIHUNH-DOTOQJQBSA-N 2 0 361.917 3.544 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256700 943804864 /nfs/dbraw/zinc/80/48/64/943804864.db2.gz NRSYLGNXAWIHGL-FHWLQOOXSA-N 2 0 363.590 3.514 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414904696 943806186 /nfs/dbraw/zinc/80/61/86/943806186.db2.gz KKWDLBRPKBSEJS-YDPYFZECSA-N 2 0 354.538 3.816 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000515373982 943818192 /nfs/dbraw/zinc/81/81/92/943818192.db2.gz NSZTZFRZQYKFRB-WIYYLYMNSA-N 2 0 372.557 3.695 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000424274754 943831329 /nfs/dbraw/zinc/83/13/29/943831329.db2.gz ZJRYYLAIEPOIFO-AGXSTUJCSA-N 2 0 358.526 3.596 20 0 FHADRP CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000515387962 943832298 /nfs/dbraw/zinc/83/22/98/943832298.db2.gz NEEVBRIYVGUJSB-UHFFFAOYSA-N 2 0 353.510 3.885 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000424278319 943833058 /nfs/dbraw/zinc/83/30/58/943833058.db2.gz IGSCIHBITATUJB-QAPCUYQASA-N 2 0 374.912 3.766 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@H](CC[NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000417706230 943842019 /nfs/dbraw/zinc/84/20/19/943842019.db2.gz OSKVIQUUPWUBSY-RTBURBONSA-N 2 0 374.573 3.666 20 0 FHADRP [NH3+]C[C@@H](C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1 ZINC000424303677 943850920 /nfs/dbraw/zinc/85/09/20/943850920.db2.gz OPLOLQJSRCLDRH-KRWDZBQOSA-N 2 0 352.457 3.624 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)C[C@H](C)O1 ZINC000424306231 943852932 /nfs/dbraw/zinc/85/29/32/943852932.db2.gz USOSHOLRBXGFFT-NSHGMRRFSA-N 2 0 373.566 3.906 20 0 FHADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000660277007 943859300 /nfs/dbraw/zinc/85/93/00/943859300.db2.gz UDWGEERONFLBTK-FYYLOGMGSA-N 2 0 369.597 3.920 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000516975148 943876141 /nfs/dbraw/zinc/87/61/41/943876141.db2.gz OYADMLQKNDEKIC-AUSIDOKSSA-N 3 0 351.538 3.891 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424383331 943892198 /nfs/dbraw/zinc/89/21/98/943892198.db2.gz UEHBNFCGLCBJPJ-KRWDZBQOSA-N 2 0 352.526 3.512 20 0 FHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786072 943904866 /nfs/dbraw/zinc/90/48/66/943904866.db2.gz WOZUOKNLPGYSOU-CYBMUJFWSA-N 2 0 363.299 3.711 20 0 FHADRP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414786153 943905616 /nfs/dbraw/zinc/90/56/16/943905616.db2.gz UEPDFOZYRBBYOB-UXHICEINSA-N 2 0 350.510 3.671 20 0 FHADRP COC(=O)[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431993 943908406 /nfs/dbraw/zinc/90/84/06/943908406.db2.gz JKJSRQFFIZSCHT-FBBABVLZSA-N 2 0 358.526 3.576 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000424426858 943922489 /nfs/dbraw/zinc/92/24/89/943922489.db2.gz BALOUKPRSFVSOG-INIZCTEOSA-N 2 0 354.498 3.705 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789235 943931218 /nfs/dbraw/zinc/93/12/18/943931218.db2.gz YDRJZFNWJKDFDE-RBUKOAKNSA-N 2 0 352.526 3.817 20 0 FHADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414909329 943947725 /nfs/dbraw/zinc/94/77/25/943947725.db2.gz ROEMJAKUIVCJKN-UHFFFAOYSA-N 2 0 354.494 3.754 20 0 FHADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000505086833 944028071 /nfs/dbraw/zinc/02/80/71/944028071.db2.gz YAGPUPIRBIXZRL-GRERDSQWSA-N 2 0 361.574 3.553 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)cc1 ZINC000414813580 944097411 /nfs/dbraw/zinc/09/74/11/944097411.db2.gz UASUTZKBPMNVBW-GFCCVEGCSA-N 2 0 362.399 3.902 20 0 FHADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OCc1cccs1 ZINC000414814968 944121938 /nfs/dbraw/zinc/12/19/38/944121938.db2.gz ZQAKBCGYHJFVNK-WMZOPIPTSA-N 2 0 360.523 3.943 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414818118 944139057 /nfs/dbraw/zinc/13/90/57/944139057.db2.gz UUOJIMNYLAYSSX-CVEARBPZSA-N 2 0 373.928 3.887 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)(N2CCCCC2)CC1 ZINC000436236741 944140378 /nfs/dbraw/zinc/14/03/78/944140378.db2.gz FAKMUNXDGKBTIG-FGZHOGPDSA-N 2 0 355.570 3.863 20 0 FHADRP C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000651469512 944145460 /nfs/dbraw/zinc/14/54/60/944145460.db2.gz PYIXRJJPZPMJDB-NXVRBGIVSA-N 2 0 356.457 3.828 20 0 FHADRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364249678 944154079 /nfs/dbraw/zinc/15/40/79/944154079.db2.gz HMJNACQWGKEKIW-FXAWDEMLSA-N 2 0 368.529 3.563 20 0 FHADRP CN(c1ccccc1C[NH2+][C@H]1COCc2ccccc21)C1CC[NH+](C)CC1 ZINC000418102146 944158094 /nfs/dbraw/zinc/15/80/94/944158094.db2.gz HFJOXDUFMNDVSI-QFIPXVFZSA-N 2 0 365.521 3.578 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000436285258 944163980 /nfs/dbraw/zinc/16/39/80/944163980.db2.gz DBSWQNDNRAFYBI-HDICACEKSA-N 2 0 353.510 3.858 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cn1 ZINC000436291022 944177618 /nfs/dbraw/zinc/17/76/18/944177618.db2.gz PHTJNJMBULXDLN-ROUUACIJSA-N 2 0 353.510 3.858 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000436293831 944180400 /nfs/dbraw/zinc/18/04/00/944180400.db2.gz FKBQRJSWICTTMQ-UHFFFAOYSA-N 2 0 372.532 3.918 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1C ZINC000436296661 944181170 /nfs/dbraw/zinc/18/11/70/944181170.db2.gz SGHABJGARPSJSR-RAUXBKROSA-N 2 0 350.547 3.741 20 0 FHADRP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515755667 944183145 /nfs/dbraw/zinc/18/31/45/944183145.db2.gz YORQWGIAYPRPPY-MOPGFXCFSA-N 2 0 359.558 3.701 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(SC)cc2)[C@@H](C)C1 ZINC000436302538 944186589 /nfs/dbraw/zinc/18/65/89/944186589.db2.gz AYONEOMBDLSUHB-PXNSSMCTSA-N 2 0 350.572 3.678 20 0 FHADRP C[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C[NH+](C)C ZINC000425923965 944189301 /nfs/dbraw/zinc/18/93/01/944189301.db2.gz OXWJHQWQMQUHEV-KBXCAEBGSA-N 2 0 369.347 3.704 20 0 FHADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414916690 944196754 /nfs/dbraw/zinc/19/67/54/944196754.db2.gz OURGCSUMMBWHJP-FQEVSTJZSA-N 2 0 364.468 3.910 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OCc1ccccc1 ZINC000414973872 944236304 /nfs/dbraw/zinc/23/63/04/944236304.db2.gz NBEJNMAHTLQMGC-OAQYLSRUSA-N 2 0 354.494 3.752 20 0 FHADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414919115 944240633 /nfs/dbraw/zinc/24/06/33/944240633.db2.gz WBKISCCHJABXNH-JOCHJYFZSA-N 2 0 354.494 3.850 20 0 FHADRP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414974564 944252761 /nfs/dbraw/zinc/25/27/61/944252761.db2.gz NRWLGNZGOFMNEW-MSOLQXFVSA-N 2 0 352.906 3.520 20 0 FHADRP O=C1O[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CN1c1ccccc1 ZINC000178918840 944256699 /nfs/dbraw/zinc/25/66/99/944256699.db2.gz KZXHQJQSVRVFRR-NRFANRHFSA-N 2 0 371.525 3.600 20 0 FHADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000515838433 944256879 /nfs/dbraw/zinc/25/68/79/944256879.db2.gz WZVPQYMRMZVLJH-SFTDATJTSA-N 2 0 357.542 3.586 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(OC(C)C)cc2)CC[NH2+]CC1 ZINC000414975331 944264184 /nfs/dbraw/zinc/26/41/84/944264184.db2.gz NWTYNEDTJKDVRU-RTWAWAEBSA-N 2 0 360.542 3.716 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000517405305 944274579 /nfs/dbraw/zinc/27/45/79/944274579.db2.gz HXQQIBHVTVHQFF-RTWAWAEBSA-N 2 0 357.542 3.546 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC000436398110 944275064 /nfs/dbraw/zinc/27/50/64/944275064.db2.gz CEMXBHRYHPWBER-FQEVSTJZSA-N 2 0 369.484 3.581 20 0 FHADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2ccccc2)cc1OC ZINC000414977759 944295243 /nfs/dbraw/zinc/29/52/43/944295243.db2.gz RRUFUNRARVMYNS-IBGZPJMESA-N 2 0 354.494 3.993 20 0 FHADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000518338229 944296102 /nfs/dbraw/zinc/29/61/02/944296102.db2.gz FVTUVECMYFMNQL-UHFFFAOYSA-N 2 0 369.509 3.721 20 0 FHADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cn(C)c2cc(C)ccc12 ZINC000436411234 944300356 /nfs/dbraw/zinc/30/03/56/944300356.db2.gz KWKOZYAVELPEDT-UHFFFAOYSA-N 2 0 359.477 3.708 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438094170 944331992 /nfs/dbraw/zinc/33/19/92/944331992.db2.gz JUTLZBDHTRVMKM-ZEQRLZLVSA-N 2 0 369.597 3.987 20 0 FHADRP Cc1ccccc1C[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167975877 944374123 /nfs/dbraw/zinc/37/41/23/944374123.db2.gz YQCCMLJPOXHWCN-MBJRSGMTSA-N 2 0 353.554 3.564 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCNc1cc(Br)cc2c[nH+]cn21 ZINC001167755052 944387219 /nfs/dbraw/zinc/38/72/19/944387219.db2.gz ZJNFKZQFHFBIQT-ZDUSSCGKSA-N 2 0 351.292 3.773 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC3)cc1 ZINC000425955004 944391794 /nfs/dbraw/zinc/39/17/94/944391794.db2.gz XWYNCCONUUFXGB-WMLDXEAASA-N 2 0 359.539 3.983 20 0 FHADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)C2)CC1 ZINC000550200264 944418500 /nfs/dbraw/zinc/41/85/00/944418500.db2.gz CPAPNBNOEJKZJR-QGZVFWFLSA-N 2 0 356.432 3.791 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000438219283 944422245 /nfs/dbraw/zinc/42/22/45/944422245.db2.gz LEGYOMGKTJPHOP-UHFFFAOYSA-N 2 0 350.865 3.752 20 0 FHADRP COc1cc2c(cc1OC)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167978137 944435102 /nfs/dbraw/zinc/43/51/02/944435102.db2.gz KMQPWWJJCMSKQL-WVVQBRDUSA-N 2 0 370.537 3.556 20 0 FHADRP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1O ZINC000426350640 944527086 /nfs/dbraw/zinc/52/70/86/944527086.db2.gz GGSALQMBIBDMGN-QGZVFWFLSA-N 2 0 360.542 3.966 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694503 944553499 /nfs/dbraw/zinc/55/34/99/944553499.db2.gz JTPZGUIUDIFJFY-XJABCFGWSA-N 2 0 361.493 3.611 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414997505 944583916 /nfs/dbraw/zinc/58/39/16/944583916.db2.gz HKCIWKLMOOORFJ-UKRRQHHQSA-N 2 0 360.420 3.634 20 0 FHADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414997510 944584147 /nfs/dbraw/zinc/58/41/47/944584147.db2.gz HKCIWKLMOOORFJ-ZFWWWQNUSA-N 2 0 360.420 3.634 20 0 FHADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000418459499 944642529 /nfs/dbraw/zinc/64/25/29/944642529.db2.gz IXTPBDXFXAORIK-GOSISDBHSA-N 2 0 372.557 3.504 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C3(C2)CCOCC3)cc1 ZINC000550270241 944649132 /nfs/dbraw/zinc/64/91/32/944649132.db2.gz KJWSUSWKMLNTPU-IFMALSPDSA-N 2 0 354.538 3.861 20 0 FHADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000759870681 944652834 /nfs/dbraw/zinc/65/28/34/944652834.db2.gz YJPNRTJMFNHPFX-OHNRDTAOSA-N 2 0 354.897 3.755 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000506868820 944683673 /nfs/dbraw/zinc/68/36/73/944683673.db2.gz UXCJMPCZHSEDKY-UHFFFAOYSA-N 2 0 356.457 3.850 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000506867968 944685552 /nfs/dbraw/zinc/68/55/52/944685552.db2.gz PNXBWUJMBQZLAR-UHFFFAOYSA-N 2 0 356.457 3.850 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000506875260 944712363 /nfs/dbraw/zinc/71/23/63/944712363.db2.gz MQPJXOCZSORNKI-UHFFFAOYSA-N 2 0 364.530 3.656 20 0 FHADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000162742604 944722384 /nfs/dbraw/zinc/72/23/84/944722384.db2.gz JJXYFBSGLBWNJK-GOSISDBHSA-N 2 0 367.493 3.816 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000438572762 944789694 /nfs/dbraw/zinc/78/96/94/944789694.db2.gz GKYGZVWRVWOCHG-OALUTQOASA-N 2 0 363.571 3.654 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000426066449 944801795 /nfs/dbraw/zinc/80/17/95/944801795.db2.gz JXVVBMSDFDSUBU-AEFFLSMTSA-N 2 0 363.512 3.893 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195175128 944819314 /nfs/dbraw/zinc/81/93/14/944819314.db2.gz KYVIMWPGPHDIKW-OAQYLSRUSA-N 2 0 367.578 3.687 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000511671690 944898422 /nfs/dbraw/zinc/89/84/22/944898422.db2.gz HNIHPAMGISACEW-SFHVURJKSA-N 2 0 371.569 3.911 20 0 FHADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000415004906 944993169 /nfs/dbraw/zinc/99/31/69/944993169.db2.gz AIPZWEUJFGXVLX-JHJVBQTASA-N 2 0 351.288 3.695 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000437079937 944997580 /nfs/dbraw/zinc/99/75/80/944997580.db2.gz VBHQQUFRPOXAQU-FOIQADDNSA-N 2 0 358.457 3.941 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CC1 ZINC000437084527 945001552 /nfs/dbraw/zinc/00/15/52/945001552.db2.gz BJOSOXYOPHMUGI-DXIQSLLYSA-N 2 0 355.570 3.928 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)o1 ZINC000414946985 945003688 /nfs/dbraw/zinc/00/36/88/945003688.db2.gz KEUBIKIXSWMWGN-CRAIPNDOSA-N 2 0 350.466 3.671 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001206 945015932 /nfs/dbraw/zinc/01/59/32/945015932.db2.gz SZLWCYYAONPDCQ-PBASOCQRSA-N 2 0 361.574 3.553 20 0 FHADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000437101226 945020300 /nfs/dbraw/zinc/02/03/00/945020300.db2.gz YNQRWEVSVREIQI-RBUKOAKNSA-N 2 0 367.537 3.586 20 0 FHADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000519594909 945045285 /nfs/dbraw/zinc/04/52/85/945045285.db2.gz FKYHLZXJSSDODG-IBGZPJMESA-N 2 0 372.475 3.711 20 0 FHADRP Fc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167965425 945063006 /nfs/dbraw/zinc/06/30/06/945063006.db2.gz FDYIACKWQQTTAK-NOTZXAQLSA-N 2 0 371.544 3.785 20 0 FHADRP [NH3+]CCc1cn(-c2ccc(F)c(C[NH+]3CCCC3)c2)c2ccc(O)cc12 ZINC001167986609 945411026 /nfs/dbraw/zinc/41/10/26/945411026.db2.gz BQFBCYZOAJOYRD-UHFFFAOYSA-N 2 0 353.441 3.572 20 0 FHADRP CCO[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](OCC)[C@H](C)C3)CCC2)C[C@@H]1C ZINC000660719266 945420684 /nfs/dbraw/zinc/42/06/84/945420684.db2.gz BCVKYVDWXMHYRV-UJOPUZHASA-N 2 0 366.590 3.651 20 0 FHADRP [NH3+]CCc1cn(-c2ccc(SC3CC[NH2+]CC3)cc2)c2ccc(O)cc12 ZINC001167987267 945505516 /nfs/dbraw/zinc/50/55/16/945505516.db2.gz KSJJYJNANHIWIA-UHFFFAOYSA-N 2 0 367.518 3.681 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc3n2CCCCC3)CC1 ZINC000281122189 945523727 /nfs/dbraw/zinc/52/37/27/945523727.db2.gz XPKWXNZZEJRLAZ-UHFFFAOYSA-N 2 0 367.541 3.537 20 0 FHADRP COc1cc(F)c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000651687455 945660772 /nfs/dbraw/zinc/66/07/72/945660772.db2.gz CYXQQUANUZTKPT-UHFFFAOYSA-N 2 0 372.484 3.845 20 0 FHADRP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)c2)cc1 ZINC000415127430 945691094 /nfs/dbraw/zinc/69/10/94/945691094.db2.gz NAFPWQTUDPZGGT-QFIPXVFZSA-N 2 0 361.493 3.549 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(-c2cccnc2)cc1 ZINC000638728294 945699506 /nfs/dbraw/zinc/69/95/06/945699506.db2.gz MKXJPTUKTKTFTC-QGZVFWFLSA-N 2 0 353.510 3.635 20 0 FHADRP COc1cc(F)c(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000651691763 945701677 /nfs/dbraw/zinc/70/16/77/945701677.db2.gz GWHUNPOPNSTETN-GOSISDBHSA-N 2 0 372.484 3.845 20 0 FHADRP C[N@H+](Cc1cccc(-c2ccc([C@H]([NH3+])CO)c(C(F)(F)F)c2)c1)C1CC1 ZINC000629708311 945740420 /nfs/dbraw/zinc/74/04/20/945740420.db2.gz DWVXLQXHPWPLPG-LJQANCHMSA-N 2 0 364.411 3.959 20 0 FHADRP Fc1cc(F)c(CN2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001204742996 945792293 /nfs/dbraw/zinc/79/22/93/945792293.db2.gz WELDAGIAZZMBKG-UHFFFAOYSA-N 2 0 359.258 3.693 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000519836139 945798518 /nfs/dbraw/zinc/79/85/18/945798518.db2.gz BYBXPMCYHCWSEH-DLBZAZTESA-N 2 0 367.965 3.804 20 0 FHADRP COc1cc(OC)c(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651756247 945840857 /nfs/dbraw/zinc/84/08/57/945840857.db2.gz PAZMGDQTUZPXIP-WMZOPIPTSA-N 2 0 372.484 3.843 20 0 FHADRP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CC)c1ccccc1 ZINC000519906490 945870831 /nfs/dbraw/zinc/87/08/31/945870831.db2.gz FODQASJCOZKAEE-OAQYLSRUSA-N 2 0 357.542 3.593 20 0 FHADRP CCC[NH2+][C@@H](C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662757348 945889048 /nfs/dbraw/zinc/88/90/48/945889048.db2.gz LKNSUGQTFQRXDY-GHTZIAJQSA-N 2 0 371.569 3.524 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415913100 945901680 /nfs/dbraw/zinc/90/16/80/945901680.db2.gz OVTFLFAFNQCJHI-GOSISDBHSA-N 2 0 366.509 3.534 20 0 FHADRP CCC[NH+]1CCC(CNC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000101516466 945919261 /nfs/dbraw/zinc/91/92/61/945919261.db2.gz OBMJUPOOOGGZGJ-UHFFFAOYSA-N 2 0 359.558 3.769 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000415941241 945929505 /nfs/dbraw/zinc/92/95/05/945929505.db2.gz FUXWNFYPHYVKQZ-HXUWFJFHSA-N 2 0 354.498 3.529 20 0 FHADRP C[C@@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)C[NH+]1CCOCC1 ZINC000301792768 945968047 /nfs/dbraw/zinc/96/80/47/945968047.db2.gz OGOPHSMVDJUPNX-ZDUSSCGKSA-N 2 0 353.388 3.634 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)C3([NH2+]C4CC4)CCC3)c2)CC1 ZINC000662803368 946016597 /nfs/dbraw/zinc/01/65/97/946016597.db2.gz XEQQLLPUUZIHBL-UHFFFAOYSA-N 2 0 355.526 3.574 20 0 FHADRP Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c2cc(F)ccc2[nH+]1 ZINC000301877845 946016865 /nfs/dbraw/zinc/01/68/65/946016865.db2.gz KWQFCCOYHZWUIT-UHFFFAOYSA-N 2 0 354.429 3.630 20 0 FHADRP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000301982145 946065569 /nfs/dbraw/zinc/06/55/69/946065569.db2.gz AFRZDCUPQZKNJE-MRXNPFEDSA-N 2 0 353.510 3.795 20 0 FHADRP Cc1ccc2[nH+]ccc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000302143664 946141796 /nfs/dbraw/zinc/14/17/96/946141796.db2.gz GJMODDSTPIKEDY-HDICACEKSA-N 2 0 353.510 3.869 20 0 FHADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383609 946176969 /nfs/dbraw/zinc/17/69/69/946176969.db2.gz BGPWTGLHLBFOSR-KSSFIOAISA-N 2 0 363.427 3.542 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000514105366 946203258 /nfs/dbraw/zinc/20/32/58/946203258.db2.gz QWACQLUYMCQFBG-ARFHVFGLSA-N 2 0 354.441 3.649 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000514105369 946203756 /nfs/dbraw/zinc/20/37/56/946203756.db2.gz QWACQLUYMCQFBG-OAGGEKHMSA-N 2 0 354.441 3.649 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000103142837 946250128 /nfs/dbraw/zinc/25/01/28/946250128.db2.gz LDTPGZGCXZQLIX-UHFFFAOYSA-N 2 0 358.448 3.799 20 0 FHADRP COC(=O)C1(C)CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168055699 946300457 /nfs/dbraw/zinc/30/04/57/946300457.db2.gz XRMQMSLHJHTELW-ROUUACIJSA-N 2 0 358.526 3.703 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2cc1OCC ZINC000302752162 946310346 /nfs/dbraw/zinc/31/03/46/946310346.db2.gz UVEPHRFFUJBWCL-APWZRJJASA-N 2 0 369.509 3.953 20 0 FHADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168056069 946341142 /nfs/dbraw/zinc/34/11/42/946341142.db2.gz BXXQZRHDPYUZFG-ZDRNMDQLSA-N 3 0 355.570 3.702 20 0 FHADRP CCC[N@H+]1C[C@@H]2C[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168056063 946341186 /nfs/dbraw/zinc/34/11/86/946341186.db2.gz BXXQZRHDPYUZFG-BLKABHOGSA-N 3 0 355.570 3.702 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000248441138 946342923 /nfs/dbraw/zinc/34/29/23/946342923.db2.gz JZLGIRZKEOAMLU-YLJYHZDGSA-N 2 0 372.509 3.719 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc2ccccc21 ZINC000441250395 946345624 /nfs/dbraw/zinc/34/56/24/946345624.db2.gz QMFOWGWYRATSPK-NWSQWKLXSA-N 2 0 368.521 3.792 20 0 FHADRP C[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168067324 946356403 /nfs/dbraw/zinc/35/64/03/946356403.db2.gz TYYBJOURNCFNIU-HUMDQVGNSA-N 2 0 373.560 3.936 20 0 FHADRP CCc1cccc(Cl)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000475092408 946363574 /nfs/dbraw/zinc/36/35/74/946363574.db2.gz DIAZULRXINVQDR-UHFFFAOYSA-N 2 0 363.977 3.752 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652148953 946386958 /nfs/dbraw/zinc/38/69/58/946386958.db2.gz MZXVQORXRLHQAI-UGKGYDQZSA-N 2 0 358.574 3.566 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC2(C)CCN(C(=O)OCC)CC2)CC1 ZINC001204651510 946448479 /nfs/dbraw/zinc/44/84/79/946448479.db2.gz PKLJMACZAOFEAO-UHFFFAOYSA-N 2 0 367.578 3.689 20 0 FHADRP CCC(CC)(CNC(=O)c1ccc2c[nH+]cn2c1)[NH2+][C@H](C)c1ccccc1 ZINC000550323851 946479998 /nfs/dbraw/zinc/47/99/98/946479998.db2.gz BTSAKVGDIGZQAD-QGZVFWFLSA-N 2 0 364.493 3.974 20 0 FHADRP CCc1ccc(-c2ccc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)o2)cc1 ZINC000441346958 946499604 /nfs/dbraw/zinc/49/96/04/946499604.db2.gz OIEJQIUPWMYYJL-UHFFFAOYSA-N 2 0 355.526 3.625 20 0 FHADRP C[C@H](OC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363685 946509595 /nfs/dbraw/zinc/50/95/95/946509595.db2.gz KBPDXUVWWCEBHP-DBVUQKKJSA-N 2 0 368.949 3.585 20 0 FHADRP Cc1nnc([C@@H]2CCC[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)o1 ZINC001168058207 946607049 /nfs/dbraw/zinc/60/70/49/946607049.db2.gz PCYCNKFTBDGLDH-ABSDTBQOSA-N 2 0 368.525 3.999 20 0 FHADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000520428368 946616084 /nfs/dbraw/zinc/61/60/84/946616084.db2.gz RWMRMBOMMJQOOL-INIZCTEOSA-N 2 0 350.466 3.861 20 0 FHADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475546652 946617035 /nfs/dbraw/zinc/61/70/35/946617035.db2.gz HOTNEEWZTJBDTN-RWBZWWBESA-N 2 0 351.332 3.987 20 0 FHADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000661775509 946619259 /nfs/dbraw/zinc/61/92/59/946619259.db2.gz TUMNRSUOEGVJDA-DHIUTWEWSA-N 2 0 366.553 3.907 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475553903 946635477 /nfs/dbraw/zinc/63/54/77/946635477.db2.gz GWFVXPZUHRBINL-ZLPCBKJTSA-N 2 0 363.933 3.972 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000104694108 946711963 /nfs/dbraw/zinc/71/19/63/946711963.db2.gz RRIIXMDXEIJGGL-UHFFFAOYSA-N 2 0 354.542 3.897 20 0 FHADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663019387 946715528 /nfs/dbraw/zinc/71/55/28/946715528.db2.gz JVXJNXIFSZLAKH-QMMLZNLJSA-N 2 0 371.569 3.509 20 0 FHADRP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059899 946742665 /nfs/dbraw/zinc/74/26/65/946742665.db2.gz HKPMYTMAYHXNSY-JRBPQWBISA-N 2 0 358.526 3.559 20 0 FHADRP Cc1nnc(C2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)o1 ZINC001168060347 946783756 /nfs/dbraw/zinc/78/37/56/946783756.db2.gz WSUJTTLRLZTMCA-UPHUGPLXSA-N 2 0 368.525 3.999 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179106772 946825729 /nfs/dbraw/zinc/82/57/29/946825729.db2.gz PBCKEZCIVDSZOI-QGZVFWFLSA-N 2 0 372.944 3.723 20 0 FHADRP CCC[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000696988507 946842931 /nfs/dbraw/zinc/84/29/31/946842931.db2.gz HWJNHKAKYQANRC-UHFFFAOYSA-N 2 0 353.551 3.678 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCOc3cccc4ccccc43)C2)C1 ZINC000652347418 946885422 /nfs/dbraw/zinc/88/54/22/946885422.db2.gz AMTCRRLDEIGSLV-MZKRTTBSSA-N 2 0 368.521 3.827 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444669989 947094417 /nfs/dbraw/zinc/09/44/17/947094417.db2.gz HRAPHVAVLGHTMS-WIYYLYMNSA-N 2 0 369.578 3.873 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192918508 947105904 /nfs/dbraw/zinc/10/59/04/947105904.db2.gz IICMEETVRSXQCO-QUCCMNQESA-N 2 0 351.494 3.515 20 0 FHADRP COC1(C)CC[NH+](CC(C[NH+]2CCC(C)(OC)CC2)c2ccccc2)CC1 ZINC000639569446 947132605 /nfs/dbraw/zinc/13/26/05/947132605.db2.gz USEYVIDFGNEEGK-UHFFFAOYSA-N 2 0 374.569 3.772 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000523390980 947213930 /nfs/dbraw/zinc/21/39/30/947213930.db2.gz PYPGMNJUCOKYQJ-UHFFFAOYSA-N 2 0 368.521 3.673 20 0 FHADRP FC(F)(F)COCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245681703 947219929 /nfs/dbraw/zinc/21/99/29/947219929.db2.gz IZZDZPMMVCZFJQ-BCDXTJNWSA-N 2 0 356.432 3.741 20 0 FHADRP COCCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246112140 947234794 /nfs/dbraw/zinc/23/47/94/947234794.db2.gz JUHUVTZMZWPAOA-SIKLNZKXSA-N 2 0 358.526 3.551 20 0 FHADRP Cc1cn2cc(NC(=O)N3CCC(C[NH+]4CCCCCC4)CC3)ccc2n1 ZINC000599405786 947342060 /nfs/dbraw/zinc/34/20/60/947342060.db2.gz QGKKKGUJQARERF-UHFFFAOYSA-N 2 0 369.513 3.763 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NCCC1(C[NH3+])CC1)C1CCCCC1 ZINC000652562574 947357672 /nfs/dbraw/zinc/35/76/72/947357672.db2.gz HGOJJCWEQKWGAL-UHFFFAOYSA-N 2 0 358.530 3.702 20 0 FHADRP O=C(NCCCCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001126211961 947542809 /nfs/dbraw/zinc/54/28/09/947542809.db2.gz PWWWAJGKXMRDJC-UHFFFAOYSA-N 2 0 361.530 3.652 20 0 FHADRP COc1cc2c(cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)O[C@H](C)C2 ZINC000523732197 947553384 /nfs/dbraw/zinc/55/33/84/947553384.db2.gz VMYRVCQKQFOIKV-CQSZACIVSA-N 2 0 358.457 3.509 20 0 FHADRP CCCC[N@H+](C)CC1CCN(Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188970682 947568986 /nfs/dbraw/zinc/56/89/86/947568986.db2.gz IKFIRWSQRODGRG-UHFFFAOYSA-N 2 0 360.477 3.820 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189044612 947611788 /nfs/dbraw/zinc/61/17/88/947611788.db2.gz CAFJVQNJCCBHSR-SFHVURJKSA-N 2 0 358.505 3.672 20 0 FHADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000523838767 947659731 /nfs/dbraw/zinc/65/97/31/947659731.db2.gz IPJYGKMVYIXFAE-UGKGYDQZSA-N 2 0 371.569 3.839 20 0 FHADRP COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000662249499 947672796 /nfs/dbraw/zinc/67/27/96/947672796.db2.gz VTZLTTOAIUDADL-FQEVSTJZSA-N 2 0 352.478 3.687 20 0 FHADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc5c4CC[NH2+]C5)C3)nc2c1 ZINC000662275875 947700031 /nfs/dbraw/zinc/70/00/31/947700031.db2.gz BUBSDMWHFOHQAJ-IBGZPJMESA-N 2 0 360.505 3.897 20 0 FHADRP Brc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662280073 947700187 /nfs/dbraw/zinc/70/01/87/947700187.db2.gz CEGAAHQPIBRFDA-SFHVURJKSA-N 2 0 373.294 3.708 20 0 FHADRP Clc1ccc(-c2noc(CC[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662293826 947716407 /nfs/dbraw/zinc/71/64/07/947716407.db2.gz TXZRQZZOXNAXPW-QGZVFWFLSA-N 2 0 374.916 3.644 20 0 FHADRP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295229 947717910 /nfs/dbraw/zinc/71/79/10/947717910.db2.gz GCXGNJRNVZXXJT-MRXNPFEDSA-N 2 0 360.889 3.602 20 0 FHADRP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662296531 947722397 /nfs/dbraw/zinc/72/23/97/947722397.db2.gz LROIQQCIURPYOB-KRWDZBQOSA-N 2 0 374.916 3.644 20 0 FHADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322007 947749131 /nfs/dbraw/zinc/74/91/31/947749131.db2.gz SRXSNXVACQAJOK-SFHVURJKSA-N 2 0 358.448 3.681 20 0 FHADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC1)CC2 ZINC000662327134 947751219 /nfs/dbraw/zinc/75/12/19/947751219.db2.gz KDNXGFPFSSUEBK-QFIPXVFZSA-N 2 0 368.500 3.883 20 0 FHADRP c1cc(COc2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc2)ccn1 ZINC000663347590 947820466 /nfs/dbraw/zinc/82/04/66/947820466.db2.gz PMPJAMXGLAYDDQ-QFIPXVFZSA-N 2 0 365.521 3.872 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@@H](C)O1 ZINC000246965281 947950611 /nfs/dbraw/zinc/95/06/11/947950611.db2.gz JCHHMQVPDSAIPX-RKVPGOIHSA-N 2 0 352.519 3.842 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662675900 947973906 /nfs/dbraw/zinc/97/39/06/947973906.db2.gz QGEDEZUWHWMXGF-KRWDZBQOSA-N 2 0 363.505 3.959 20 0 FHADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662699284 947989500 /nfs/dbraw/zinc/98/95/00/947989500.db2.gz ZMDCUVHRTBSLMG-GOSISDBHSA-N 2 0 369.431 3.543 20 0 FHADRP C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467978 948054338 /nfs/dbraw/zinc/05/43/38/948054338.db2.gz JMTRFEYBLAGIEU-VJBMBRPKSA-N 2 0 355.570 3.609 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663466970 948056610 /nfs/dbraw/zinc/05/66/10/948056610.db2.gz CIHBXWQEJZZYMD-HKUYNNGSSA-N 2 0 372.557 3.989 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000663470146 948064420 /nfs/dbraw/zinc/06/44/20/948064420.db2.gz SLPOPXNNOJIETD-WMZOPIPTSA-N 2 0 370.541 3.743 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001167823778 948103095 /nfs/dbraw/zinc/10/30/95/948103095.db2.gz AABUVKFDSNKVBZ-ZIAGYGMSSA-N 2 0 362.440 3.778 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2ncc(Br)cc2C1 ZINC001167824683 948112467 /nfs/dbraw/zinc/11/24/67/948112467.db2.gz FGCXUKDCKTVMDB-CQSZACIVSA-N 2 0 354.336 3.713 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000663506541 948125529 /nfs/dbraw/zinc/12/55/29/948125529.db2.gz ULJMGYRVIWNZLR-RBBKRZOGSA-N 2 0 371.569 3.683 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001167825741 948126461 /nfs/dbraw/zinc/12/64/61/948126461.db2.gz SVLGUTNBHAQLGO-HLAWJBBLSA-N 2 0 352.563 3.547 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001167826241 948128771 /nfs/dbraw/zinc/12/87/71/948128771.db2.gz NFQWUHIWXJXLEQ-KRWDZBQOSA-N 2 0 356.514 3.648 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001167833443 948225141 /nfs/dbraw/zinc/22/51/41/948225141.db2.gz BJVBSJNWBSDAKO-UYAOXDASSA-N 2 0 357.542 3.617 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC001167833474 948226023 /nfs/dbraw/zinc/22/60/23/948226023.db2.gz BNKIXZYEKUUGOZ-HNNXBMFYSA-N 2 0 371.367 3.793 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001167834776 948269615 /nfs/dbraw/zinc/26/96/15/948269615.db2.gz MURMWGCPMHQOQD-ZWKOTPCHSA-N 2 0 363.521 3.530 20 0 FHADRP CCC[NH+](CCC)CCCN1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835710 948297781 /nfs/dbraw/zinc/29/77/81/948297781.db2.gz UCRBDXDAHUCALB-JOCHJYFZSA-N 3 0 368.654 3.627 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001167838056 948311357 /nfs/dbraw/zinc/31/13/57/948311357.db2.gz PEEHMZCAZGMZEQ-GOSISDBHSA-N 2 0 351.966 3.968 20 0 FHADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000512060936 948335591 /nfs/dbraw/zinc/33/55/91/948335591.db2.gz WKMRSZFUZPZMKK-UHFFFAOYSA-N 2 0 355.320 3.669 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000192516182 948405895 /nfs/dbraw/zinc/40/58/95/948405895.db2.gz KTFBNZFQQMYHHS-HTAPYJJXSA-N 2 0 351.494 3.731 20 0 FHADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000390929395 948453943 /nfs/dbraw/zinc/45/39/43/948453943.db2.gz ZLROHYIGXTZRIL-OALUTQOASA-N 2 0 369.475 3.515 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CCCO1 ZINC000432450123 948455132 /nfs/dbraw/zinc/45/51/32/948455132.db2.gz WHVIJQOHBAKGRJ-AVRDEDQJSA-N 2 0 372.553 3.870 20 0 FHADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000279122077 948526855 /nfs/dbraw/zinc/52/68/55/948526855.db2.gz XHSQOQWQQNVWDJ-SFHVURJKSA-N 2 0 359.514 3.502 20 0 FHADRP CCC(CC)(CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417706505 948551380 /nfs/dbraw/zinc/55/13/80/948551380.db2.gz PBUFYBIGZWGSJQ-HBFSDRIKSA-N 2 0 374.573 3.583 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CCCCC2)cc1)C(C)C ZINC000512157091 948579786 /nfs/dbraw/zinc/57/97/86/948579786.db2.gz BLMPQHOQGWEUTR-UHFFFAOYSA-N 2 0 359.558 3.911 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]CC(C)(C)CO)c2ccc(F)cc2)CC1 ZINC000643312440 948640307 /nfs/dbraw/zinc/64/03/07/948640307.db2.gz GBOFQPQYSYUYNE-FQEVSTJZSA-N 2 0 350.522 3.987 20 0 FHADRP COc1ccc2oc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000512176062 948656958 /nfs/dbraw/zinc/65/69/58/948656958.db2.gz AYTJPCUBYKVPIB-IAGOWNOFSA-N 2 0 372.509 3.763 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000154390430 948748633 /nfs/dbraw/zinc/74/86/33/948748633.db2.gz QTZFEFBGYPDHTI-QHCPKHFHSA-N 2 0 357.586 3.795 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000520732909 948761233 /nfs/dbraw/zinc/76/12/33/948761233.db2.gz WJICHCKCTAVHNV-FQEVSTJZSA-N 2 0 357.542 3.665 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187077477 948783848 /nfs/dbraw/zinc/78/38/48/948783848.db2.gz NJNQGFDOQHJEGD-FGZHOGPDSA-N 2 0 373.585 3.726 20 0 FHADRP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563120089 568224787 /nfs/dbraw/zinc/22/47/87/568224787.db2.gz QXONMVQBMBTDLY-LJQANCHMSA-N 2 0 360.567 3.685 20 0 FHADRP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCC2 ZINC000563134468 568266561 /nfs/dbraw/zinc/26/65/61/568266561.db2.gz CTAINVXFDFLGMB-NHCUHLMSSA-N 2 0 361.599 3.648 20 0 FHADRP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563135102 568267142 /nfs/dbraw/zinc/26/71/42/568267142.db2.gz FVEDHWDUHIIERG-OAQYLSRUSA-N 2 0 366.505 3.550 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000604416653 568274871 /nfs/dbraw/zinc/27/48/71/568274871.db2.gz UYUQLSVGYFULFL-KRWDZBQOSA-N 2 0 371.500 3.652 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2cnc(C4CC4)nc2)C3)cc1 ZINC000365239647 568348053 /nfs/dbraw/zinc/34/80/53/568348053.db2.gz WUUHKHUUEXFZPO-KOUNCHBCSA-N 2 0 362.521 3.682 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000314991567 568349495 /nfs/dbraw/zinc/34/94/95/568349495.db2.gz RVQYPJMACWAJOP-KRWDZBQOSA-N 2 0 367.331 3.984 20 0 FHADRP CC1(C)C[NH+](Cc2ccc(C[N@@H+]3CCCOC(C)(C)C3)cc2)CCCO1 ZINC000604999094 568512389 /nfs/dbraw/zinc/51/23/89/568512389.db2.gz MDJFSZQTDBADLW-UHFFFAOYSA-N 2 0 360.542 3.688 20 0 FHADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(F)c(Cl)c3Cl)CC2)CC1 ZINC000365334122 568516648 /nfs/dbraw/zinc/51/66/48/568516648.db2.gz ZZXKQUDQKBTJAI-UHFFFAOYSA-N 2 0 374.331 3.781 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821198346 599362689 /nfs/dbraw/zinc/36/26/89/599362689.db2.gz RYJJJOFIKKRURP-INIZCTEOSA-N 2 0 364.497 3.559 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820437847 599367563 /nfs/dbraw/zinc/36/75/63/599367563.db2.gz DVTOZXLCONAAGQ-MRXNPFEDSA-N 2 0 364.497 3.558 20 0 FHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1 ZINC001164417971 718893478 /nfs/dbraw/zinc/89/34/78/718893478.db2.gz MACMJXJFRSENDU-NHCUHLMSSA-N 2 0 356.558 3.987 20 0 FHADRP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc(N5CCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001164630893 719088302 /nfs/dbraw/zinc/08/83/02/719088302.db2.gz XHKCIENNSIHBJK-IFMALSPDSA-N 2 0 362.521 3.783 20 0 FHADRP CCOc1cc[nH+]c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164692092 719808726 /nfs/dbraw/zinc/80/87/26/719808726.db2.gz FUYBLBJBJIGFHG-UHFFFAOYSA-N 2 0 372.538 3.880 20 0 FHADRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)c1ccnc(Cl)c1 ZINC001164732610 720547264 /nfs/dbraw/zinc/54/72/64/720547264.db2.gz ABEWTTAHORGUTG-MRXNPFEDSA-N 2 0 365.949 3.982 20 0 FHADRP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770721 721299704 /nfs/dbraw/zinc/29/97/04/721299704.db2.gz URWIHXOTTZGHKO-UHFFFAOYSA-N 2 0 362.521 3.757 20 0 FHADRP C[NH+](C)Cc1ccnc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001165014613 721767998 /nfs/dbraw/zinc/76/79/98/721767998.db2.gz HJUNWHRKVMZGCG-UHFFFAOYSA-N 2 0 373.460 3.655 20 0 FHADRP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1C ZINC001165025647 721826260 /nfs/dbraw/zinc/82/62/60/721826260.db2.gz NFDBMBIJAGCCTF-TYPHKJRUSA-N 2 0 350.510 3.830 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000583025059 936376304 /nfs/dbraw/zinc/37/63/04/936376304.db2.gz OVPJOZHHHIFQJP-SFHVURJKSA-N 2 0 370.468 3.805 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000583137858 937159213 /nfs/dbraw/zinc/15/92/13/937159213.db2.gz KPFMPAWZZVKRJO-CYBMUJFWSA-N 2 0 351.288 3.698 20 0 FHADRP Brc1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)CCCO2 ZINC000643546185 927423399 /nfs/dbraw/zinc/42/33/99/927423399.db2.gz KBQSWVNGLLYROV-ZBFHGGJFSA-N 2 0 365.315 3.927 20 0 FHADRP CCN1CCC([NH+]2CCC(C(=O)N(C)C(C)(C)c3ccccc3)CC2)CC1 ZINC000655065961 928009982 /nfs/dbraw/zinc/00/99/82/928009982.db2.gz TZJFMNGAJJQZRO-UHFFFAOYSA-N 2 0 371.569 3.576 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000109022003 928034431 /nfs/dbraw/zinc/03/44/31/928034431.db2.gz HTCSORMXDNZPNX-UHFFFAOYSA-N 2 0 367.537 3.910 20 0 FHADRP CC[N@H+](CCCC1CC[NH+](CC2CCOCC2)CC1)CC1CCOCC1 ZINC000179599269 928851481 /nfs/dbraw/zinc/85/14/81/928851481.db2.gz CKFPMFHDCLUCHG-UHFFFAOYSA-N 2 0 366.590 3.654 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180077600 929352592 /nfs/dbraw/zinc/35/25/92/929352592.db2.gz OTJNQTVBIZHTDU-UHFFFAOYSA-N 2 0 373.491 3.670 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCCC2 ZINC000647284859 937325782 /nfs/dbraw/zinc/32/57/82/937325782.db2.gz NJKJNCNVTRJING-SFHVURJKSA-N 2 0 352.526 3.782 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000537949740 929395330 /nfs/dbraw/zinc/39/53/30/929395330.db2.gz SVYLUAMGFFBGJZ-MLGOLLRUSA-N 2 0 359.739 3.965 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000180235615 929427008 /nfs/dbraw/zinc/42/70/08/929427008.db2.gz UQBODDAPIZBTET-JOCHJYFZSA-N 2 0 352.522 3.645 20 0 FHADRP Cc1ccc(C)c([C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc2)c1 ZINC000180485101 929523027 /nfs/dbraw/zinc/52/30/27/929523027.db2.gz XOUHDRSCNSZWJD-HSZRJFAPSA-N 2 0 352.522 3.687 20 0 FHADRP OC1(C[NH2+]Cc2csc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397611480 929718456 /nfs/dbraw/zinc/71/84/56/929718456.db2.gz RQFHKMWVZPKGJW-UHFFFAOYSA-N 2 0 350.915 3.518 20 0 FHADRP COc1ccc(-c2nc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC000683706077 929852808 /nfs/dbraw/zinc/85/28/08/929852808.db2.gz BKDDWBYXDHMPNZ-UHFFFAOYSA-N 2 0 357.523 3.783 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)CC3 ZINC000123056696 929873849 /nfs/dbraw/zinc/87/38/49/929873849.db2.gz FKWHHPRWHPVEKE-GOSISDBHSA-N 2 0 363.505 3.885 20 0 FHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc(-c2ccccc2)cs1 ZINC000580129300 930284050 /nfs/dbraw/zinc/28/40/50/930284050.db2.gz UPPGOOOMBSAECP-IBGZPJMESA-N 2 0 372.582 3.658 20 0 FHADRP COc1ccc([C@H](CC(C)C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000647289795 937401876 /nfs/dbraw/zinc/40/18/76/937401876.db2.gz KGYKBTCEYWEGTC-AVRDEDQJSA-N 2 0 360.542 3.873 20 0 FHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000583410512 937424304 /nfs/dbraw/zinc/42/43/04/937424304.db2.gz RANKRAODTAOAMG-STQMWFEESA-N 2 0 350.450 3.746 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000548085647 930573762 /nfs/dbraw/zinc/57/37/62/930573762.db2.gz RKPHRTMXYVRBEG-HXUWFJFHSA-N 2 0 369.509 3.688 20 0 FHADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600964704 937427896 /nfs/dbraw/zinc/42/78/96/937427896.db2.gz URNNWFGMIPSXJY-OAQYLSRUSA-N 2 0 357.542 3.552 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000471596893 930880822 /nfs/dbraw/zinc/88/08/22/930880822.db2.gz YQCGTFYJTKIKRO-APWZRJJASA-N 2 0 357.567 3.894 20 0 FHADRP CC(C)[NH+](CCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)C(C)C ZINC000155806584 930950563 /nfs/dbraw/zinc/95/05/63/930950563.db2.gz DORITLNHAQKHHN-HNNXBMFYSA-N 2 0 354.926 3.551 20 0 FHADRP C[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CCS[C@H](C)CC3)c2)CCS1 ZINC000580695725 931023898 /nfs/dbraw/zinc/02/38/98/931023898.db2.gz SVDLWQXOIDZMJT-IAGOWNOFSA-N 2 0 365.612 3.736 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000510356089 931207213 /nfs/dbraw/zinc/20/72/13/931207213.db2.gz QRROWKJLLACGRG-UHFFFAOYSA-N 2 0 352.526 3.831 20 0 FHADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(-c3ccccn3)c2)C[C@H](C)O1 ZINC000127358635 931323702 /nfs/dbraw/zinc/32/37/02/931323702.db2.gz YNTLSXUGAGUSFH-OALUTQOASA-N 2 0 353.510 3.728 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684112813 931353662 /nfs/dbraw/zinc/35/36/62/931353662.db2.gz CBODITSDYSHDAG-YADHBBJMSA-N 2 0 366.553 3.948 20 0 FHADRP COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976626 931672216 /nfs/dbraw/zinc/67/22/16/931672216.db2.gz PWEIRDLKXKHUQV-UHFFFAOYSA-N 2 0 372.509 3.842 20 0 FHADRP COCCNc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155304 931709640 /nfs/dbraw/zinc/70/96/40/931709640.db2.gz RRYNRDDFCYMGHF-DENIHFKCSA-N 2 0 367.537 3.745 20 0 FHADRP c1ccc([C@@H](CN2CCCCC2)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000656496383 931886567 /nfs/dbraw/zinc/88/65/67/931886567.db2.gz DRBMLFGVUVAZAM-HSZRJFAPSA-N 2 0 364.537 3.867 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574045 931915372 /nfs/dbraw/zinc/91/53/72/931915372.db2.gz SDACETHMSDYEPL-MSOLQXFVSA-N 2 0 367.493 3.867 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(C)c1 ZINC000581385751 931928349 /nfs/dbraw/zinc/92/83/49/931928349.db2.gz OBJRGBRUHKLRRP-HSZRJFAPSA-N 2 0 351.538 3.983 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598004 932028900 /nfs/dbraw/zinc/02/89/00/932028900.db2.gz NDUOBTQDLCPJIY-TZMCWYRMSA-N 2 0 364.287 3.663 20 0 FHADRP O=C(CC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)Nc1cc(F)cc(F)c1 ZINC000581543328 932232289 /nfs/dbraw/zinc/23/22/89/932232289.db2.gz CBSWOYRFRQCOMH-UHFFFAOYSA-N 2 0 373.447 3.679 20 0 FHADRP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000581577118 932265722 /nfs/dbraw/zinc/26/57/22/932265722.db2.gz NTSZETYZRWBJKX-RXVVDRJESA-N 2 0 369.553 3.594 20 0 FHADRP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786443 932422296 /nfs/dbraw/zinc/42/22/96/932422296.db2.gz MOJCFXPBKPRHTD-SFHVURJKSA-N 2 0 356.489 3.531 20 0 FHADRP CCOc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1OC(F)F ZINC000581695855 932517270 /nfs/dbraw/zinc/51/72/70/932517270.db2.gz GZPWATGJXNXROH-UHFFFAOYSA-N 2 0 374.497 3.604 20 0 FHADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000510467520 932738015 /nfs/dbraw/zinc/73/80/15/932738015.db2.gz NGLMMQOCVJZXEF-UHFFFAOYSA-N 2 0 374.481 3.534 20 0 FHADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000157014295 932819544 /nfs/dbraw/zinc/81/95/44/932819544.db2.gz BHGWLFINBAJYIO-UHFFFAOYSA-N 2 0 365.512 3.738 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000581882757 932830604 /nfs/dbraw/zinc/83/06/04/932830604.db2.gz NEWCPOJZZCLEIH-BRWVUGGUSA-N 2 0 367.493 3.568 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000157663091 933005182 /nfs/dbraw/zinc/00/51/82/933005182.db2.gz LSWJIGFHYGURCT-KRWDZBQOSA-N 2 0 365.512 3.880 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OCCC(C)C)CC2)CC1 ZINC000510506525 933168249 /nfs/dbraw/zinc/16/82/49/933168249.db2.gz RMOROGPOZZSRLY-UHFFFAOYSA-N 2 0 373.585 3.856 20 0 FHADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000430742141 933192739 /nfs/dbraw/zinc/19/27/39/933192739.db2.gz NUXJVOQJVGJWAY-GLHNNUHNSA-N 2 0 369.553 3.596 20 0 FHADRP COc1ccc(-n2c(C[NH+]3CCC([C@@H](C)[NH3+])CC3)nc3ccccc32)cc1 ZINC000430917139 933412006 /nfs/dbraw/zinc/41/20/06/933412006.db2.gz CKLCZSGXVCUSGS-MRXNPFEDSA-N 2 0 364.493 3.593 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430923263 933420640 /nfs/dbraw/zinc/42/06/40/933420640.db2.gz FAPKJJOHGQTPEX-KRWDZBQOSA-N 2 0 367.493 3.867 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1c(Cl)cccc1Cl ZINC000391952014 933561524 /nfs/dbraw/zinc/56/15/24/933561524.db2.gz UJZYTPJIBXAOCH-CJNGLKHVSA-N 2 0 370.324 3.786 20 0 FHADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1-c1ccccc1 ZINC000431040421 933719998 /nfs/dbraw/zinc/71/99/98/933719998.db2.gz MARBOFRQUFZEPZ-UHFFFAOYSA-N 2 0 363.505 3.758 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)cc1 ZINC000510797225 933754372 /nfs/dbraw/zinc/75/43/72/933754372.db2.gz LSYMIKFNCYGGJG-RBUKOAKNSA-N 2 0 359.558 3.769 20 0 FHADRP CC(C)(C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C[NH+]1CCCC1 ZINC000276878357 933856309 /nfs/dbraw/zinc/85/63/09/933856309.db2.gz KREYBZZDXPOZQW-UHFFFAOYSA-N 2 0 355.526 3.531 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CC[NH+](C)CC1 ZINC000132379817 934044418 /nfs/dbraw/zinc/04/44/18/934044418.db2.gz XTVJLIRIBNZOQF-ROUUACIJSA-N 2 0 367.990 3.739 20 0 FHADRP CN(c1ccccc1C[NH+]1CCC(OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000092454252 934058335 /nfs/dbraw/zinc/05/83/35/934058335.db2.gz KFWSHWIQCBAZON-UHFFFAOYSA-N 2 0 373.585 3.997 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000582003251 934159074 /nfs/dbraw/zinc/15/90/74/934159074.db2.gz CDBPNZGRKYGHMB-YYWHXJBOSA-N 2 0 366.505 3.930 20 0 FHADRP Cc1cccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccc(F)c2)c1 ZINC000510953487 934219092 /nfs/dbraw/zinc/21/90/92/934219092.db2.gz VKRSVJUATVEECC-QFIPXVFZSA-N 2 0 369.528 3.839 20 0 FHADRP C(CC[N@@H+]1CCC[C@]2(CCCOC2)C1)C[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000535724150 934311634 /nfs/dbraw/zinc/31/16/34/934311634.db2.gz JLEAAJXKXWLQRF-VXKWHMMOSA-N 2 0 364.574 3.552 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000458207147 934377855 /nfs/dbraw/zinc/37/78/55/934377855.db2.gz VVTQDVXGWRYRBN-UHFFFAOYSA-N 2 0 373.566 3.794 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000092375734 934562848 /nfs/dbraw/zinc/56/28/48/934562848.db2.gz LUMJRWYGYDJQFR-UHFFFAOYSA-N 2 0 368.912 3.863 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000236629812 934755408 /nfs/dbraw/zinc/75/54/08/934755408.db2.gz GEHTYCXVTJLYDL-LJQANCHMSA-N 2 0 371.569 3.561 20 0 FHADRP Clc1ccc(Br)c(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090579538 934880722 /nfs/dbraw/zinc/88/07/22/934880722.db2.gz OQVMOFKPRXIFLO-LSDHHAIUSA-N 2 0 357.723 3.861 20 0 FHADRP Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000657297117 934999653 /nfs/dbraw/zinc/99/96/53/934999653.db2.gz LJYXLEJGGNLPKJ-UHFFFAOYSA-N 2 0 366.431 3.715 20 0 FHADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OCc1ccccc1 ZINC000415006072 945075964 /nfs/dbraw/zinc/07/59/64/945075964.db2.gz PTJPBBUOZSBCDB-ICSRJNTNSA-N 2 0 354.494 3.881 20 0 FHADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000657303764 935045635 /nfs/dbraw/zinc/04/56/35/935045635.db2.gz QFLXMWJWXJRPDH-UHFFFAOYSA-N 2 0 360.505 3.848 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657308429 935076178 /nfs/dbraw/zinc/07/61/78/935076178.db2.gz SEZWWVHXWAWAEL-HSZRJFAPSA-N 2 0 368.521 3.984 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657311849 935112489 /nfs/dbraw/zinc/11/24/89/935112489.db2.gz XBUQUQRFGHIBOC-CYBMUJFWSA-N 2 0 358.299 3.585 20 0 FHADRP Cc1ccc([C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)N2CCCC2)cc1 ZINC000657338618 935272455 /nfs/dbraw/zinc/27/24/55/935272455.db2.gz QZXYFRLEZURBIM-JOCHJYFZSA-N 2 0 361.493 3.502 20 0 FHADRP CC(C)(C)OCc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657342112 935280004 /nfs/dbraw/zinc/28/00/04/935280004.db2.gz GJJYAYGJYLPZGD-UHFFFAOYSA-N 2 0 350.466 3.872 20 0 FHADRP CN(C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985042 945092829 /nfs/dbraw/zinc/09/28/29/945092829.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 2 0 367.581 3.988 20 0 FHADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000159305792 935832325 /nfs/dbraw/zinc/83/23/25/935832325.db2.gz WCJWZQYPZOWRNK-IBGZPJMESA-N 2 0 353.510 3.804 20 0 FHADRP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000657495984 935874315 /nfs/dbraw/zinc/87/43/15/935874315.db2.gz LETBDBCYNJBBPL-XMSQKQJNSA-N 2 0 371.569 3.832 20 0 FHADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000582635764 935895147 /nfs/dbraw/zinc/89/51/47/935895147.db2.gz CENHDYVWPYQLOF-CVEARBPZSA-N 2 0 366.571 3.613 20 0 FHADRP CC1(C(=O)NCC[NH2+]C2CCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000582661685 935921486 /nfs/dbraw/zinc/92/14/86/935921486.db2.gz RZZXNCMGOIXGDP-UHFFFAOYSA-N 2 0 371.569 3.717 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000582666504 935924857 /nfs/dbraw/zinc/92/48/57/935924857.db2.gz VBCASDQUIIYTHM-UHFFFAOYSA-N 2 0 365.477 3.935 20 0 FHADRP Clc1cc2cccnc2c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535954 935975094 /nfs/dbraw/zinc/97/50/94/935975094.db2.gz URWARQDTLHKYJM-UHFFFAOYSA-N 2 0 373.928 3.869 20 0 FHADRP Clc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000657536109 935975177 /nfs/dbraw/zinc/97/51/77/935975177.db2.gz FUPPUNNDVQLUFE-UHFFFAOYSA-N 2 0 357.325 3.974 20 0 FHADRP COc1ccc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)ccc2c1 ZINC000657536699 935976592 /nfs/dbraw/zinc/97/65/92/935976592.db2.gz NXGMREPXTCPCDI-UHFFFAOYSA-N 2 0 368.521 3.829 20 0 FHADRP CC(C)COc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596538 936076351 /nfs/dbraw/zinc/07/63/51/936076351.db2.gz NYROQFWLQUIFKS-JOCHJYFZSA-N 2 0 368.521 3.578 20 0 FHADRP CCc1ccc(CC)c(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000438855744 945144339 /nfs/dbraw/zinc/14/43/39/945144339.db2.gz KELNACMDZXUHPH-HXUWFJFHSA-N 2 0 374.573 3.691 20 0 FHADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000657613328 936093409 /nfs/dbraw/zinc/09/34/09/936093409.db2.gz YOMKBKZWGBAMMR-UHFFFAOYSA-N 2 0 353.510 3.872 20 0 FHADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CC1(C)C ZINC000582799735 936139419 /nfs/dbraw/zinc/13/94/19/936139419.db2.gz YBQREPYKSPBGHZ-JBACZVJFSA-N 2 0 356.554 3.939 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C)C1CCCCC1 ZINC000582833131 936184806 /nfs/dbraw/zinc/18/48/06/936184806.db2.gz QUAXXLWTFGMIIP-LJQANCHMSA-N 2 0 358.530 3.713 20 0 FHADRP C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC[NH2+]CC1 ZINC000237667538 936195446 /nfs/dbraw/zinc/19/54/46/936195446.db2.gz AVOHPBODZKTRID-LJQANCHMSA-N 2 0 371.569 3.705 20 0 FHADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000120344443 936214396 /nfs/dbraw/zinc/21/43/96/936214396.db2.gz ACYPTVLIBFLCOX-AWEZNQCLSA-N 2 0 359.436 3.744 20 0 FHADRP C[NH+](C)CCOCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000582885208 936258666 /nfs/dbraw/zinc/25/86/66/936258666.db2.gz YWOKGQZBPPFWIL-LJQANCHMSA-N 2 0 350.865 3.736 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000120876936 936266524 /nfs/dbraw/zinc/26/65/24/936266524.db2.gz XXXWELLOFVWJEE-INIZCTEOSA-N 2 0 360.473 3.763 20 0 FHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150987222 938252973 /nfs/dbraw/zinc/25/29/73/938252973.db2.gz DRQVQLFYXRBMAQ-MRXNPFEDSA-N 2 0 372.582 3.795 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151002082 938268607 /nfs/dbraw/zinc/26/86/07/938268607.db2.gz DOBHGZHBJITQKC-QGZVFWFLSA-N 2 0 356.341 3.596 20 0 FHADRP CCc1cnc(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000151021930 938284546 /nfs/dbraw/zinc/28/45/46/938284546.db2.gz SVPGMIGLIURHLF-UHFFFAOYSA-N 2 0 372.582 3.568 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000650706270 938285456 /nfs/dbraw/zinc/28/54/56/938285456.db2.gz HPXVFMXZQSYFGZ-ZOCZFRKYSA-N 2 0 358.457 3.804 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000650707176 938289018 /nfs/dbraw/zinc/28/90/18/938289018.db2.gz ZZQWVGHWNVABSF-CPUCHLNUSA-N 2 0 374.859 3.660 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709670 938290758 /nfs/dbraw/zinc/29/07/58/938290758.db2.gz LLZYTPGGCHEGCU-RXVVDRJESA-N 2 0 372.944 3.762 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)cs2)C1 ZINC000650722799 938309953 /nfs/dbraw/zinc/30/99/53/938309953.db2.gz BKYCVQXTPCKKFL-NZSAHSFTSA-N 2 0 357.523 3.671 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccc3)s2)C1 ZINC000650723395 938310725 /nfs/dbraw/zinc/31/07/25/938310725.db2.gz NHVMIVMVIIALSK-NEWSRXKRSA-N 2 0 357.523 3.671 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc3cccnc32)C1 ZINC000650724141 938311253 /nfs/dbraw/zinc/31/12/53/938311253.db2.gz YQYHBMWSHHCHNZ-GUDVDZBRSA-N 2 0 359.901 3.749 20 0 FHADRP CC(C)n1cncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774376 938317083 /nfs/dbraw/zinc/31/70/83/938317083.db2.gz YMMALJADCLJMBN-HXUWFJFHSA-N 2 0 352.526 3.856 20 0 FHADRP Cc1cc2oc(=O)cc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)c2cc1C ZINC000728572281 938327549 /nfs/dbraw/zinc/32/75/49/938327549.db2.gz WOIWOGDIUXQOQS-UHFFFAOYSA-N 2 0 356.510 3.962 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583660557 938344975 /nfs/dbraw/zinc/34/49/75/938344975.db2.gz CEIZVNBUFGYQQN-NQIIRXRSSA-N 3 0 369.528 3.888 20 0 FHADRP Fc1ccccc1Oc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000650740678 938361616 /nfs/dbraw/zinc/36/16/16/938361616.db2.gz OCIDXFAYCCRGOJ-SESVDKBCSA-N 2 0 370.468 3.865 20 0 FHADRP COc1ccc([C@H]([NH2+]CCC2(C[NH3+])CC2)C(C)C)c(Br)c1 ZINC000650747363 938380029 /nfs/dbraw/zinc/38/00/29/938380029.db2.gz YHRDPZDNTDOEBG-MRXNPFEDSA-N 2 0 355.320 3.873 20 0 FHADRP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000650754470 938408248 /nfs/dbraw/zinc/40/82/48/938408248.db2.gz JVJLMJUFZQIECW-FUPPJEDESA-N 2 0 367.512 3.675 20 0 FHADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000151141408 938411116 /nfs/dbraw/zinc/41/11/16/938411116.db2.gz RBYWUWSMQCVKDU-MRXNPFEDSA-N 2 0 367.940 3.765 20 0 FHADRP [NH3+]Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000650755894 938411822 /nfs/dbraw/zinc/41/18/22/938411822.db2.gz PBOHERNGINIBQU-YMPZKCBVSA-N 2 0 367.512 3.817 20 0 FHADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583895285 938471171 /nfs/dbraw/zinc/47/11/71/938471171.db2.gz FWSJVXXQVLGOQI-YLJYHZDGSA-N 2 0 354.469 3.933 20 0 FHADRP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813587 938517788 /nfs/dbraw/zinc/51/77/88/938517788.db2.gz SWJHDZPYMFQILR-UHFFFAOYSA-N 2 0 360.452 3.567 20 0 FHADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000657813834 938529207 /nfs/dbraw/zinc/52/92/07/938529207.db2.gz AZIXPMKGRKABBP-UHFFFAOYSA-N 2 0 352.526 3.607 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000657815240 938534094 /nfs/dbraw/zinc/53/40/94/938534094.db2.gz NOHQBCKICKJCLR-CVDCTZTESA-N 3 0 355.570 3.751 20 0 FHADRP OC1CCN(CCC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000151376041 938534683 /nfs/dbraw/zinc/53/46/83/938534683.db2.gz PTFUWGZCBAWTBT-QHCPKHFHSA-N 2 0 366.549 3.667 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000657825919 938593731 /nfs/dbraw/zinc/59/37/31/938593731.db2.gz FXQSTSLABDMJPF-JOCHJYFZSA-N 2 0 360.542 3.594 20 0 FHADRP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657831609 938616337 /nfs/dbraw/zinc/61/63/37/938616337.db2.gz CSVZQUSMOAOJQV-GOSISDBHSA-N 2 0 371.491 3.642 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657839344 938690860 /nfs/dbraw/zinc/69/08/60/938690860.db2.gz SJRWYQDJGZNFIY-MRXNPFEDSA-N 2 0 353.501 3.594 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)cc2)CC1 ZINC000657839279 938691667 /nfs/dbraw/zinc/69/16/67/938691667.db2.gz QWQQLOHJLXUXKP-MRXNPFEDSA-N 2 0 353.501 3.594 20 0 FHADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(C)c1OC ZINC000584366644 938711935 /nfs/dbraw/zinc/71/19/35/938711935.db2.gz CWHVKYRAQXHFHN-KRWDZBQOSA-N 2 0 372.509 3.803 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000151852022 938720814 /nfs/dbraw/zinc/72/08/14/938720814.db2.gz KPBGXOFGLZUSJX-QGZVFWFLSA-N 2 0 354.947 3.561 20 0 FHADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000438890900 945200124 /nfs/dbraw/zinc/20/01/24/945200124.db2.gz RGJYPUHBLJOQMW-FQEVSTJZSA-N 2 0 364.493 3.518 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000708530082 938802606 /nfs/dbraw/zinc/80/26/06/938802606.db2.gz WLWOEVXNYJJASM-GIVPXCGWSA-N 2 0 350.506 3.910 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285059 938899247 /nfs/dbraw/zinc/89/92/47/938899247.db2.gz VIMPVFFJNLUPJT-LJQANCHMSA-N 2 0 369.475 3.774 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(C)cc3)C3CC3)cn2)CC1 ZINC000091286984 938899536 /nfs/dbraw/zinc/89/95/36/938899536.db2.gz CPDGJYWFGNLIEK-HSZRJFAPSA-N 2 0 364.537 3.773 20 0 FHADRP C[C@@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)CN1CC[NH+](C)CC1 ZINC000091320514 938900153 /nfs/dbraw/zinc/90/01/53/938900153.db2.gz OGGNZWRCXIIHIC-KXBFYZLASA-N 2 0 369.475 3.630 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cn3)CC2)cc1 ZINC000092742921 938919200 /nfs/dbraw/zinc/91/92/00/938919200.db2.gz FBMZKGYCESVQBT-INIZCTEOSA-N 2 0 357.473 3.792 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000093970639 938932408 /nfs/dbraw/zinc/93/24/08/938932408.db2.gz ZDUSGVSYSUYBCX-UHFFFAOYSA-N 2 0 371.500 3.656 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000138351664 938938759 /nfs/dbraw/zinc/93/87/59/938938759.db2.gz UWSKWKHKKGHNDN-OAHLLOKOSA-N 2 0 367.331 3.554 20 0 FHADRP c1cc2c(cccc2C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000685441901 938986799 /nfs/dbraw/zinc/98/67/99/938986799.db2.gz FGBRIWCFYGDCSF-JOCHJYFZSA-N 2 0 374.532 3.560 20 0 FHADRP Cc1ccccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000076399933 938996401 /nfs/dbraw/zinc/99/64/01/938996401.db2.gz KYBCWMDVEXTYNY-UHFFFAOYSA-N 2 0 368.521 3.774 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000548851708 939009252 /nfs/dbraw/zinc/00/92/52/939009252.db2.gz DYUCEFAHTNHOIV-BMRADRMJSA-N 2 0 369.475 3.726 20 0 FHADRP C[C@H]([NH2+]CCc1c[nH]c2cccc(Br)c12)C1CC[NH+](C)CC1 ZINC000685658562 939009649 /nfs/dbraw/zinc/00/96/49/939009649.db2.gz SLSGBLKPJQMXBR-ZDUSSCGKSA-N 2 0 364.331 3.793 20 0 FHADRP c1cc2n(n1)CCC[C@H]2[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657970841 939013617 /nfs/dbraw/zinc/01/36/17/939013617.db2.gz HXGMJNNQLOATLP-XSDIEEQYSA-N 2 0 350.510 3.608 20 0 FHADRP C[C@@H](Cn1cncn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658004093 939018496 /nfs/dbraw/zinc/01/84/96/939018496.db2.gz BKHOLUIZYCSXNG-SIOWJKJVSA-N 2 0 373.932 3.524 20 0 FHADRP CCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066457 939021531 /nfs/dbraw/zinc/02/15/31/939021531.db2.gz AUEBRDGQIGURNU-AWEZNQCLSA-N 2 0 351.560 3.556 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nc2c(s1)CCCC2 ZINC000658068690 939021711 /nfs/dbraw/zinc/02/17/11/939021711.db2.gz YEZBKJFLBQVVPB-HNNXBMFYSA-N 2 0 363.571 3.564 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1OC(F)F ZINC000658069065 939021824 /nfs/dbraw/zinc/02/18/24/939021824.db2.gz KVPKNAGCKXHMCG-HNNXBMFYSA-N 2 0 368.468 3.830 20 0 FHADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCS2 ZINC000658069039 939021828 /nfs/dbraw/zinc/02/18/28/939021828.db2.gz KBAAYEAZDDWSOA-LJQANCHMSA-N 2 0 364.530 3.843 20 0 FHADRP Fc1ccc2c(c1Cl)[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000658071772 939021944 /nfs/dbraw/zinc/02/19/44/939021944.db2.gz YUUGXFAJAYDMHK-GOSISDBHSA-N 2 0 366.908 3.947 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658089624 939022203 /nfs/dbraw/zinc/02/22/03/939022203.db2.gz AKAWKWLVRYJCQD-NVXWUHKLSA-N 2 0 365.949 3.539 20 0 FHADRP Cc1ccccc1C1CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658135043 939029907 /nfs/dbraw/zinc/02/99/07/939029907.db2.gz CVSPWYSPBRIZAQ-LZBANZJXSA-N 2 0 350.506 3.597 20 0 FHADRP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C2CC2)cc1 ZINC000658134485 939030084 /nfs/dbraw/zinc/03/00/84/939030084.db2.gz AZYMLQARKQYJTG-GOTSBHOMSA-N 2 0 350.506 3.803 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142792 939035405 /nfs/dbraw/zinc/03/54/05/939035405.db2.gz WMZJVIIGHDVEQC-GGAORHGYSA-N 2 0 350.506 3.811 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)c1ccccc1 ZINC000658142143 939035624 /nfs/dbraw/zinc/03/56/24/939035624.db2.gz VBRKOFRAQOQURA-PGRDOPGGSA-N 2 0 352.522 3.709 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142253 939035990 /nfs/dbraw/zinc/03/59/90/939035990.db2.gz VGEYXMIBRUAXHA-UTKZUKDTSA-N 2 0 356.897 3.684 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143141 939036051 /nfs/dbraw/zinc/03/60/51/939036051.db2.gz WXWHGARUWNQLIW-UTKZUKDTSA-N 2 0 361.489 3.652 20 0 FHADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143490 939036616 /nfs/dbraw/zinc/03/66/16/939036616.db2.gz YYLWTVSPXYRHBA-ZDWFVDTJSA-N 2 0 368.496 3.806 20 0 FHADRP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C(C)C)cc1 ZINC000658137630 939041278 /nfs/dbraw/zinc/04/12/78/939041278.db2.gz KUCWNZQEWBOTKH-GMAHTHKFSA-N 2 0 368.521 3.749 20 0 FHADRP CC(C)C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccncc1 ZINC000658138193 939042399 /nfs/dbraw/zinc/04/23/99/939042399.db2.gz NBPVHTDGKWOCQJ-VXKWHMMOSA-N 2 0 353.510 3.525 20 0 FHADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658139512 939042967 /nfs/dbraw/zinc/04/29/67/939042967.db2.gz MHYLCLICLZYMRX-UZLBHIALSA-N 2 0 356.535 3.826 20 0 FHADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166243 939054107 /nfs/dbraw/zinc/05/41/07/939054107.db2.gz NFSFOCIVJHVTFW-NRFANRHFSA-N 2 0 351.494 3.579 20 0 FHADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000658167220 939054923 /nfs/dbraw/zinc/05/49/23/939054923.db2.gz QSVWNZNDLITMOX-OAQYLSRUSA-N 2 0 373.928 3.924 20 0 FHADRP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000658209777 939070038 /nfs/dbraw/zinc/07/00/38/939070038.db2.gz SEYNFKKFJQMRGW-PBHICJAKSA-N 2 0 351.332 3.844 20 0 FHADRP c1ccc(OCCCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506023550 945226797 /nfs/dbraw/zinc/22/67/97/945226797.db2.gz ZTSKCOMEZHRTNS-UHFFFAOYSA-N 2 0 360.542 3.670 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCCCC1 ZINC000658303605 939095568 /nfs/dbraw/zinc/09/55/68/939095568.db2.gz BZBAAOXYKLLLJI-PZJWPPBQSA-N 2 0 371.569 3.573 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658294086 939100805 /nfs/dbraw/zinc/10/08/05/939100805.db2.gz FXNHHIVDBVNWNZ-HXUWFJFHSA-N 2 0 365.606 3.509 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nsc3ccccc23)[C@H](C)C1 ZINC000658318860 939110809 /nfs/dbraw/zinc/11/08/09/939110809.db2.gz TURNBKNTDTUTIY-AEFFLSMTSA-N 2 0 361.555 3.565 20 0 FHADRP c1ccc(C[N@H+]2C[C@H](CNC3CC[NH+](CC4CC4)CC3)C3(CCC3)C2)cc1 ZINC000658319794 939111310 /nfs/dbraw/zinc/11/13/10/939111310.db2.gz IWGIGDAVYDCDTI-QFIPXVFZSA-N 2 0 367.581 3.753 20 0 FHADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000658337910 939115706 /nfs/dbraw/zinc/11/57/06/939115706.db2.gz AUKQLFZDPNVWHZ-DCLXLUIPSA-N 2 0 366.549 3.836 20 0 FHADRP COc1ccc([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccn2)cc1 ZINC000658352649 939123736 /nfs/dbraw/zinc/12/37/36/939123736.db2.gz HLAFUESQSXCHSM-QHCPKHFHSA-N 2 0 365.521 3.891 20 0 FHADRP CC(C)[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000658357578 939126124 /nfs/dbraw/zinc/12/61/24/939126124.db2.gz ULCSCWCXXHRNDE-FQEVSTJZSA-N 2 0 357.498 3.942 20 0 FHADRP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCCN2C)cn1 ZINC000375788475 939128814 /nfs/dbraw/zinc/12/88/14/939128814.db2.gz AHMYEYVCPMNXOV-CRAIPNDOSA-N 2 0 366.431 3.612 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000519225166 945232083 /nfs/dbraw/zinc/23/20/83/945232083.db2.gz WULDRDIGNRKCMV-AZUAARDMSA-N 2 0 351.579 3.610 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)N1CC[NH+](C)CC1 ZINC000132550277 939180946 /nfs/dbraw/zinc/18/09/46/939180946.db2.gz BWVCNZIWJOYPRM-ZWKOTPCHSA-N 2 0 367.990 3.739 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)nnn1-c1ccc(Cl)cc1 ZINC000507448944 945243235 /nfs/dbraw/zinc/24/32/35/945243235.db2.gz MASOTVWWKXUSQO-CQSZACIVSA-N 2 0 361.921 3.612 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414971567 945263792 /nfs/dbraw/zinc/26/37/92/945263792.db2.gz LPHHAISMUWDHIG-IBGZPJMESA-N 2 0 370.541 3.936 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427318534 945268116 /nfs/dbraw/zinc/26/81/16/945268116.db2.gz DNTLFZXVJXSZNX-ZCNNSNEGSA-N 2 0 371.569 3.561 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000511848607 945268166 /nfs/dbraw/zinc/26/81/66/945268166.db2.gz DNSAOCQNIUESJU-IBGZPJMESA-N 2 0 359.558 3.770 20 0 FHADRP COc1cc2c(cc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)O[C@@H](C)C2 ZINC000518267610 945271556 /nfs/dbraw/zinc/27/15/56/945271556.db2.gz NILCKVYUUOQGQS-KURKYZTESA-N 2 0 360.542 3.866 20 0 FHADRP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000414902870 945279837 /nfs/dbraw/zinc/27/98/37/945279837.db2.gz HUECJIPOIGAUHM-KRWDZBQOSA-N 2 0 352.404 3.575 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000506040041 945281209 /nfs/dbraw/zinc/28/12/09/945281209.db2.gz HDKMRIXNZVQUEU-QFIPXVFZSA-N 2 0 352.526 3.504 20 0 FHADRP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000375892646 940025674 /nfs/dbraw/zinc/02/56/74/940025674.db2.gz ZDWSAAGWIFOAJY-SJBKTWHCSA-N 2 0 351.494 3.590 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000507511160 945290454 /nfs/dbraw/zinc/29/04/54/945290454.db2.gz NZPZCHMODKQRGH-WMZOPIPTSA-N 2 0 363.512 3.893 20 0 FHADRP CCc1cccnc1[C@@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000507515191 945292025 /nfs/dbraw/zinc/29/20/25/945292025.db2.gz VDYKURFEFLAFJN-HXUWFJFHSA-N 2 0 366.553 3.503 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177298171 940093038 /nfs/dbraw/zinc/09/30/38/940093038.db2.gz DDEZOGDMASUAJQ-UHFFFAOYSA-N 2 0 361.530 3.627 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000531139992 940098824 /nfs/dbraw/zinc/09/88/24/940098824.db2.gz PUVXGRAJERBCFD-ZFWWWQNUSA-N 2 0 355.885 3.612 20 0 FHADRP c1nc2c(s1)C[NH+](CCCCCC[N@@H+]1CCc3ncsc3C1)CC2 ZINC000782634268 940238458 /nfs/dbraw/zinc/23/84/58/940238458.db2.gz NJXPOWZJSSNMHQ-UHFFFAOYSA-N 2 0 362.568 3.576 20 0 FHADRP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000376082354 940286032 /nfs/dbraw/zinc/28/60/32/940286032.db2.gz OABHCYBCDHGCNP-XMSQKQJNSA-N 2 0 369.553 3.545 20 0 FHADRP Fc1ccc(-c2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)on2)cc1 ZINC000466922189 940330183 /nfs/dbraw/zinc/33/01/83/940330183.db2.gz VHECLEQDKHWVPL-UHFFFAOYSA-N 2 0 373.472 3.558 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000376114721 940331029 /nfs/dbraw/zinc/33/10/29/940331029.db2.gz MMTWYQSIBNSFNW-WTSFKKHRSA-N 2 0 370.562 3.565 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000685847742 940454417 /nfs/dbraw/zinc/45/44/17/940454417.db2.gz DBICCCZYAXEMRE-QUCCMNQESA-N 2 0 363.590 3.539 20 0 FHADRP CC(C)[C@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000414059420 940468305 /nfs/dbraw/zinc/46/83/05/940468305.db2.gz IOEQCIBKADBRFM-PXNSSMCTSA-N 2 0 372.582 3.733 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070068 940476562 /nfs/dbraw/zinc/47/65/62/940476562.db2.gz RZHBXJSWDRDZED-TZIWHRDSSA-N 2 0 363.977 3.983 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414068445 940477384 /nfs/dbraw/zinc/47/73/84/940477384.db2.gz BBGJFDNGHQOGSN-AZUAARDMSA-N 2 0 350.934 3.660 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431764031 940481792 /nfs/dbraw/zinc/48/17/92/940481792.db2.gz YKIPERPOPXEWJW-KNQAVFIVSA-N 2 0 371.569 3.799 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414093422 940498197 /nfs/dbraw/zinc/49/81/97/940498197.db2.gz NYYYRHQTMLOCGT-MBPVOVBZSA-N 2 0 362.945 3.944 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414099143 940505272 /nfs/dbraw/zinc/50/52/72/940505272.db2.gz JJQNTJDGKTZREH-AZUAARDMSA-N 2 0 363.977 3.982 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414115325 940602838 /nfs/dbraw/zinc/60/28/38/940602838.db2.gz MVAOURFIRIHBOK-FPOVZHCZSA-N 2 0 363.977 3.983 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431803223 940608583 /nfs/dbraw/zinc/60/85/83/940608583.db2.gz XENZSXUXTHJQIY-JOCHJYFZSA-N 2 0 371.569 3.943 20 0 FHADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122367 940619483 /nfs/dbraw/zinc/61/94/83/940619483.db2.gz NWHUSYSQSFIEIR-TZIWHRDSSA-N 2 0 363.977 3.983 20 0 FHADRP CC(C)(CO)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccnc1 ZINC000660636878 945337479 /nfs/dbraw/zinc/33/74/79/945337479.db2.gz DLOAXHIUFWULAL-QFIPXVFZSA-N 2 0 367.537 3.917 20 0 FHADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414221435 940792100 /nfs/dbraw/zinc/79/21/00/940792100.db2.gz KWWXSFIBFFHUSS-ZECSIRQKSA-N 2 0 350.506 3.799 20 0 FHADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000443970114 945351130 /nfs/dbraw/zinc/35/11/30/945351130.db2.gz ZNVXWPNRCWEMNF-NRFANRHFSA-N 2 0 363.590 3.612 20 0 FHADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000660657485 945359075 /nfs/dbraw/zinc/35/90/75/945359075.db2.gz QNIJLIXKBUJVQO-QFIPXVFZSA-N 2 0 351.494 3.586 20 0 FHADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311458 940942741 /nfs/dbraw/zinc/94/27/41/940942741.db2.gz VARSNTAQIITCBA-VGOFRKELSA-N 2 0 368.496 3.676 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000423029873 940949685 /nfs/dbraw/zinc/94/96/85/940949685.db2.gz IWKAOOVWHUWCJQ-LRDDRELGSA-N 2 0 350.304 3.580 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000186283319 940974141 /nfs/dbraw/zinc/97/41/41/940974141.db2.gz KVQVQYRTANUCHL-KRWDZBQOSA-N 2 0 365.949 3.531 20 0 FHADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000892616064 940975525 /nfs/dbraw/zinc/97/55/25/940975525.db2.gz JGXHQOJBAHKFEK-QGZVFWFLSA-N 2 0 369.509 3.662 20 0 FHADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414328767 940980049 /nfs/dbraw/zinc/98/00/49/940980049.db2.gz QBPOAXGYHZEJRV-FGZHOGPDSA-N 2 0 371.569 3.688 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414333615 940993864 /nfs/dbraw/zinc/99/38/64/940993864.db2.gz ATHFXTMRZUJWLW-CZTZKLFOSA-N 2 0 367.512 3.905 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCC[C@H]1C ZINC000414340833 941006097 /nfs/dbraw/zinc/00/60/97/941006097.db2.gz NCICMGYYMFHAGZ-KGVIQGDOSA-N 2 0 371.569 3.688 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134315844 941012142 /nfs/dbraw/zinc/01/21/42/941012142.db2.gz WCORLAVOSSRVGB-KRWDZBQOSA-N 2 0 356.341 3.598 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134317453 941012517 /nfs/dbraw/zinc/01/25/17/941012517.db2.gz PXYBWSYADSCHMQ-SUMWQHHRSA-N 2 0 356.341 3.596 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414349232 941019673 /nfs/dbraw/zinc/01/96/73/941019673.db2.gz YDLMAGZOPILQEY-FQEVSTJZSA-N 2 0 371.550 3.686 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1)C(C)C ZINC000104405477 941058241 /nfs/dbraw/zinc/05/82/41/941058241.db2.gz YOVXISGADFNOQL-UHFFFAOYSA-N 2 0 357.542 3.617 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1OC ZINC000647542862 941062483 /nfs/dbraw/zinc/06/24/83/941062483.db2.gz CZTGPTCLJSUXOJ-GJZGRUSLSA-N 2 0 352.906 3.569 20 0 FHADRP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889335 941067818 /nfs/dbraw/zinc/06/78/18/941067818.db2.gz CZOSWPWXEWSXGC-IBGZPJMESA-N 2 0 363.590 3.754 20 0 FHADRP Brc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCC2)c1 ZINC000647549212 941070976 /nfs/dbraw/zinc/07/09/76/941070976.db2.gz NYYGBKOBRKRHJK-HDMKZQKVSA-N 2 0 363.343 3.849 20 0 FHADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000414380826 941073275 /nfs/dbraw/zinc/07/32/75/941073275.db2.gz OXBKQZMRKWGCEU-OALUTQOASA-N 2 0 370.459 3.871 20 0 FHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549083699 941078984 /nfs/dbraw/zinc/07/89/84/941078984.db2.gz VMHJZEMLQLUADO-UHFFFAOYSA-N 2 0 371.569 3.867 20 0 FHADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177479516 941128394 /nfs/dbraw/zinc/12/83/94/941128394.db2.gz RQZGGHQPXBOLEY-GCJKJVERSA-N 2 0 365.521 3.531 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000659286952 941147457 /nfs/dbraw/zinc/14/74/57/941147457.db2.gz UBHILLCREKCJID-VGSWGCGISA-N 2 0 363.505 3.563 20 0 FHADRP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C1CCOCC1 ZINC000188005791 941247952 /nfs/dbraw/zinc/24/79/52/941247952.db2.gz QFDASTOGZOJWLJ-JOCHJYFZSA-N 2 0 360.542 3.594 20 0 FHADRP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121111 941265319 /nfs/dbraw/zinc/26/53/19/941265319.db2.gz OGBNGTOXCREPPR-UONOGXRCSA-N 2 0 357.311 3.841 20 0 FHADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000311479445 941305823 /nfs/dbraw/zinc/30/58/23/941305823.db2.gz HHVPXWOZGGJFLS-DYESRHJHSA-N 2 0 360.448 3.500 20 0 FHADRP c1cncc(CN2CCC[C@@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673507 941377218 /nfs/dbraw/zinc/37/72/18/941377218.db2.gz RBGKEJAWNVASDD-SIKLNZKXSA-N 2 0 350.510 3.820 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)CCCC[NH3+])c2)cc1 ZINC000415016369 941542893 /nfs/dbraw/zinc/54/28/93/941542893.db2.gz PGBCFZPDDHBERC-MRXNPFEDSA-N 2 0 355.482 3.555 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415017468 941543179 /nfs/dbraw/zinc/54/31/79/941543179.db2.gz RYPGKLMUABIWCQ-JTQLQIEISA-N 2 0 369.225 3.955 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(Cl)c1 ZINC000415019912 941545082 /nfs/dbraw/zinc/54/50/82/941545082.db2.gz FLDDNHBFCAVKSP-JYJNAYRXSA-N 2 0 351.922 3.720 20 0 FHADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042588 941562716 /nfs/dbraw/zinc/56/27/16/941562716.db2.gz RCNQLPUQGZKVRI-JSGCOSHPSA-N 2 0 351.903 3.593 20 0 FHADRP CO[C@@]1(C)CCC[NH+](CCCCC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000377212726 941569115 /nfs/dbraw/zinc/56/91/15/941569115.db2.gz CUSQQRYBMUXLBM-SFTDATJTSA-N 2 0 354.579 3.939 20 0 FHADRP c1ccc(COc2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)nc1 ZINC000415060225 941571920 /nfs/dbraw/zinc/57/19/20/941571920.db2.gz YMWIQZSWZFUEFK-UGKGYDQZSA-N 2 0 351.494 3.625 20 0 FHADRP COc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c(SC)cc1OC ZINC000415061950 941580234 /nfs/dbraw/zinc/58/02/34/941580234.db2.gz ZHGYTRXCAQBUGJ-QGZVFWFLSA-N 2 0 360.523 3.996 20 0 FHADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000415088470 941597271 /nfs/dbraw/zinc/59/72/71/941597271.db2.gz MAYUEOIRUZAIPO-YJBOKZPZSA-N 2 0 370.459 3.874 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106542 941602117 /nfs/dbraw/zinc/60/21/17/941602117.db2.gz JRGVDSKWQPAONT-MSOLQXFVSA-N 2 0 356.432 3.732 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000415102294 941604408 /nfs/dbraw/zinc/60/44/08/941604408.db2.gz DJXMMQGDQHZAAR-HOCLYGCPSA-N 2 0 373.360 3.537 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000415104010 941606107 /nfs/dbraw/zinc/60/61/07/941606107.db2.gz GHFSHXJATAXNBL-MOPGFXCFSA-N 2 0 354.897 3.630 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)sc1Br ZINC000415110465 941610875 /nfs/dbraw/zinc/61/08/75/941610875.db2.gz PBWGDJYMMMPLAF-GJZGRUSLSA-N 2 0 373.360 3.537 20 0 FHADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415126030 941615409 /nfs/dbraw/zinc/61/54/09/941615409.db2.gz LWMRNFRGCQOBKX-DYESRHJHSA-N 2 0 369.557 3.550 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)sc1Br ZINC000415119932 941617402 /nfs/dbraw/zinc/61/74/02/941617402.db2.gz FWGZAINFONLPFB-UKRRQHHQSA-N 2 0 373.360 3.537 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000415122050 941618624 /nfs/dbraw/zinc/61/86/24/941618624.db2.gz JHDYMAAOSKUYNE-KNQAVFIVSA-N 2 0 358.526 3.726 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c2ccccc12 ZINC000415122865 941619064 /nfs/dbraw/zinc/61/90/64/941619064.db2.gz IUSJPEBEFFYKGY-IRLDBZIGSA-N 2 0 354.494 3.567 20 0 FHADRP NC1(C[NH2+]Cc2csc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000415123710 941619861 /nfs/dbraw/zinc/61/98/61/941619861.db2.gz BAVSOGGZWPGCRB-UHFFFAOYSA-N 2 0 365.546 3.984 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134882 941621750 /nfs/dbraw/zinc/62/17/50/941621750.db2.gz WHHOSENWFBLWQV-DOTOQJQBSA-N 2 0 360.523 3.752 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127783 941622606 /nfs/dbraw/zinc/62/26/06/941622606.db2.gz RGMUOVYZUKFZCD-LPHOPBHVSA-N 2 0 359.901 3.607 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)C1 ZINC000415127785 941622710 /nfs/dbraw/zinc/62/27/10/941622710.db2.gz RGMUOVYZUKFZCD-VQIMIIECSA-N 2 0 359.901 3.607 20 0 FHADRP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCc1ccccc1 ZINC000415130420 941623562 /nfs/dbraw/zinc/62/35/62/941623562.db2.gz RAPGVMNTTZTUGC-YLJYHZDGSA-N 2 0 354.494 3.691 20 0 FHADRP CCC[C@H](Cc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415133507 941625187 /nfs/dbraw/zinc/62/51/87/941625187.db2.gz NDHZPGYVTUGYOX-HSZRJFAPSA-N 2 0 365.565 3.981 20 0 FHADRP C[C@H](CCc1ccccc1F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415131922 941625229 /nfs/dbraw/zinc/62/52/29/941625229.db2.gz KFTCMFVLOLPPTL-LJQANCHMSA-N 2 0 369.528 3.730 20 0 FHADRP [NH3+]C1(CNCc2ccc(Cl)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415135752 941625911 /nfs/dbraw/zinc/62/59/11/941625911.db2.gz QLFHAZLCEAJRDH-UHFFFAOYSA-N 2 0 361.892 3.562 20 0 FHADRP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513162403 941701543 /nfs/dbraw/zinc/70/15/43/941701543.db2.gz YASJZHZZAUAUEI-JKWVGCSGSA-N 2 0 374.569 3.589 20 0 FHADRP CC(C)(C)Nc1nc(Cl)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204734764 941744361 /nfs/dbraw/zinc/74/43/61/941744361.db2.gz DSKDUETYCJWHFI-UHFFFAOYSA-N 2 0 356.967 3.973 20 0 FHADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000513203951 941779375 /nfs/dbraw/zinc/77/93/75/941779375.db2.gz NBBFNEXKYXHBPT-UHFFFAOYSA-N 2 0 365.606 3.653 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4cccc(F)c4C)o3)C2)CC1 ZINC000093132777 941808406 /nfs/dbraw/zinc/80/84/06/941808406.db2.gz JROKWTFPXVOZDF-SFHVURJKSA-N 2 0 371.500 3.606 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000644522412 941821394 /nfs/dbraw/zinc/82/13/94/941821394.db2.gz UZHYTCXNXSWEPY-SFHVURJKSA-N 2 0 366.509 3.574 20 0 FHADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000513330370 941856527 /nfs/dbraw/zinc/85/65/27/941856527.db2.gz KUUSQMMIWZUHLN-SJLPKXTDSA-N 2 0 350.576 3.602 20 0 FHADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)C[C@H](C)O1 ZINC000467194839 941898588 /nfs/dbraw/zinc/89/85/88/941898588.db2.gz DNGFAORTFVQYCZ-ZVDOUQERSA-N 2 0 364.574 3.690 20 0 FHADRP Cc1cn2c(C[N@@H+](C)C3CCN(c4cc[nH+]cc4)CC3)c(C)nc2s1 ZINC000377692532 941906001 /nfs/dbraw/zinc/90/60/01/941906001.db2.gz JEHUJEYHXXPIIO-UHFFFAOYSA-N 2 0 355.511 3.508 20 0 FHADRP CC(C)c1nccn1C[C@@H]1CCCN1Cc1nc(-c2ccsc2)no1 ZINC000377716132 941927584 /nfs/dbraw/zinc/92/75/84/941927584.db2.gz FKENUQLMXWCZPV-HNNXBMFYSA-N 2 0 357.483 3.783 20 0 FHADRP C[C@@H]1C[C@H](NC[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462628 941941191 /nfs/dbraw/zinc/94/11/91/941941191.db2.gz FVJMQKWQFQCPSP-UEVCKROQSA-N 2 0 351.538 3.932 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)c1 ZINC000460662450 941943001 /nfs/dbraw/zinc/94/30/01/941943001.db2.gz GLNFEMDWRDZZIA-FQEVSTJZSA-N 2 0 359.558 3.655 20 0 FHADRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(c4ccccc4Cl)C3)ccn2)CC1 ZINC000509938609 941985535 /nfs/dbraw/zinc/98/55/35/941985535.db2.gz KLWUVFLPAGELLA-UHFFFAOYSA-N 2 0 370.928 3.523 20 0 FHADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000377807177 942004617 /nfs/dbraw/zinc/00/46/17/942004617.db2.gz OCSKFBTUFGLTNC-IBGZPJMESA-N 2 0 366.553 3.836 20 0 FHADRP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000433956984 942016679 /nfs/dbraw/zinc/01/66/79/942016679.db2.gz GKIAVDAQTBXVMY-KVJIRVJXSA-N 2 0 374.573 3.756 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000513627714 942053170 /nfs/dbraw/zinc/05/31/70/942053170.db2.gz XSTLQRDLPAVILM-FGZHOGPDSA-N 2 0 365.521 3.704 20 0 FHADRP CCc1nn(C)c(OC)c1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000513667430 942064323 /nfs/dbraw/zinc/06/43/23/942064323.db2.gz RNYKDUFXKJKWIQ-UHFFFAOYSA-N 2 0 370.541 3.524 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513666251 942064446 /nfs/dbraw/zinc/06/44/46/942064446.db2.gz KIEQPVNQNBRHBU-YPAWHYETSA-N 2 0 352.526 3.576 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000415901938 942121015 /nfs/dbraw/zinc/12/10/15/942121015.db2.gz NVZZNBPSJRONJH-INIZCTEOSA-N 2 0 372.538 3.501 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccccc2C[NH2+]C)cc1 ZINC000415894971 942122202 /nfs/dbraw/zinc/12/22/02/942122202.db2.gz ATBTYHJHFJYWFB-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000415912855 942136502 /nfs/dbraw/zinc/13/65/02/942136502.db2.gz NAIXGSJBCAMBIN-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415925703 942154881 /nfs/dbraw/zinc/15/48/81/942154881.db2.gz BLFWMZGKAYHNDS-UZLBHIALSA-N 2 0 354.498 3.527 20 0 FHADRP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000415925987 942155104 /nfs/dbraw/zinc/15/51/04/942155104.db2.gz CDSZXJYVJKTAFY-OAQYLSRUSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000415918820 942156084 /nfs/dbraw/zinc/15/60/84/942156084.db2.gz LVGAZDDXAIRGGS-INIZCTEOSA-N 2 0 354.498 3.657 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415926483 942162223 /nfs/dbraw/zinc/16/22/23/942162223.db2.gz ZKGIZJQNLGJWIL-SJLPKXTDSA-N 2 0 358.530 3.571 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000415927032 942162779 /nfs/dbraw/zinc/16/27/79/942162779.db2.gz VZOSJBSTBPVPSK-NRFANRHFSA-N 2 0 368.525 3.684 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000415941014 942171998 /nfs/dbraw/zinc/17/19/98/942171998.db2.gz FZZNMDRZLAQRDO-NRFANRHFSA-N 2 0 368.525 3.783 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000415941987 942172637 /nfs/dbraw/zinc/17/26/37/942172637.db2.gz HSPXJDXKWYNAEM-NRFANRHFSA-N 2 0 366.509 3.755 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000415960860 942199823 /nfs/dbraw/zinc/19/98/23/942199823.db2.gz OFEWRYLOBAANRF-JOCHJYFZSA-N 2 0 366.509 3.582 20 0 FHADRP [NH3+]Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000415963664 942203849 /nfs/dbraw/zinc/20/38/49/942203849.db2.gz VIIOLDIZRNHQOH-UHFFFAOYSA-N 2 0 374.488 3.648 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000415967290 942206293 /nfs/dbraw/zinc/20/62/93/942206293.db2.gz BCSZYVQXKRTMQJ-QGZVFWFLSA-N 2 0 372.538 3.501 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)C1 ZINC000415973234 942209665 /nfs/dbraw/zinc/20/96/65/942209665.db2.gz JGGDBCVSCIYMRY-KRWDZBQOSA-N 2 0 366.509 3.699 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000415975769 942228297 /nfs/dbraw/zinc/22/82/97/942228297.db2.gz UOMIOORAISCJEN-INIZCTEOSA-N 2 0 354.498 3.657 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000415986639 942228815 /nfs/dbraw/zinc/22/88/15/942228815.db2.gz VCXYHUQCGHPFLW-LJQANCHMSA-N 2 0 372.538 3.552 20 0 FHADRP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415986425 942234696 /nfs/dbraw/zinc/23/46/96/942234696.db2.gz UTEYQELXZBHSKO-UHFFFAOYSA-N 2 0 360.546 3.772 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[S@](=O)C(C)(C)C)CC1 ZINC000280705095 942236055 /nfs/dbraw/zinc/23/60/55/942236055.db2.gz AVQCNCSWTDWMHK-MORLXBONSA-N 2 0 350.572 3.566 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000501009292 942255640 /nfs/dbraw/zinc/25/56/40/942255640.db2.gz AYDBOROLGDPPKQ-SFHVURJKSA-N 2 0 357.464 3.686 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3ccccc3Cl)CC2)CC1 ZINC000420984116 942281421 /nfs/dbraw/zinc/28/14/21/942281421.db2.gz SJPREFSMRMHWFC-UHFFFAOYSA-N 2 0 363.977 3.765 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000420974394 942286443 /nfs/dbraw/zinc/28/64/43/942286443.db2.gz DNPBSXJIBDKIHN-NRFANRHFSA-N 2 0 361.961 3.819 20 0 FHADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1OC ZINC000501105695 942309655 /nfs/dbraw/zinc/30/96/55/942309655.db2.gz LACCXMGRWLFBFR-FQEVSTJZSA-N 2 0 361.574 3.884 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000502271599 942323381 /nfs/dbraw/zinc/32/33/81/942323381.db2.gz FZAPOKOTHMDVKB-NRFANRHFSA-N 2 0 360.542 3.846 20 0 FHADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000378180243 942358381 /nfs/dbraw/zinc/35/83/81/942358381.db2.gz SJWUTKGEDMOJBC-VNQPRFMTSA-N 2 0 355.979 3.509 20 0 FHADRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(F)cc1F ZINC000378182731 942359688 /nfs/dbraw/zinc/35/96/88/942359688.db2.gz KEBKSJXFRPQRMC-INIZCTEOSA-N 2 0 365.512 3.812 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659908429 942395715 /nfs/dbraw/zinc/39/57/15/942395715.db2.gz FKOVVMZFWNYNRX-MZYLBHOOSA-N 2 0 355.570 3.672 20 0 FHADRP FC(F)(F)COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513713230 942446834 /nfs/dbraw/zinc/44/68/34/942446834.db2.gz MMNOSDOEEFSGIU-GUDVDZBRSA-N 2 0 370.459 3.846 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cc1OC ZINC000502466554 942466677 /nfs/dbraw/zinc/46/66/77/942466677.db2.gz XCZGCAYZSCBYIW-INIZCTEOSA-N 2 0 374.500 3.934 20 0 FHADRP CCc1ccc([C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[NH+](C)C)cc1 ZINC000041799869 942521090 /nfs/dbraw/zinc/52/10/90/942521090.db2.gz BFWZKSXMIFNVMJ-HXUWFJFHSA-N 2 0 371.525 3.717 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)c3cc(F)cc(F)c3)CC2)CC1 ZINC000421375482 942526812 /nfs/dbraw/zinc/52/68/12/942526812.db2.gz PFEDCKLGGATDOK-KRWDZBQOSA-N 2 0 365.512 3.560 20 0 FHADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000421402313 942533391 /nfs/dbraw/zinc/53/33/91/942533391.db2.gz MLJNCJXVVXJTFK-QGZVFWFLSA-N 2 0 354.579 3.839 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000501534693 942535206 /nfs/dbraw/zinc/53/52/06/942535206.db2.gz UZBMOHJIFUUSGS-OALUTQOASA-N 2 0 374.573 3.591 20 0 FHADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414839321 942550020 /nfs/dbraw/zinc/55/00/20/942550020.db2.gz VYYPQBWNFDREOA-INIZCTEOSA-N 2 0 352.507 3.690 20 0 FHADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000237076025 942578479 /nfs/dbraw/zinc/57/84/79/942578479.db2.gz VYTJSYMJJPBVQK-LJQANCHMSA-N 2 0 360.505 3.971 20 0 FHADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513919922 942595321 /nfs/dbraw/zinc/59/53/21/942595321.db2.gz HAYZTQMWHPEQOR-IEBWSBKVSA-N 2 0 359.558 3.570 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295878 942599030 /nfs/dbraw/zinc/59/90/30/942599030.db2.gz BBVZVIWWANSQGQ-UWJYYQICSA-N 2 0 370.493 3.592 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000420280693 942602293 /nfs/dbraw/zinc/60/22/93/942602293.db2.gz ZDLBNWPVUNHNFK-UHFFFAOYSA-N 2 0 360.914 3.887 20 0 FHADRP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420299773 942609946 /nfs/dbraw/zinc/60/99/46/942609946.db2.gz UJPUYOIORRNAGX-LAUBAEHRSA-N 2 0 351.494 3.734 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1F ZINC000647900435 942610032 /nfs/dbraw/zinc/61/00/32/942610032.db2.gz BRSKYEUWYJQDAI-PKOBYXMFSA-N 2 0 372.488 3.581 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000420299596 942610174 /nfs/dbraw/zinc/61/01/74/942610174.db2.gz JBIJDYXZRDTNLU-JOCHJYFZSA-N 2 0 368.521 3.666 20 0 FHADRP O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420307581 942613239 /nfs/dbraw/zinc/61/32/39/942613239.db2.gz RLRQBWOXDTYIQN-AWEZNQCLSA-N 2 0 367.896 3.519 20 0 FHADRP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420316747 942618088 /nfs/dbraw/zinc/61/80/88/942618088.db2.gz NOHBHTRENOZUMF-SPEDKVCISA-N 2 0 359.473 3.633 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342580 942619163 /nfs/dbraw/zinc/61/91/63/942619163.db2.gz OZOYAADPSDMXTH-OGHNNQOOSA-N 2 0 352.935 3.869 20 0 FHADRP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420320447 942619960 /nfs/dbraw/zinc/61/99/60/942619960.db2.gz QFFLJDMXVPZOIQ-VFNWGFHPSA-N 2 0 372.534 3.712 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320348 942621007 /nfs/dbraw/zinc/62/10/07/942621007.db2.gz BIZLDAOENQGXQP-USXIJHARSA-N 2 0 358.461 3.567 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000420325405 942628705 /nfs/dbraw/zinc/62/87/05/942628705.db2.gz WCDLIKOLYZAZFQ-HUUCEWRRSA-N 2 0 351.450 3.673 20 0 FHADRP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333576 942631989 /nfs/dbraw/zinc/63/19/89/942631989.db2.gz FIZHYHPRDRTATJ-URVUXULASA-N 2 0 363.505 3.688 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000420334445 942632450 /nfs/dbraw/zinc/63/24/50/942632450.db2.gz OGUXHTUNDWWCSM-AEFFLSMTSA-N 2 0 354.947 3.650 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000501736382 942642515 /nfs/dbraw/zinc/64/25/15/942642515.db2.gz RLRFWJAYAMQHNQ-FQEVSTJZSA-N 2 0 361.530 3.657 20 0 FHADRP C[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367900 942642586 /nfs/dbraw/zinc/64/25/86/942642586.db2.gz AIMFXHXUQUXQML-XWIAVFTESA-N 2 0 367.331 3.728 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cnn(C2CCCC2)c1 ZINC000502686737 942645629 /nfs/dbraw/zinc/64/56/29/942645629.db2.gz NSIJOQVUDDINOA-QGZVFWFLSA-N 2 0 356.514 3.789 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420380419 942647216 /nfs/dbraw/zinc/64/72/16/942647216.db2.gz OCMIQVXEJYCCJI-ZTNFWEORSA-N 2 0 355.482 3.621 20 0 FHADRP C[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420381771 942647581 /nfs/dbraw/zinc/64/75/81/942647581.db2.gz PBVKFTXZFHLYPC-XWIAVFTESA-N 2 0 367.331 3.728 20 0 FHADRP CC(C)(C)c1cccc(OCC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420384899 942649077 /nfs/dbraw/zinc/64/90/77/942649077.db2.gz HENNXZQJNOZZGV-TZIWHRDSSA-N 2 0 360.542 3.581 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420388527 942650662 /nfs/dbraw/zinc/65/06/62/942650662.db2.gz LDGAXBHEJGZLRH-DDUZABMNSA-N 2 0 367.331 3.728 20 0 FHADRP CC(C)(C)c1ccc(OCCC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420391114 942651925 /nfs/dbraw/zinc/65/19/25/942651925.db2.gz OBQQHSHLUIMSGW-IRLDBZIGSA-N 2 0 374.569 3.971 20 0 FHADRP CCN1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420414594 942656818 /nfs/dbraw/zinc/65/68/18/942656818.db2.gz UMNNSMFGLOEESV-MOPGFXCFSA-N 2 0 353.913 3.594 20 0 FHADRP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000501770927 942660134 /nfs/dbraw/zinc/66/01/34/942660134.db2.gz RANSZRJPSXABPL-LJQANCHMSA-N 2 0 359.558 3.534 20 0 FHADRP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000420409526 942665108 /nfs/dbraw/zinc/66/51/08/942665108.db2.gz XESHWCGJWBTYSZ-GUYCJALGSA-N 2 0 370.324 3.786 20 0 FHADRP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647902092 942665900 /nfs/dbraw/zinc/66/59/00/942665900.db2.gz ZWWSJSQCWHCOED-IRLDBZIGSA-N 2 0 363.505 3.903 20 0 FHADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000501784242 942671304 /nfs/dbraw/zinc/67/13/04/942671304.db2.gz DKWLCPWNGWDFME-UHFFFAOYSA-N 2 0 354.498 3.823 20 0 FHADRP CCC[C@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501787555 942672475 /nfs/dbraw/zinc/67/24/75/942672475.db2.gz YUQBFGCORVGFGJ-NRFANRHFSA-N 2 0 359.558 3.698 20 0 FHADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000502742524 942695296 /nfs/dbraw/zinc/69/52/96/942695296.db2.gz VZHFHXOQDMKRQT-UFYCRDLUSA-N 2 0 351.579 3.752 20 0 FHADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000502723880 942696289 /nfs/dbraw/zinc/69/62/89/942696289.db2.gz SGFRUESFLWOYRB-IFMALSPDSA-N 2 0 360.542 3.702 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H]4CCC[C@H]43)cc2)C1 ZINC000514090695 942741764 /nfs/dbraw/zinc/74/17/64/942741764.db2.gz WFJQPIPBNMGCCH-MSYGRNIXSA-N 3 0 355.570 3.881 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000514094550 942744113 /nfs/dbraw/zinc/74/41/13/942744113.db2.gz KRRHJTRTRGQRRZ-TZIWHRDSSA-N 2 0 352.563 3.896 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(C)c1OC ZINC000514105579 942749052 /nfs/dbraw/zinc/74/90/52/942749052.db2.gz SGAUAABASSMFCN-QGZVFWFLSA-N 2 0 372.509 3.803 20 0 FHADRP Clc1ccc(OCc2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414847666 942774744 /nfs/dbraw/zinc/77/47/44/942774744.db2.gz WDRALVXZISILIH-AWEZNQCLSA-N 2 0 365.930 3.855 20 0 FHADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccncc1Cl ZINC000421818393 942845541 /nfs/dbraw/zinc/84/55/41/942845541.db2.gz AQLKLLJVSRAAJE-DYESRHJHSA-N 2 0 372.944 3.764 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000421861807 942851641 /nfs/dbraw/zinc/85/16/41/942851641.db2.gz WISNVQHSBDSLRT-SFHVURJKSA-N 2 0 352.519 3.702 20 0 FHADRP Clc1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414850582 942867459 /nfs/dbraw/zinc/86/74/59/942867459.db2.gz ZEYWLLOYJDVFRJ-MRXNPFEDSA-N 2 0 359.901 3.793 20 0 FHADRP Cc1nc2ccccc2nc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378539544 942871938 /nfs/dbraw/zinc/87/19/38/942871938.db2.gz OBGBHVMDZQKZLQ-UHFFFAOYSA-N 2 0 361.493 3.682 20 0 FHADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000378616451 942965415 /nfs/dbraw/zinc/96/54/15/942965415.db2.gz OTURMUWVIWYGFF-XLIONFOSSA-N 2 0 366.509 3.603 20 0 FHADRP COc1cc2[nH+]ccc(N3CCC([NH+](C)C)CC3)c2cc1Br ZINC000425210415 942995572 /nfs/dbraw/zinc/99/55/72/942995572.db2.gz ULOLHHLZSYRTBC-UHFFFAOYSA-N 2 0 364.287 3.536 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000271709304 943038205 /nfs/dbraw/zinc/03/82/05/943038205.db2.gz MNMIAOSCLIHLNY-JECHBYEQSA-N 2 0 372.340 3.604 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414859221 943061160 /nfs/dbraw/zinc/06/11/60/943061160.db2.gz SZHZQKGCRSNFRU-ZYHUDNBSSA-N 2 0 363.246 3.528 20 0 FHADRP O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000272239928 943119837 /nfs/dbraw/zinc/11/98/37/943119837.db2.gz VEPVCKVYDNGEGK-NHCUHLMSSA-N 2 0 370.541 3.540 20 0 FHADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000414662289 943144421 /nfs/dbraw/zinc/14/44/21/943144421.db2.gz QXCFIYICPCNQHK-MJGOQNOKSA-N 2 0 354.542 3.788 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000414663850 943151334 /nfs/dbraw/zinc/15/13/34/943151334.db2.gz RYBAPJOXWVAUEB-MAUKXSAKSA-N 2 0 358.457 3.582 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000414672492 943191254 /nfs/dbraw/zinc/19/12/54/943191254.db2.gz PNHWTENFKVMYAI-FFZOFVMBSA-N 2 0 362.477 3.610 20 0 FHADRP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272648846 943193136 /nfs/dbraw/zinc/19/31/36/943193136.db2.gz JTUFACAGJOHEBD-PZJWPPBQSA-N 2 0 371.569 3.524 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000272733781 943212135 /nfs/dbraw/zinc/21/21/35/943212135.db2.gz JHUWWUBRWTZTHQ-YADHBBJMSA-N 2 0 354.469 3.633 20 0 FHADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000272765159 943216128 /nfs/dbraw/zinc/21/61/28/943216128.db2.gz WIEPILBPJQJCLB-UHFFFAOYSA-N 2 0 358.555 3.744 20 0 FHADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000514687644 943216287 /nfs/dbraw/zinc/21/62/87/943216287.db2.gz UDQSCVDDHPUBHV-OLZOCXBDSA-N 2 0 368.294 3.950 20 0 FHADRP [NH3+]CCCOC1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000388159335 943235682 /nfs/dbraw/zinc/23/56/82/943235682.db2.gz IDDINWHQTDVSIG-UHFFFAOYSA-N 2 0 363.354 3.915 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422698739 943237010 /nfs/dbraw/zinc/23/70/10/943237010.db2.gz AUAAIUQNIIHXKP-HYVNUMGLSA-N 2 0 350.890 3.512 20 0 FHADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422700227 943237536 /nfs/dbraw/zinc/23/75/36/943237536.db2.gz BTIFBMIROUIXEM-LBPRGKRZSA-N 2 0 363.889 3.760 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000422706845 943241392 /nfs/dbraw/zinc/24/13/92/943241392.db2.gz GEKBCOSVEMBFCM-PDGJWGCVSA-N 2 0 371.569 3.733 20 0 FHADRP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422706256 943241415 /nfs/dbraw/zinc/24/14/15/943241415.db2.gz UBXBSCDXLPDLIH-DJIMGWMZSA-N 2 0 355.295 3.641 20 0 FHADRP COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422691486 943246919 /nfs/dbraw/zinc/24/69/19/943246919.db2.gz IKOHDPNWNCJPOG-PWRODBHTSA-N 2 0 367.493 3.893 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422732259 943249862 /nfs/dbraw/zinc/24/98/62/943249862.db2.gz NUCADBAYYAGJMZ-GFCCVEGCSA-N 2 0 353.388 3.641 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734750 943251408 /nfs/dbraw/zinc/25/14/08/943251408.db2.gz TXNNTEPMGWNATK-KBXCAEBGSA-N 2 0 356.341 3.675 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422714788 943254023 /nfs/dbraw/zinc/25/40/23/943254023.db2.gz RNFBHBTZNJFATA-XLIONFOSSA-N 2 0 355.457 3.685 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Br)s1 ZINC000422723109 943259193 /nfs/dbraw/zinc/25/91/93/943259193.db2.gz ZPFLOUMVEGVQDJ-WFASDCNBSA-N 2 0 353.329 3.601 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC000422758766 943263271 /nfs/dbraw/zinc/26/32/71/943263271.db2.gz JWRCVEJOWONGLK-OLZOCXBDSA-N 2 0 362.315 3.893 20 0 FHADRP C[C@@H]([NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422744547 943269567 /nfs/dbraw/zinc/26/95/67/943269567.db2.gz TVUBJURPJUEFNR-DSZLRUIBSA-N 2 0 355.345 3.820 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)COCc1ccccc1 ZINC000422765741 943274514 /nfs/dbraw/zinc/27/45/14/943274514.db2.gz REBKOAAGTAWJJU-JMUQELJHSA-N 2 0 366.505 3.685 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422756824 943274766 /nfs/dbraw/zinc/27/47/66/943274766.db2.gz IDYDLCFGJSNIER-DDBAPUKQSA-N 2 0 355.448 3.558 20 0 FHADRP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768275 943275444 /nfs/dbraw/zinc/27/54/44/943275444.db2.gz RXXXUEOASCRAGR-FXAWDEMLSA-N 2 0 358.869 3.694 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422769163 943276396 /nfs/dbraw/zinc/27/63/96/943276396.db2.gz USAJXNYXYKMQJP-HNNXBMFYSA-N 2 0 358.448 3.861 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093006878 943277720 /nfs/dbraw/zinc/27/77/20/943277720.db2.gz ZUFXLLXUMQMAHB-UHFFFAOYSA-N 2 0 354.542 3.982 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422777628 943278924 /nfs/dbraw/zinc/27/89/24/943278924.db2.gz FVUVYARBHBNBKN-PKTZIBPZSA-N 3 0 365.521 3.642 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422784654 943281832 /nfs/dbraw/zinc/28/18/32/943281832.db2.gz IZTCVJOLZRQBJA-AKIFATBCSA-N 2 0 366.553 3.949 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422786476 943283185 /nfs/dbraw/zinc/28/31/85/943283185.db2.gz OXVDRRDIPOTICY-XQAUZQBESA-N 2 0 356.441 3.741 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000422762925 943284312 /nfs/dbraw/zinc/28/43/12/943284312.db2.gz NCFPFHSMVCKWPK-QGZVFWFLSA-N 2 0 369.347 3.604 20 0 FHADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422795493 943286692 /nfs/dbraw/zinc/28/66/92/943286692.db2.gz VSZVKKVMYKAXJH-PIPMEXSNSA-N 2 0 352.478 3.608 20 0 FHADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1cccc(OC)c1 ZINC000422800035 943288126 /nfs/dbraw/zinc/28/81/26/943288126.db2.gz ZEYFOIYGEPVSOY-AOMKIAJQSA-N 2 0 370.541 3.591 20 0 FHADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000422802863 943289473 /nfs/dbraw/zinc/28/94/73/943289473.db2.gz FELUGOJTGHRKDR-SLFFLAALSA-N 2 0 352.526 3.701 20 0 FHADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422812609 943292825 /nfs/dbraw/zinc/29/28/25/943292825.db2.gz XXIXXJLCEDEACI-GJULWVSJSA-N 2 0 365.477 3.552 20 0 FHADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422814565 943293010 /nfs/dbraw/zinc/29/30/10/943293010.db2.gz VKWMFNHWQUHJOW-GRGSLBFTSA-N 2 0 370.459 3.946 20 0 FHADRP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422790711 943294214 /nfs/dbraw/zinc/29/42/14/943294214.db2.gz PQULXGOUVGNUEK-YTFSRNRJSA-N 2 0 366.505 3.609 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000422792561 943294880 /nfs/dbraw/zinc/29/48/80/943294880.db2.gz ZLROJAZPDYXCNN-OXJNMPFZSA-N 2 0 362.901 3.782 20 0 FHADRP Fc1ccc2c(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422842296 943296334 /nfs/dbraw/zinc/29/63/34/943296334.db2.gz XZCMVJJORBAXJA-IRLDBZIGSA-N 2 0 365.452 3.695 20 0 FHADRP COc1ccc(-c2csc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422823845 943296618 /nfs/dbraw/zinc/29/66/18/943296618.db2.gz MJOFUTCZICIDCK-NJDAHSKKSA-N 2 0 372.534 3.670 20 0 FHADRP CCOCc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422835266 943299907 /nfs/dbraw/zinc/29/99/07/943299907.db2.gz PDJLSBVRUULHBM-IFMALSPDSA-N 2 0 352.478 3.569 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CCCOc2ccccc21 ZINC000422847595 943303922 /nfs/dbraw/zinc/30/39/22/943303922.db2.gz ILHQMMANGNXEMO-CNNODRBYSA-N 2 0 350.462 3.746 20 0 FHADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000422879689 943314888 /nfs/dbraw/zinc/31/48/88/943314888.db2.gz WAOKQEAQUXHKDG-XTQVGHSUSA-N 2 0 363.505 3.947 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnccc1N ZINC000422880446 943315185 /nfs/dbraw/zinc/31/51/85/943315185.db2.gz LWVMFCVGOJSVRW-KZNAEPCWSA-N 2 0 352.526 3.823 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000422882348 943315824 /nfs/dbraw/zinc/31/58/24/943315824.db2.gz RZYGGIUITZACRU-ILWGZMRPSA-N 2 0 356.554 3.944 20 0 FHADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422883112 943316460 /nfs/dbraw/zinc/31/64/60/943316460.db2.gz BOZMRBFBEJUWRG-CNNODRBYSA-N 2 0 350.462 3.528 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CCOCC2)cc1 ZINC000422883723 943317086 /nfs/dbraw/zinc/31/70/86/943317086.db2.gz VKUPPWLIDREZTA-VXKWHMMOSA-N 2 0 366.505 3.868 20 0 FHADRP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422888033 943318130 /nfs/dbraw/zinc/31/81/30/943318130.db2.gz BXTVFPJNSIXGJF-LLUDDFSJSA-N 2 0 357.542 3.615 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870276 943320962 /nfs/dbraw/zinc/32/09/62/943320962.db2.gz XNGOOOBRPAVJOU-PMACEKPBSA-N 2 0 365.477 3.852 20 0 FHADRP CC(C)n1cncc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000425335189 943323183 /nfs/dbraw/zinc/32/31/83/943323183.db2.gz ICLOUUWLMPXBCG-UHFFFAOYSA-N 2 0 352.526 3.952 20 0 FHADRP Fc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422899632 943324604 /nfs/dbraw/zinc/32/46/04/943324604.db2.gz HXNKNZPJWFRCMK-QHAWAJNXSA-N 2 0 360.517 3.774 20 0 FHADRP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCOCC1 ZINC000422901972 943324959 /nfs/dbraw/zinc/32/49/59/943324959.db2.gz MALPBOKBHHPIGL-ZWKOTPCHSA-N 2 0 366.933 3.646 20 0 FHADRP COc1ccc(C)cc1C1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CCOCC1 ZINC000422902988 943325630 /nfs/dbraw/zinc/32/56/30/943325630.db2.gz VMEAESPHIOPRGF-UXHICEINSA-N 2 0 374.569 3.952 20 0 FHADRP CC(C)c1nc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422904781 943326652 /nfs/dbraw/zinc/32/66/52/943326652.db2.gz QPSOZNKMEOYTQO-PXNSSMCTSA-N 2 0 357.523 3.655 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c2)n1 ZINC000422906626 943327088 /nfs/dbraw/zinc/32/70/88/943327088.db2.gz VPPFTAIITCXJRF-RYUDHWBXSA-N 2 0 354.420 3.723 20 0 FHADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422912475 943328946 /nfs/dbraw/zinc/32/89/46/943328946.db2.gz WFXHPHPRIFRBNL-VAMGGRTRSA-N 2 0 360.567 3.838 20 0 FHADRP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422893309 943330425 /nfs/dbraw/zinc/33/04/25/943330425.db2.gz PZRBYFFTBREPPR-FCHUYYIVSA-N 2 0 353.510 3.642 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894383 943331441 /nfs/dbraw/zinc/33/14/41/943331441.db2.gz TVJJXKCQICGWAR-XLIONFOSSA-N 2 0 355.457 3.685 20 0 FHADRP Cc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCCC2)c1 ZINC000422894612 943331519 /nfs/dbraw/zinc/33/15/19/943331519.db2.gz CMLRDZNCFVKGHB-FDFHNCONSA-N 2 0 356.554 3.944 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422924363 943332477 /nfs/dbraw/zinc/33/24/77/943332477.db2.gz ASRKPEVSKVJLOC-RXVVDRJESA-N 2 0 357.542 3.713 20 0 FHADRP C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414704186 943332719 /nfs/dbraw/zinc/33/27/19/943332719.db2.gz CVLFRBRRDJWGKK-LJQANCHMSA-N 2 0 358.530 3.667 20 0 FHADRP O=C(c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1)N1CCCCC1 ZINC000422924354 943332892 /nfs/dbraw/zinc/33/28/92/943332892.db2.gz ARDUSHNVYZUEEF-YPAWHYETSA-N 2 0 369.553 3.713 20 0 FHADRP Clc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422925368 943333315 /nfs/dbraw/zinc/33/33/15/943333315.db2.gz BNOLUAZWMHEJPM-KBAYOESNSA-N 2 0 364.917 3.554 20 0 FHADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000422929738 943335225 /nfs/dbraw/zinc/33/52/25/943335225.db2.gz RHZPASBUDVRZLK-FGZHOGPDSA-N 2 0 354.494 3.894 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000503701856 943344921 /nfs/dbraw/zinc/34/49/21/943344921.db2.gz NJFPMILIVITJDW-OALUTQOASA-N 2 0 374.573 3.632 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000503704011 943346087 /nfs/dbraw/zinc/34/60/87/943346087.db2.gz MHHNSJFDSRAYQF-AZUAARDMSA-N 2 0 374.573 3.632 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952913 943348124 /nfs/dbraw/zinc/34/81/24/943348124.db2.gz CPXYVHDBXZGGLA-CDHQVMDDSA-N 2 0 358.457 3.768 20 0 FHADRP Fc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1 ZINC000422956318 943348960 /nfs/dbraw/zinc/34/89/60/943348960.db2.gz PGWZOTNOEFZQBV-UYAOXDASSA-N 2 0 360.860 3.867 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422970833 943354511 /nfs/dbraw/zinc/35/45/11/943354511.db2.gz XDEOZRAAEUTOGC-GHTZIAJQSA-N 2 0 360.542 3.783 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422975931 943355927 /nfs/dbraw/zinc/35/59/27/943355927.db2.gz CDHAUFKCOPGPGZ-MAUKXSAKSA-N 2 0 366.933 3.572 20 0 FHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000435374272 943355952 /nfs/dbraw/zinc/35/59/52/943355952.db2.gz PXIZCIMUQPTWSY-HOTGVXAUSA-N 2 0 352.507 3.770 20 0 FHADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)n(-c2ccccc2)n1 ZINC000423002021 943361415 /nfs/dbraw/zinc/36/14/15/943361415.db2.gz YCYQJGZDSNSAST-RDJZCZTQSA-N 2 0 363.509 3.625 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000503769094 943363739 /nfs/dbraw/zinc/36/37/39/943363739.db2.gz ZOZZQOCUMJXILA-SFHVURJKSA-N 2 0 374.573 3.727 20 0 FHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435370530 943364558 /nfs/dbraw/zinc/36/45/58/943364558.db2.gz JCRIQGUXNBCQGI-ZBFHGGJFSA-N 2 0 357.885 3.761 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000423015321 943365531 /nfs/dbraw/zinc/36/55/31/943365531.db2.gz QVQXNRAVFOKUKJ-HRAATJIYSA-N 2 0 354.494 3.521 20 0 FHADRP C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022900 943369196 /nfs/dbraw/zinc/36/91/96/943369196.db2.gz IMYLTRKAPRGFRW-LZBRWLDZSA-N 2 0 353.913 3.592 20 0 FHADRP C[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000435381380 943369294 /nfs/dbraw/zinc/36/92/94/943369294.db2.gz SYVJKIKEYMBYBQ-UHFFFAOYSA-N 2 0 354.494 3.802 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423038396 943373645 /nfs/dbraw/zinc/37/36/45/943373645.db2.gz YQPNEKRTUZDVGP-JBBXEZCESA-N 2 0 353.913 3.591 20 0 FHADRP COCc1ccccc1/C=C(/C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000511607396 943374752 /nfs/dbraw/zinc/37/47/52/943374752.db2.gz WEQYHKHLHJLTMY-AZGBFLDPSA-N 2 0 372.553 3.594 20 0 FHADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423040652 943375208 /nfs/dbraw/zinc/37/52/08/943375208.db2.gz HSHYQOUXJWDNGN-KNEBKQPDSA-N 2 0 351.897 3.568 20 0 FHADRP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423057812 943377765 /nfs/dbraw/zinc/37/77/65/943377765.db2.gz AWLALGXKMZSAMO-CIRFHOKZSA-N 2 0 367.459 3.794 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000423060022 943378171 /nfs/dbraw/zinc/37/81/71/943378171.db2.gz HDWFVFZAKJGAGF-IRXDYDNUSA-N 2 0 373.310 3.773 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423062369 943378188 /nfs/dbraw/zinc/37/81/88/943378188.db2.gz MUTUFJPAGNDJKW-CYBMUJFWSA-N 2 0 356.901 3.887 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCC2)c(F)c1 ZINC000423062578 943378710 /nfs/dbraw/zinc/37/87/10/943378710.db2.gz NFGYHJVFLSMUAJ-FFZOFVMBSA-N 2 0 364.480 3.523 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1-c1ccccc1 ZINC000423065614 943380048 /nfs/dbraw/zinc/38/00/48/943380048.db2.gz VBLNUNVCPKCSCT-YTFSRNRJSA-N 2 0 350.506 3.909 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cc3cccc(F)c3o2)CC[NH2+]CC1 ZINC000423068464 943380781 /nfs/dbraw/zinc/38/07/81/943380781.db2.gz JXEAWFGRSPQZNJ-ZIAGYGMSSA-N 2 0 362.445 3.544 20 0 FHADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423071055 943381943 /nfs/dbraw/zinc/38/19/43/943381943.db2.gz NXHRXIJYJYUARY-SUNYJGFJSA-N 2 0 362.315 3.843 20 0 FHADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423072223 943382113 /nfs/dbraw/zinc/38/21/13/943382113.db2.gz PLDSHMOHQKFIPX-RCCFBDPRSA-N 2 0 370.459 3.730 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000503853453 943385498 /nfs/dbraw/zinc/38/54/98/943385498.db2.gz DBPZHKHPVRNNMO-BMGDILEWSA-N 2 0 356.457 3.828 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423084192 943388347 /nfs/dbraw/zinc/38/83/47/943388347.db2.gz HPDAYGAOGHEUNE-WOSRLPQWSA-N 2 0 357.325 3.757 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423092910 943391873 /nfs/dbraw/zinc/39/18/73/943391873.db2.gz DUZVXVAVZGASPI-PLNCSYRRSA-N 2 0 355.295 3.812 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000423097093 943392824 /nfs/dbraw/zinc/39/28/24/943392824.db2.gz AHHDHWPBNWAFLK-WOSRLPQWSA-N 2 0 365.871 3.981 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423096529 943392937 /nfs/dbraw/zinc/39/29/37/943392937.db2.gz PDTXJFDCBDJDNA-UNWVZKJWSA-N 2 0 369.553 3.629 20 0 FHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423101924 943394502 /nfs/dbraw/zinc/39/45/02/943394502.db2.gz WNSDEFHFORNNKV-RDAXPCIFSA-N 2 0 352.453 3.917 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423101302 943394600 /nfs/dbraw/zinc/39/46/00/943394600.db2.gz VZJHWTSEBKOANE-KXBFYZLASA-N 2 0 366.427 3.718 20 0 FHADRP COc1cccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1OC ZINC000435433643 943397074 /nfs/dbraw/zinc/39/70/74/943397074.db2.gz TWDPRJYJNOSCBM-IBGZPJMESA-N 2 0 372.534 3.910 20 0 FHADRP COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423122394 943397633 /nfs/dbraw/zinc/39/76/33/943397633.db2.gz KOEJLENSRZUFLK-IRFCIJBXSA-N 2 0 372.896 3.873 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH2+]C(C)(C)C1)C1CCCCC1 ZINC000414717679 943398078 /nfs/dbraw/zinc/39/80/78/943398078.db2.gz USKZNPTWMUIUHE-UHFFFAOYSA-N 2 0 358.530 3.667 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1OCCc2sccc21 ZINC000423125062 943398601 /nfs/dbraw/zinc/39/86/01/943398601.db2.gz HHEBHYNCYLSWDH-VBYRIGCOSA-N 2 0 370.518 3.596 20 0 FHADRP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124783 943398635 /nfs/dbraw/zinc/39/86/35/943398635.db2.gz PCXCFSNLICQGFX-LPOZWGFCSA-N 2 0 364.489 3.752 20 0 FHADRP COc1cc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1Cl ZINC000423127008 943399055 /nfs/dbraw/zinc/39/90/55/943399055.db2.gz BQWAUCJSGVBBHX-NQIIRXRSSA-N 2 0 372.896 3.737 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCCCC1 ZINC000423147537 943407439 /nfs/dbraw/zinc/40/74/39/943407439.db2.gz CTKQCFBKCRRQEO-IPELMVKDSA-N 2 0 350.934 3.884 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000423143549 943418376 /nfs/dbraw/zinc/41/83/76/943418376.db2.gz XFAVRNPRJAJURW-GHTZIAJQSA-N 3 0 366.553 3.802 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423177373 943428046 /nfs/dbraw/zinc/42/80/46/943428046.db2.gz HJBVHMJWIREAHV-ZIAGYGMSSA-N 2 0 354.473 3.761 20 0 FHADRP COCCC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000423218367 943446977 /nfs/dbraw/zinc/44/69/77/943446977.db2.gz RUSQNWHVXBNOOS-OFLPRAFFSA-N 2 0 355.320 3.776 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000503976817 943448344 /nfs/dbraw/zinc/44/83/44/943448344.db2.gz JARJUTOOMJPFMM-PMACEKPBSA-N 2 0 368.610 3.505 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220053 943448465 /nfs/dbraw/zinc/44/84/65/943448465.db2.gz XVEHUGCOCDDUDY-SJCJKPOMSA-N 2 0 362.315 3.897 20 0 FHADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423266553 943456007 /nfs/dbraw/zinc/45/60/07/943456007.db2.gz DHUPPXPNYAJWMX-MNOVXSKESA-N 2 0 365.827 3.521 20 0 FHADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(Br)o2)cc1 ZINC000423247054 943458732 /nfs/dbraw/zinc/45/87/32/943458732.db2.gz KPKSCYFQBXIHEH-PXAZEXFGSA-N 2 0 367.262 3.860 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256498 943461277 /nfs/dbraw/zinc/46/12/77/943461277.db2.gz FIEXNJXFFWZFOU-CZUORRHYSA-N 2 0 353.304 3.642 20 0 FHADRP COCCC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423344266 943477912 /nfs/dbraw/zinc/47/79/12/943477912.db2.gz XLSDBOZRQSUXET-ZWKOTPCHSA-N 2 0 369.347 3.896 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066349 943484424 /nfs/dbraw/zinc/48/44/24/943484424.db2.gz OXSICUYSHQHPRE-PUHATCMVSA-N 2 0 355.570 3.847 20 0 FHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423350470 943486934 /nfs/dbraw/zinc/48/69/34/943486934.db2.gz XNCMLFFAXJTJKT-CDXJDZJCSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423352151 943487639 /nfs/dbraw/zinc/48/76/39/943487639.db2.gz JWNULAOQRHLFEF-KSFYIVLOSA-N 2 0 353.510 3.937 20 0 FHADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423385994 943498238 /nfs/dbraw/zinc/49/82/38/943498238.db2.gz LQTOWEWGQJNAQD-GFCCVEGCSA-N 2 0 363.274 3.912 20 0 FHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423399814 943502976 /nfs/dbraw/zinc/50/29/76/943502976.db2.gz VECULBMDAGDNRI-GFCCVEGCSA-N 2 0 363.274 3.912 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccc(F)cc2)CC1 ZINC000423402176 943507596 /nfs/dbraw/zinc/50/75/96/943507596.db2.gz RJDPIPRLZLLGKD-NYVOZVTQSA-N 3 0 361.549 3.967 20 0 FHADRP COC[C@@]1(CN[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430026 943516715 /nfs/dbraw/zinc/51/67/15/943516715.db2.gz PGHLNTMTYMNTFS-UTKZUKDTSA-N 2 0 371.550 3.854 20 0 FHADRP CC(C)(C)[NH2+]CCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000414744376 943518066 /nfs/dbraw/zinc/51/80/66/943518066.db2.gz IFCYIKXYAITZER-UHFFFAOYSA-N 2 0 358.357 3.542 20 0 FHADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423482503 943520893 /nfs/dbraw/zinc/52/08/93/943520893.db2.gz XWOXEMUZJOJLGV-YXYSEUPNSA-N 2 0 370.516 3.568 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423464294 943523401 /nfs/dbraw/zinc/52/34/01/943523401.db2.gz QRLJBXCRTPXAFK-DWPOADTPSA-N 3 0 353.554 3.535 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000423471472 943525043 /nfs/dbraw/zinc/52/50/43/943525043.db2.gz MCXYUSKGBJOSHQ-NJKFVAIMSA-N 2 0 360.517 3.704 20 0 FHADRP COc1ccc([C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000423472185 943525416 /nfs/dbraw/zinc/52/54/16/943525416.db2.gz MXXXFTKOZPJUJV-HZUJVAHNSA-N 2 0 372.484 3.887 20 0 FHADRP COc1cccc(CCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435630983 943528279 /nfs/dbraw/zinc/52/82/79/943528279.db2.gz ZFLAKKHUCGXGRX-NRFANRHFSA-N 2 0 353.510 3.667 20 0 FHADRP Brc1ccccc1C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423491734 943535797 /nfs/dbraw/zinc/53/57/97/943535797.db2.gz ZSKWJLHZJSJTEC-AEFFLSMTSA-N 2 0 351.332 3.892 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423492480 943536383 /nfs/dbraw/zinc/53/63/83/943536383.db2.gz NFSRNFDRCQHTGD-CWLKWCNXSA-N 2 0 350.478 3.552 20 0 FHADRP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423531632 943539317 /nfs/dbraw/zinc/53/93/17/943539317.db2.gz SZLHQWZUMLECHR-CDYZOSCDSA-N 2 0 358.526 3.516 20 0 FHADRP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1F ZINC000423509031 943540659 /nfs/dbraw/zinc/54/06/59/943540659.db2.gz LDPQEFFFLCBBKK-JMLCCBQJSA-N 2 0 353.913 3.736 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[NH2+]C2CC2)CCC3)cc1 ZINC000423520148 943544720 /nfs/dbraw/zinc/54/47/20/943544720.db2.gz DUIYRSCRGIUOAJ-KRWDZBQOSA-N 2 0 357.523 3.928 20 0 FHADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1Cl ZINC000423523979 943545431 /nfs/dbraw/zinc/54/54/31/943545431.db2.gz WOKUOMHAASFWJF-IUDNXUCKSA-N 2 0 356.341 3.860 20 0 FHADRP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423536775 943550910 /nfs/dbraw/zinc/55/09/10/943550910.db2.gz AYPRVNFGNVMPDS-CFAJVAMVSA-N 2 0 365.315 3.641 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539847 943550979 /nfs/dbraw/zinc/55/09/79/943550979.db2.gz IYMBWSSYFJSGAC-LBEHMCEESA-N 2 0 365.315 3.641 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCCO2 ZINC000423538441 943550993 /nfs/dbraw/zinc/55/09/93/943550993.db2.gz GJDBBTIVWLBFGD-YOKBYHGQSA-N 2 0 365.315 3.641 20 0 FHADRP NC1(C[NH2+][C@H]2CCCc3sccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423540703 943551670 /nfs/dbraw/zinc/55/16/70/943551670.db2.gz AETMYZGXYCYUSA-IBGZPJMESA-N 2 0 355.551 3.709 20 0 FHADRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC000423541778 943551956 /nfs/dbraw/zinc/55/19/56/943551956.db2.gz AWLXVDDWBQPISP-INIZCTEOSA-N 2 0 359.464 3.609 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000423545477 943553169 /nfs/dbraw/zinc/55/31/69/943553169.db2.gz CQTZNZGHMPGTQW-MRXNPFEDSA-N 2 0 359.464 3.609 20 0 FHADRP Cn1ccnc1C[N@H+](CCc1ccc2ccccc2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690914 943558543 /nfs/dbraw/zinc/55/85/43/943558543.db2.gz CDBFDESBYCOGCJ-JOCHJYFZSA-N 2 0 374.532 3.760 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000423577756 943561476 /nfs/dbraw/zinc/56/14/76/943561476.db2.gz STJVEJGISLESFC-QGZVFWFLSA-N 2 0 365.512 3.784 20 0 FHADRP NC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423579138 943562855 /nfs/dbraw/zinc/56/28/55/943562855.db2.gz VSMAKDWTOCYLFR-QFIPXVFZSA-N 2 0 367.512 3.786 20 0 FHADRP CCC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423579736 943563186 /nfs/dbraw/zinc/56/31/86/943563186.db2.gz WSEBESWHWCILHN-HXUWFJFHSA-N 2 0 352.526 3.506 20 0 FHADRP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000435749604 943584027 /nfs/dbraw/zinc/58/40/27/943584027.db2.gz VBWAFULOKNLWAJ-FQEVSTJZSA-N 2 0 363.590 3.800 20 0 FHADRP c1c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1-c1ccccc1 ZINC000584782894 943602431 /nfs/dbraw/zinc/60/24/31/943602431.db2.gz VUYBVBZKFRKLKL-QHCPKHFHSA-N 2 0 373.504 3.510 20 0 FHADRP CC(C)(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423804482 943622944 /nfs/dbraw/zinc/62/29/44/943622944.db2.gz YAXWQVRSTJHYEF-NRFANRHFSA-N 2 0 371.569 3.827 20 0 FHADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000584796646 943633015 /nfs/dbraw/zinc/63/30/15/943633015.db2.gz QQSOBCYERALNNQ-OAHLLOKOSA-N 2 0 352.544 3.943 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@]2(C)CCC[NH2+]C2)o1 ZINC000414903958 943770753 /nfs/dbraw/zinc/77/07/53/943770753.db2.gz JEPYWMDYBFGYHC-JOCHJYFZSA-N 2 0 364.493 3.920 20 0 FHADRP C[NH+](C)Cc1ccc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1F ZINC000424169294 943772368 /nfs/dbraw/zinc/77/23/68/943772368.db2.gz JNHRZGQBAHPSGG-IBGZPJMESA-N 2 0 363.521 3.581 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)CC2)cc1 ZINC000424269709 943815437 /nfs/dbraw/zinc/81/54/37/943815437.db2.gz MREKJXLOMQDXQU-XBLRLVIHSA-N 2 0 372.553 3.700 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424286596 943819562 /nfs/dbraw/zinc/81/95/62/943819562.db2.gz HJYKSIYQURILLK-OAHLLOKOSA-N 2 0 363.465 3.539 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1c(-c3ccccc3)nc3ccccn31)CC[NH2+]CC2 ZINC000424289644 943820413 /nfs/dbraw/zinc/82/04/13/943820413.db2.gz MFOZGQFZCXGPFF-SFHVURJKSA-N 2 0 360.505 3.965 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OCc3cccnc3)cc1)CC[NH2+]CC2 ZINC000424299964 943826820 /nfs/dbraw/zinc/82/68/20/943826820.db2.gz WIIVJUDIWUEHLJ-GOSISDBHSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584866935 943827755 /nfs/dbraw/zinc/82/77/55/943827755.db2.gz YGDHYMHUXWZUMU-REWPJTCUSA-N 2 0 351.538 3.619 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl)CC[NH2+]CC2 ZINC000424301119 943827915 /nfs/dbraw/zinc/82/79/15/943827915.db2.gz XBPMYXCXSZDRBJ-CYBMUJFWSA-N 2 0 370.324 3.786 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000417695280 943833552 /nfs/dbraw/zinc/83/35/52/943833552.db2.gz AUTRGRVGQFRQCG-DLBZAZTESA-N 2 0 368.525 3.635 20 0 FHADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000516975150 943875603 /nfs/dbraw/zinc/87/56/03/943875603.db2.gz OYADMLQKNDEKIC-CVDCTZTESA-N 3 0 351.538 3.891 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(-c3ccc4c(c3)OCO4)n1)CC[NH2+]CC2 ZINC000424380604 943888854 /nfs/dbraw/zinc/88/88/54/943888854.db2.gz QBEFCGLJYMKYFO-CQSZACIVSA-N 2 0 371.506 3.503 20 0 FHADRP CC(C)C[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417864478 943914226 /nfs/dbraw/zinc/91/42/26/943914226.db2.gz BEIXZKXEJWGQNL-QKNQBKEWSA-N 2 0 374.573 3.522 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424438237 943914330 /nfs/dbraw/zinc/91/43/30/943914330.db2.gz PNNBMHZSSVXHIE-UHFFFAOYSA-N 2 0 354.498 3.569 20 0 FHADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424434886 943927413 /nfs/dbraw/zinc/92/74/13/943927413.db2.gz HHVZGVGNOWDTJW-UHFFFAOYSA-N 2 0 368.525 3.830 20 0 FHADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000517046365 943949863 /nfs/dbraw/zinc/94/98/63/943949863.db2.gz FCMQTWMGBCQHEA-MAUKXSAKSA-N 2 0 373.463 3.652 20 0 FHADRP CC(C)(C)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397574627 944021630 /nfs/dbraw/zinc/02/16/30/944021630.db2.gz BNZSXPZTSPXIFW-UHFFFAOYSA-N 2 0 352.526 3.776 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000417973413 944027422 /nfs/dbraw/zinc/02/74/22/944027422.db2.gz CKXMJXQAGWVKQA-VJBWXMMDSA-N 2 0 350.506 3.537 20 0 FHADRP COc1sc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000414804432 944037065 /nfs/dbraw/zinc/03/70/65/944037065.db2.gz DYAACWRETKUSLO-SNVBAGLBSA-N 2 0 355.301 3.829 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414804476 944037508 /nfs/dbraw/zinc/03/75/08/944037508.db2.gz FFAVCFNWFPAXED-CQSZACIVSA-N 2 0 352.457 3.938 20 0 FHADRP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000425473815 944045291 /nfs/dbraw/zinc/04/52/91/944045291.db2.gz IVEKRRBNVQAYMY-QHCPKHFHSA-N 2 0 364.533 3.578 20 0 FHADRP [NH3+]CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000414912461 944067623 /nfs/dbraw/zinc/06/76/23/944067623.db2.gz URYXFFSYLBRGBM-UHFFFAOYSA-N 2 0 363.299 3.857 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000500095601 944088342 /nfs/dbraw/zinc/08/83/42/944088342.db2.gz GKYQDJRFZDRJRE-HSZRJFAPSA-N 2 0 357.586 3.747 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2CNc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414815757 944126981 /nfs/dbraw/zinc/12/69/81/944126981.db2.gz UZEREFWRVVYYOQ-GOSISDBHSA-N 2 0 352.526 3.850 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000436248931 944135804 /nfs/dbraw/zinc/13/58/04/944135804.db2.gz YUWZAXVNAKUIGM-UHFFFAOYSA-N 2 0 351.450 3.605 20 0 FHADRP C[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500122530 944138537 /nfs/dbraw/zinc/13/85/37/944138537.db2.gz IWWPABYGXMICEX-HNNXBMFYSA-N 2 0 358.448 3.852 20 0 FHADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129028 944143239 /nfs/dbraw/zinc/14/32/39/944143239.db2.gz KBCCFDPREOQUMP-IBGZPJMESA-N 2 0 358.526 3.806 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+](C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000500140611 944161849 /nfs/dbraw/zinc/16/18/49/944161849.db2.gz QYIFAEJACVHAFC-QHCPKHFHSA-N 2 0 355.570 3.945 20 0 FHADRP c1ccc([C@@H]2CC[C@@H]([NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000436270479 944168603 /nfs/dbraw/zinc/16/86/03/944168603.db2.gz BBTUHIRLOVIYGR-FGZHOGPDSA-N 2 0 364.537 3.520 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000436289627 944175396 /nfs/dbraw/zinc/17/53/96/944175396.db2.gz YCEHGOHNMOGLIR-STRKUORWSA-N 2 0 366.496 3.937 20 0 FHADRP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000515756346 944184704 /nfs/dbraw/zinc/18/47/04/944184704.db2.gz ZNUMFLQUUVVQNW-ZWKOTPCHSA-N 2 0 359.558 3.701 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)N1CCC(C)CC1 ZINC000515756125 944184775 /nfs/dbraw/zinc/18/47/75/944184775.db2.gz MAWQUWWFECRADR-UXHICEINSA-N 2 0 371.569 3.798 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000515756343 944184923 /nfs/dbraw/zinc/18/49/23/944184923.db2.gz ZNUMFLQUUVVQNW-MSOLQXFVSA-N 2 0 359.558 3.701 20 0 FHADRP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000515757372 944185434 /nfs/dbraw/zinc/18/54/34/944185434.db2.gz CKLPQOBRPDEJGS-AQNXPRMDSA-N 2 0 373.585 3.805 20 0 FHADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000437869361 944188859 /nfs/dbraw/zinc/18/88/59/944188859.db2.gz FJSDRNZJALTKRN-OAQYLSRUSA-N 2 0 372.557 3.663 20 0 FHADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515800947 944233117 /nfs/dbraw/zinc/23/31/17/944233117.db2.gz SIOMPBMLDSCDSM-IBGZPJMESA-N 2 0 372.557 3.711 20 0 FHADRP Cc1nn(C)c(C)c1CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000366680434 944233708 /nfs/dbraw/zinc/23/37/08/944233708.db2.gz REPOZGRFOWUITK-UHFFFAOYSA-N 2 0 354.542 3.612 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(C2CC2)c1 ZINC000517400611 944255737 /nfs/dbraw/zinc/25/57/37/944255737.db2.gz GOEPSGIYNXBECD-KRWDZBQOSA-N 2 0 365.521 3.706 20 0 FHADRP O=C1O[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CN1c1ccccc1 ZINC000178918847 944257674 /nfs/dbraw/zinc/25/76/74/944257674.db2.gz KZXHQJQSVRVFRR-OAQYLSRUSA-N 2 0 371.525 3.600 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)[NH+]2CCCC2)o1 ZINC000101603371 944267486 /nfs/dbraw/zinc/26/74/86/944267486.db2.gz BBSXZHZPVMIATN-LJQANCHMSA-N 2 0 370.497 3.608 20 0 FHADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000517429040 944289212 /nfs/dbraw/zinc/28/92/12/944289212.db2.gz LINMPYZUCKBCRC-TZIWHRDSSA-N 2 0 353.510 3.523 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]([NH3+])C[C@H]2C)on1 ZINC000518393075 944347286 /nfs/dbraw/zinc/34/72/86/944347286.db2.gz JFRKHDDKMDXTSY-ZBFHGGJFSA-N 2 0 351.450 3.815 20 0 FHADRP CC1(c2ccccc2)CC([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000436469642 944349096 /nfs/dbraw/zinc/34/90/96/944349096.db2.gz DIIIJQZJCXFQCS-UHFFFAOYSA-N 2 0 364.533 3.853 20 0 FHADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000436470450 944350885 /nfs/dbraw/zinc/35/08/85/944350885.db2.gz LWVODPDPDVYRHI-SFHVURJKSA-N 2 0 361.493 3.646 20 0 FHADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000425951332 944362232 /nfs/dbraw/zinc/36/22/32/944362232.db2.gz MMFVNYMAGLXDJZ-ZWKOTPCHSA-N 2 0 366.509 3.762 20 0 FHADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000660373304 944362833 /nfs/dbraw/zinc/36/28/33/944362833.db2.gz OVCMUWGIIKODHY-HFTRVMKXSA-N 2 0 358.448 3.632 20 0 FHADRP CC(C)c1nn(-c2ccccc2)cc1CNCCC[NH2+]Cc1cccnc1 ZINC000414886205 944364618 /nfs/dbraw/zinc/36/46/18/944364618.db2.gz VNAVHGOSPVWXBC-UHFFFAOYSA-N 2 0 363.509 3.660 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001167755078 944383236 /nfs/dbraw/zinc/38/32/36/944383236.db2.gz ZVTVQBZGVGAJFY-LJQANCHMSA-N 3 0 358.574 3.534 20 0 FHADRP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000311200885 944385315 /nfs/dbraw/zinc/38/53/15/944385315.db2.gz HUGIXKCOFRRVGM-MRXNPFEDSA-N 2 0 355.567 3.922 20 0 FHADRP c1ccc2nc(N3CCCCC3)c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000261973930 944387148 /nfs/dbraw/zinc/38/71/48/944387148.db2.gz ILOKVVOKTADWEF-UHFFFAOYSA-N 2 0 364.537 3.801 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC3)cc1 ZINC000425955005 944391980 /nfs/dbraw/zinc/39/19/80/944391980.db2.gz XWYNCCONUUFXGB-YOEHRIQHSA-N 2 0 359.539 3.983 20 0 FHADRP [NH3+][C@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000517560923 944391993 /nfs/dbraw/zinc/39/19/93/944391993.db2.gz CJERAQAUKOMEIR-WOJBJXKFSA-N 2 0 371.912 3.683 20 0 FHADRP CC1(C)C[N@H+](CCc2cn[nH]c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837950 944406074 /nfs/dbraw/zinc/40/60/74/944406074.db2.gz QGGUTCVPPAFAIZ-NRFANRHFSA-N 2 0 352.526 3.575 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000426301101 944412765 /nfs/dbraw/zinc/41/27/65/944412765.db2.gz LLSRIXJEMMBNNH-SJLPKXTDSA-N 2 0 358.555 3.704 20 0 FHADRP Fc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)c1 ZINC001167977800 944429750 /nfs/dbraw/zinc/42/97/50/944429750.db2.gz FLNKFTHSOHEADD-SEJPIABJSA-N 2 0 358.501 3.826 20 0 FHADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)CC1CCCCC1 ZINC000516054618 944457503 /nfs/dbraw/zinc/45/75/03/944457503.db2.gz WVITYQJTWUCVSS-NRFANRHFSA-N 2 0 371.569 3.845 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418357552 944463075 /nfs/dbraw/zinc/46/30/75/944463075.db2.gz QWQFBVZTCDYANJ-NHCUHLMSSA-N 2 0 368.525 3.589 20 0 FHADRP COc1ccc2c(c1)SC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167981991 944492539 /nfs/dbraw/zinc/49/25/39/944492539.db2.gz RWAGHHZCWAURDU-HRVKUGKESA-N 2 0 358.551 3.707 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981950 944492672 /nfs/dbraw/zinc/49/26/72/944492672.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 2 0 367.581 3.892 20 0 FHADRP COc1cccc2c1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CS2 ZINC001167982052 944493432 /nfs/dbraw/zinc/49/34/32/944493432.db2.gz UUFFRXFCDYUMTJ-KCBNDJSGSA-N 2 0 358.551 3.707 20 0 FHADRP CC[N@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+](C)C(C)C)c1)c1ccccc1 ZINC000517683394 944509765 /nfs/dbraw/zinc/50/97/65/944509765.db2.gz BTJWZZFFCYOMCH-JOCHJYFZSA-N 2 0 367.537 3.836 20 0 FHADRP COc1ccc(CC(C)(C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000438337166 944518871 /nfs/dbraw/zinc/51/88/71/944518871.db2.gz DMVYLOVQYAYGMM-UHFFFAOYSA-N 2 0 350.466 3.695 20 0 FHADRP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000518629543 944544463 /nfs/dbraw/zinc/54/44/63/944544463.db2.gz KUABYZSKZZQLBE-JQIJEIRASA-N 2 0 368.468 3.734 20 0 FHADRP COc1ccc(OC)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398209696 944615163 /nfs/dbraw/zinc/61/51/63/944615163.db2.gz RWIVFXORIPORQY-LAUBAEHRSA-N 2 0 354.494 3.704 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999058 944623130 /nfs/dbraw/zinc/62/31/30/944623130.db2.gz IOVVTEXMFIZNFB-MGPQQGTHSA-N 2 0 357.420 3.530 20 0 FHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000518708016 944635269 /nfs/dbraw/zinc/63/52/69/944635269.db2.gz HPOKCMQRFKVGRI-PMACEKPBSA-N 2 0 366.594 3.595 20 0 FHADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000518708019 944635784 /nfs/dbraw/zinc/63/57/84/944635784.db2.gz HPOKCMQRFKVGRI-WOJBJXKFSA-N 2 0 366.594 3.595 20 0 FHADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)C12CCCC2 ZINC000608073064 944644303 /nfs/dbraw/zinc/64/43/03/944644303.db2.gz OELIRJFYODUEHH-SFTDATJTSA-N 2 0 360.542 3.845 20 0 FHADRP Cc1nc2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2s1 ZINC000426410363 944719600 /nfs/dbraw/zinc/71/96/00/944719600.db2.gz LSJRHAYTXMUEHX-UHFFFAOYSA-N 2 0 359.539 3.682 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000506906876 944725509 /nfs/dbraw/zinc/72/55/09/944725509.db2.gz DBDKBZQHRFRIKE-UHFFFAOYSA-N 2 0 354.922 3.911 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(N(CC)CC)s2)CC1 ZINC000506934433 944775454 /nfs/dbraw/zinc/77/54/54/944775454.db2.gz ZWURSQDDHHXOTK-UHFFFAOYSA-N 2 0 352.592 3.933 20 0 FHADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414936851 944852479 /nfs/dbraw/zinc/85/24/79/944852479.db2.gz BUVUGVJHGBMOPL-KKSFZXQISA-N 2 0 364.468 3.766 20 0 FHADRP COc1ccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1OC ZINC001167984358 944863259 /nfs/dbraw/zinc/86/32/59/944863259.db2.gz NNBDSGNMYGFNKX-YOFSQIOKSA-N 2 0 358.526 3.584 20 0 FHADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000505925386 944899509 /nfs/dbraw/zinc/89/95/09/944899509.db2.gz SEQMEZBPWNHIEF-PCCBWWKXSA-N 2 0 363.590 3.610 20 0 FHADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000505937925 944943850 /nfs/dbraw/zinc/94/38/50/944943850.db2.gz ZWCTXEGBCULVGT-SJBKTWHCSA-N 2 0 371.569 3.792 20 0 FHADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000511741304 944978941 /nfs/dbraw/zinc/97/89/41/944978941.db2.gz LBFPEDQQAJHLEN-KRWDZBQOSA-N 2 0 371.525 3.805 20 0 FHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506339389 944989523 /nfs/dbraw/zinc/98/95/23/944989523.db2.gz JFHCMDHVIAFYMQ-UHFFFAOYSA-N 2 0 374.481 3.533 20 0 FHADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414897867 944991105 /nfs/dbraw/zinc/99/11/05/944991105.db2.gz ACAKDUIXKHLAPX-QFIPXVFZSA-N 2 0 354.494 3.754 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)c1 ZINC000426150275 945026580 /nfs/dbraw/zinc/02/65/80/945026580.db2.gz SQANXJJFGPCGGQ-QGZVFWFLSA-N 2 0 356.510 3.963 20 0 FHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc4c[nH]nc4c3)C2)s1 ZINC000660496384 945041502 /nfs/dbraw/zinc/04/15/02/945041502.db2.gz GXFLMYNNCYLCBR-QGZVFWFLSA-N 2 0 354.523 3.887 20 0 FHADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440276881 945370366 /nfs/dbraw/zinc/37/03/66/945370366.db2.gz ODUWOBPAKWEREP-DENIHFKCSA-N 2 0 369.553 3.516 20 0 FHADRP COc1cncc(/C=C\CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660680630 945381101 /nfs/dbraw/zinc/38/11/01/945381101.db2.gz UZVSTRCVGFWUBK-UITAMQMPSA-N 2 0 351.494 3.748 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415043069 945510843 /nfs/dbraw/zinc/51/08/43/945510843.db2.gz ABYACFOGWHKBTN-AVCGJXAMSA-N 2 0 351.538 3.892 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415043071 945511229 /nfs/dbraw/zinc/51/12/29/945511229.db2.gz ABYACFOGWHKBTN-JMUQELJHSA-N 2 0 351.538 3.892 20 0 FHADRP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000187783849 945609553 /nfs/dbraw/zinc/60/95/53/945609553.db2.gz UBEFJFZBJVQQBU-YDHSSHFGSA-N 2 0 374.569 3.696 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443978282 945618630 /nfs/dbraw/zinc/61/86/30/945618630.db2.gz LGAIQSUQKJJERH-GOSISDBHSA-N 2 0 371.500 3.734 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000514095305 945663669 /nfs/dbraw/zinc/66/36/69/945663669.db2.gz QPLDGEJZTUVFOJ-MSYGRNIXSA-N 3 0 355.570 3.881 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)ccn2)cc1 ZINC000415112412 945667138 /nfs/dbraw/zinc/66/71/38/945667138.db2.gz RXDNQIRZIGTCRU-DLBZAZTESA-N 2 0 355.482 3.750 20 0 FHADRP Fc1cccc(Oc2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2)c1 ZINC000443987861 945693586 /nfs/dbraw/zinc/69/35/86/945693586.db2.gz YFGFFWAXINUTOV-UHFFFAOYSA-N 2 0 358.457 3.820 20 0 FHADRP C[N@H+](Cc1cccc(-c2ccc([C@@H]([NH3+])CO)c(C(F)(F)F)c2)c1)C1CC1 ZINC000629708310 945739977 /nfs/dbraw/zinc/73/99/77/945739977.db2.gz DWVXLQXHPWPLPG-IBGZPJMESA-N 2 0 364.411 3.959 20 0 FHADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120023798 945788084 /nfs/dbraw/zinc/78/80/84/945788084.db2.gz SLJRQDKNTZRHPB-ZDUSSCGKSA-N 2 0 351.922 3.956 20 0 FHADRP c1cn(Cc2cccc(C[NH2+]Cc3conc3Cc3ccccc3)c2)cn1 ZINC000550096447 945840887 /nfs/dbraw/zinc/84/08/87/945840887.db2.gz KNVZQJNEBULFRC-UHFFFAOYSA-N 2 0 358.445 3.800 20 0 FHADRP Clc1ccccc1CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167972790 945888074 /nfs/dbraw/zinc/88/80/74/945888074.db2.gz BQBSEOJUWCHPNA-UDEWTMQYSA-N 2 0 373.972 3.909 20 0 FHADRP c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH+]3C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167988622 945909347 /nfs/dbraw/zinc/90/93/47/945909347.db2.gz SHMCOPHCYBXLSQ-UKHIHGHQSA-N 2 0 365.565 3.741 20 0 FHADRP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(C(F)(F)F)c1 ZINC001167973750 945975512 /nfs/dbraw/zinc/97/55/12/945975512.db2.gz MSFYWEACGKEHOA-MQVJKMGUSA-N 2 0 353.432 3.981 20 0 FHADRP C[C@H](CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000475056676 946016396 /nfs/dbraw/zinc/01/63/96/946016396.db2.gz LKISGFVMYJJRIA-NJYVYQBISA-N 2 0 374.569 3.803 20 0 FHADRP Cc1[nH+]c2ccccc2c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000302156825 946150791 /nfs/dbraw/zinc/15/07/91/946150791.db2.gz NAVGXGQBORXZSA-YOFSQIOKSA-N 2 0 364.537 3.599 20 0 FHADRP Cc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1F ZINC000520206741 946268715 /nfs/dbraw/zinc/26/87/15/946268715.db2.gz HLTIYLLAUWGOMC-JOCHJYFZSA-N 2 0 355.501 3.603 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000651930311 946305616 /nfs/dbraw/zinc/30/56/16/946305616.db2.gz ONSFIMDYHPWFHJ-MBSDFSHPSA-N 2 0 356.554 3.877 20 0 FHADRP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCC3)ncn2)CC1 ZINC000302795339 946327304 /nfs/dbraw/zinc/32/73/04/946327304.db2.gz OOCPYTRXLQAMTE-UHFFFAOYSA-N 2 0 365.525 3.921 20 0 FHADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(N2CCC2=O)c1 ZINC000441239989 946330641 /nfs/dbraw/zinc/33/06/41/946330641.db2.gz WVSPSBJSLBGKHM-UHFFFAOYSA-N 2 0 365.521 3.671 20 0 FHADRP CCC[NH+]1C[C@@H]2C[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168056065 946340586 /nfs/dbraw/zinc/34/05/86/946340586.db2.gz BXXQZRHDPYUZFG-SEIRJHJZSA-N 3 0 355.570 3.702 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc2ccccc21 ZINC000441250394 946346235 /nfs/dbraw/zinc/34/62/35/946346235.db2.gz QMFOWGWYRATSPK-LSWJPFSZSA-N 2 0 368.521 3.792 20 0 FHADRP C[C@H]1CC(N2CCC([N@H+](C)C3CC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056200 946352329 /nfs/dbraw/zinc/35/23/29/946352329.db2.gz DAQOYHMBUHDLKH-OALUTQOASA-N 2 0 355.570 3.987 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128978 946434425 /nfs/dbraw/zinc/43/44/25/946434425.db2.gz ICYGABYOTLUUKJ-FYYLOGMGSA-N 2 0 365.521 3.537 20 0 FHADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000475128979 946434719 /nfs/dbraw/zinc/43/47/19/946434719.db2.gz ICYGABYOTLUUKJ-GGAORHGYSA-N 2 0 365.521 3.537 20 0 FHADRP C[C@H]1CCC[C@@](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)([NH+](C)C)C1 ZINC000520368263 946467578 /nfs/dbraw/zinc/46/75/78/946467578.db2.gz AEXOWNIUQIEFAC-PGRDOPGGSA-N 2 0 357.542 3.523 20 0 FHADRP Cc1ccc2[nH]c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2c1C ZINC000473142482 946563632 /nfs/dbraw/zinc/56/36/32/946563632.db2.gz RJEXGCWHLQBNOV-UHFFFAOYSA-N 2 0 355.526 3.719 20 0 FHADRP Cc1ccc2[nH]c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2c1C ZINC000473143438 946585141 /nfs/dbraw/zinc/58/51/41/946585141.db2.gz YBZJOEPFOKFWID-UHFFFAOYSA-N 2 0 355.526 3.862 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCc3ccc(=O)[nH]c3CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058136 946592419 /nfs/dbraw/zinc/59/24/19/946592419.db2.gz BDDFJRJLZMBBMU-RMFSNUHRSA-N 2 0 365.521 3.629 20 0 FHADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000475554378 946638425 /nfs/dbraw/zinc/63/84/25/946638425.db2.gz ISWSDDBJRFROIW-ZLPCBKJTSA-N 2 0 363.933 3.972 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Cl)cc3)cn2)CC1 ZINC000112529239 946670547 /nfs/dbraw/zinc/67/05/47/946670547.db2.gz QCPUCAGDVYDGBF-MRXNPFEDSA-N 2 0 358.917 3.728 20 0 FHADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000475197197 946703783 /nfs/dbraw/zinc/70/37/83/946703783.db2.gz XMEWOVDZCSSNGU-BRWVUGGUSA-N 2 0 361.555 3.879 20 0 FHADRP COc1cc(CNC2CC([NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000475580881 946746214 /nfs/dbraw/zinc/74/62/14/946746214.db2.gz MEORAKMRGFPNGZ-UHFFFAOYSA-N 2 0 372.431 3.743 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000475284932 946823135 /nfs/dbraw/zinc/82/31/35/946823135.db2.gz KTMSXHYHCJRXAK-RDJZCZTQSA-N 2 0 355.448 3.601 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000475328262 946888979 /nfs/dbraw/zinc/88/89/79/946888979.db2.gz HKIDCIZWBCSGKA-UHFFFAOYSA-N 2 0 360.505 3.667 20 0 FHADRP CC(C)c1noc([C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)n1 ZINC001167994727 946889914 /nfs/dbraw/zinc/88/99/14/946889914.db2.gz MHOIGGZZKYYSKN-HTUJPFKRSA-N 2 0 358.530 3.778 20 0 FHADRP CC(C)(C)c1cccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348335 946891931 /nfs/dbraw/zinc/89/19/31/946891931.db2.gz AKINCVYAMWZISW-DWLFOUALSA-N 2 0 374.569 3.971 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000652348536 946892694 /nfs/dbraw/zinc/89/26/94/946892694.db2.gz HQQRIDZPYZRVBP-FDQGKXFDSA-N 2 0 373.324 3.591 20 0 FHADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652361149 946929486 /nfs/dbraw/zinc/92/94/86/946929486.db2.gz YXGXYJYDPNQAAT-HMXCVIKNSA-N 2 0 358.526 3.675 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4cccs4)cc3)C2)CC1 ZINC000444610436 947036482 /nfs/dbraw/zinc/03/64/82/947036482.db2.gz PIABOXLKPHOIBL-FQEVSTJZSA-N 2 0 355.551 3.627 20 0 FHADRP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2C)CC1 ZINC000909606475 947041490 /nfs/dbraw/zinc/04/14/90/947041490.db2.gz PKBXVIIYCRVVLA-UHFFFAOYSA-N 2 0 366.509 3.615 20 0 FHADRP c1ccc(C[N@H+]2CCC[C@@]3(CCN(CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000444598513 947045771 /nfs/dbraw/zinc/04/57/71/947045771.db2.gz QSRZXLPFMBIZRL-QHCPKHFHSA-N 2 0 355.570 3.851 20 0 FHADRP CSc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)s1 ZINC001142018733 947054398 /nfs/dbraw/zinc/05/43/98/947054398.db2.gz QSWOQNJWPVRALR-UHFFFAOYSA-N 2 0 354.585 3.794 20 0 FHADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995895 947065132 /nfs/dbraw/zinc/06/51/32/947065132.db2.gz UWHYIHDOGOUOBT-QUFMSWDXSA-N 2 0 353.554 3.598 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3ccncc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065677 947181699 /nfs/dbraw/zinc/18/16/99/947181699.db2.gz XLCIHCBXVNBMTD-QRICJDHISA-N 2 0 365.521 3.976 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC(C(C)(C)C(N)=O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065907 947316129 /nfs/dbraw/zinc/31/61/29/947316129.db2.gz YZWNJKSRBOHTJL-RMFSNUHRSA-N 2 0 371.569 3.652 20 0 FHADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000250134823 947337487 /nfs/dbraw/zinc/33/74/87/947337487.db2.gz XXRVTBGNSSDGMY-KGLIPLIRSA-N 2 0 355.320 3.846 20 0 FHADRP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000520451872 947505054 /nfs/dbraw/zinc/50/50/54/947505054.db2.gz ALWHVJICXIHSRB-COXVUDFISA-N 2 0 371.447 3.885 20 0 FHADRP COc1cc2c(cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)O[C@@H](C)C2 ZINC000523732196 947552952 /nfs/dbraw/zinc/55/29/52/947552952.db2.gz VMYRVCQKQFOIKV-AWEZNQCLSA-N 2 0 358.457 3.509 20 0 FHADRP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000523738758 947558487 /nfs/dbraw/zinc/55/84/87/947558487.db2.gz LQINWOYLBKTRKI-UHFFFAOYSA-N 2 0 359.489 3.510 20 0 FHADRP C[N@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258627 947685766 /nfs/dbraw/zinc/68/57/66/947685766.db2.gz WEFLHAAXLXUQBM-FQEVSTJZSA-N 2 0 369.509 3.507 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000662280927 947700880 /nfs/dbraw/zinc/70/08/80/947700880.db2.gz IEOSVKIUZCPYJN-AEFFLSMTSA-N 2 0 354.947 3.650 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290232 947712430 /nfs/dbraw/zinc/71/24/30/947712430.db2.gz BKJFFRAGZWMLIZ-WBVHZDCISA-N 2 0 363.933 3.687 20 0 FHADRP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290859 947712550 /nfs/dbraw/zinc/71/25/50/947712550.db2.gz MDKPREJSBDZOFP-NVXWUHKLSA-N 2 0 363.933 3.687 20 0 FHADRP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291259 947713610 /nfs/dbraw/zinc/71/36/10/947713610.db2.gz QWEBNLYCFFBXIB-FUHWJXTLSA-N 2 0 354.498 3.818 20 0 FHADRP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291258 947713942 /nfs/dbraw/zinc/71/39/42/947713942.db2.gz QWEBNLYCFFBXIB-AEFFLSMTSA-N 2 0 354.498 3.818 20 0 FHADRP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295223 947716063 /nfs/dbraw/zinc/71/60/63/947716063.db2.gz GCMOZBQEYRORSF-SJLPKXTDSA-N 2 0 354.498 3.818 20 0 FHADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2)n1 ZINC000662293761 947716284 /nfs/dbraw/zinc/71/62/84/947716284.db2.gz SXRGHJZCJUCSQX-OAQYLSRUSA-N 2 0 352.526 3.701 20 0 FHADRP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)co2)cc1F ZINC000662295226 947716793 /nfs/dbraw/zinc/71/67/93/947716793.db2.gz UKJCKSCBHYKVSW-INIZCTEOSA-N 2 0 361.436 3.831 20 0 FHADRP c1ccc(-n2nc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c3c2CCC3)cc1 ZINC000662295963 947720942 /nfs/dbraw/zinc/72/09/42/947720942.db2.gz JLDDWKBFRXYLNC-IBGZPJMESA-N 2 0 364.537 3.573 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)cc1 ZINC000662306293 947732628 /nfs/dbraw/zinc/73/26/28/947732628.db2.gz QDTNRGDHTKDJIJ-FXAWDEMLSA-N 2 0 358.457 3.722 20 0 FHADRP C[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000662324342 947750792 /nfs/dbraw/zinc/75/07/92/947750792.db2.gz VLTGHVDQDDGPCR-YJBOKZPZSA-N 2 0 358.448 3.852 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579376301 947758531 /nfs/dbraw/zinc/75/85/31/947758531.db2.gz LZJBELWHDJFKRB-QKYXUNIQSA-N 2 0 369.484 3.927 20 0 FHADRP CC1CC[NH+]([C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)c2cccs2)CC1 ZINC000662347285 947758654 /nfs/dbraw/zinc/75/86/54/947758654.db2.gz ZNCNMRUUXTXOOL-IBGZPJMESA-N 2 0 369.534 3.554 20 0 FHADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Br ZINC000663346634 947816129 /nfs/dbraw/zinc/81/61/29/947816129.db2.gz BKXCWWSAGBFCBO-MRXNPFEDSA-N 2 0 367.331 3.669 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C[C@H](C)O1 ZINC000663384366 947903146 /nfs/dbraw/zinc/90/31/46/947903146.db2.gz IHYZXRVOISZWNI-IYBDPMFKSA-N 2 0 350.466 3.784 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000511978008 947972909 /nfs/dbraw/zinc/97/29/09/947972909.db2.gz ROLANFLVRBBGBV-LJQANCHMSA-N 2 0 359.558 3.769 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc4c3CC[NH2+]C4)cc2)C1 ZINC000662675621 947974329 /nfs/dbraw/zinc/97/43/29/947974329.db2.gz NUCYRNIZNDFCKW-KRWDZBQOSA-N 2 0 363.505 3.817 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825128 948119273 /nfs/dbraw/zinc/11/92/73/948119273.db2.gz REEUMSFYJNSTEP-RBUKOAKNSA-N 2 0 363.594 3.610 20 0 FHADRP CCOC(=O)CN(Cc1ccc(OC)cc1)[C@H](C)CCC[NH+](CC)CC ZINC001167827835 948159905 /nfs/dbraw/zinc/15/99/05/948159905.db2.gz YEATZWJBXPIEHX-GOSISDBHSA-N 2 0 364.530 3.571 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000432353030 948200790 /nfs/dbraw/zinc/20/07/90/948200790.db2.gz HAKVSARWGYPGTN-FQEVSTJZSA-N 2 0 368.521 3.856 20 0 FHADRP CN(C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001168002130 948219839 /nfs/dbraw/zinc/21/98/39/948219839.db2.gz NAKFSBZXISZXJH-VDXGAUASSA-N 2 0 367.581 3.988 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833702 948232016 /nfs/dbraw/zinc/23/20/16/948232016.db2.gz DKSZSKFDQABXPD-QZTJIDSGSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001167833710 948232203 /nfs/dbraw/zinc/23/22/03/948232203.db2.gz DIOOFQVKEHVFDK-FXAWDEMLSA-N 2 0 363.521 3.530 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001167835722 948298922 /nfs/dbraw/zinc/29/89/22/948298922.db2.gz UELBIOHLROQVRL-QZTJIDSGSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001167836760 948308020 /nfs/dbraw/zinc/30/80/20/948308020.db2.gz GUPACGCKTFHUNX-GOSISDBHSA-N 2 0 367.578 3.972 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001167841694 948365865 /nfs/dbraw/zinc/36/58/65/948365865.db2.gz PBLZRJQYSHMWOX-OTWHNJEPSA-N 2 0 367.578 3.828 20 0 FHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000432427534 948397591 /nfs/dbraw/zinc/39/75/91/948397591.db2.gz ZFTFBEWMFWJGEF-QAPCUYQASA-N 2 0 356.457 3.830 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167842954 948398595 /nfs/dbraw/zinc/39/85/95/948398595.db2.gz ZYLMYIQSVYXGNB-QZTJIDSGSA-N 2 0 355.567 3.686 20 0 FHADRP C[C@@H]1CN(CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441094 948433944 /nfs/dbraw/zinc/43/39/44/948433944.db2.gz JONUQWJOUWUXER-KDOFPFPSSA-N 2 0 372.431 3.663 20 0 FHADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512108299 948439891 /nfs/dbraw/zinc/43/98/91/948439891.db2.gz VDNNCFJXBBBISD-HSALFYBXSA-N 2 0 371.569 3.940 20 0 FHADRP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168005097 948455370 /nfs/dbraw/zinc/45/53/70/948455370.db2.gz FSJWLFGFBDZRLQ-RMFSNUHRSA-N 2 0 353.510 3.664 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccsc3)s2)C[C@@H](C)O1 ZINC000531479146 948724517 /nfs/dbraw/zinc/72/45/17/948724517.db2.gz MZYMLAVSIAXUMH-HUUCEWRRSA-N 2 0 365.568 3.851 20 0 FHADRP CC(C)(C)OC(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536485229 948730694 /nfs/dbraw/zinc/73/06/94/948730694.db2.gz JRUFQIPCWNVWKC-UHFFFAOYSA-N 2 0 358.526 3.706 20 0 FHADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536484728 948732205 /nfs/dbraw/zinc/73/22/05/948732205.db2.gz CYJRYGWBBLYNKY-IBGZPJMESA-N 2 0 371.569 3.668 20 0 FHADRP CSC1(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667612 568014173 /nfs/dbraw/zinc/01/41/73/568014173.db2.gz QTFZORFPQHEUCS-PZJWPPBQSA-N 2 0 373.610 3.772 20 0 FHADRP CC(C)(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000563093040 568113896 /nfs/dbraw/zinc/11/38/96/568113896.db2.gz XKPKECWGMOWYBN-OAQYLSRUSA-N 2 0 365.521 3.625 20 0 FHADRP CC[NH+](CC)[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000303238641 568261944 /nfs/dbraw/zinc/26/19/44/568261944.db2.gz HXQAFSDDONQOKR-VWPQPMDRSA-N 2 0 373.585 3.944 20 0 FHADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358216 568318773 /nfs/dbraw/zinc/31/87/73/568318773.db2.gz ZDFCIKDPOVEUAQ-QGZVFWFLSA-N 2 0 357.542 3.678 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cc1 ZINC000604890892 568381790 /nfs/dbraw/zinc/38/17/90/568381790.db2.gz IUWHEAZHDONNMH-UHFFFAOYSA-N 2 0 355.457 3.580 20 0 FHADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820411249 607087633 /nfs/dbraw/zinc/08/76/33/607087633.db2.gz HNDYRFIRRXNZBK-FTRWYGJKSA-N 2 0 368.529 3.560 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4cc(N5CCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001164630895 719087818 /nfs/dbraw/zinc/08/78/18/719087818.db2.gz XHKCIENNSIHBJK-RBBKRZOGSA-N 2 0 362.521 3.783 20 0 FHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc1 ZINC001164620024 719124286 /nfs/dbraw/zinc/12/42/86/719124286.db2.gz GMVJDAWMUOXJSO-CEXWTWQISA-N 2 0 360.521 3.532 20 0 FHADRP Cc1cc(C)[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164836999 720660471 /nfs/dbraw/zinc/66/04/71/720660471.db2.gz APSVLZZNDFSXTJ-OAQYLSRUSA-N 2 0 365.521 3.958 20 0 FHADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164791661 721490556 /nfs/dbraw/zinc/49/05/56/721490556.db2.gz DKKRZYWLBKZOGI-UHFFFAOYSA-N 2 0 361.493 3.839 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]21 ZINC001165027186 721803192 /nfs/dbraw/zinc/80/31/92/721803192.db2.gz UDDKZBSJGHKPAS-YFVAEKQCSA-N 2 0 361.493 3.695 20 0 FHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)cc(C)[nH+]4)CC3)C2)cc1 ZINC001164939954 721921007 /nfs/dbraw/zinc/92/10/07/721921007.db2.gz XCMUEBQSUZSSIA-UHFFFAOYSA-N 2 0 365.521 3.878 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)cc1OC ZINC000583033436 936385334 /nfs/dbraw/zinc/38/53/34/936385334.db2.gz CXHPKKCAUUDKRW-ZCNNSNEGSA-N 2 0 354.494 3.847 20 0 FHADRP C[C@H](CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@H+](C)Cc1ccccc1 ZINC000583075855 937097697 /nfs/dbraw/zinc/09/76/97/937097697.db2.gz DYHRBLDNZBUDPQ-MOPGFXCFSA-N 2 0 363.509 3.829 20 0 FHADRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1c(Cl)cccc1Cl ZINC000150763371 937151838 /nfs/dbraw/zinc/15/18/38/937151838.db2.gz SCYWBBXVCUNBCH-AWEZNQCLSA-N 2 0 370.324 3.740 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000643546746 927418309 /nfs/dbraw/zinc/41/83/09/927418309.db2.gz UHURAKISCOUAAF-JSGCOSHPSA-N 2 0 353.304 3.783 20 0 FHADRP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547180 927459044 /nfs/dbraw/zinc/45/90/44/927459044.db2.gz AQQZJAFYNLQNNA-SWLSCSKDSA-N 2 0 355.295 3.784 20 0 FHADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000583142202 937167053 /nfs/dbraw/zinc/16/70/53/937167053.db2.gz GYUMXCCHZPYSFG-WIYYLYMNSA-N 2 0 357.542 3.586 20 0 FHADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530463465 927569754 /nfs/dbraw/zinc/56/97/54/927569754.db2.gz BJFYGJYLPMVWIR-SVFBPWRDSA-N 2 0 364.574 3.690 20 0 FHADRP CCc1nn(C)c(CC)c1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000535943972 937174566 /nfs/dbraw/zinc/17/45/66/937174566.db2.gz ULWPNSREHRUNIK-ICSRJNTNSA-N 2 0 368.569 3.935 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510078996 927797402 /nfs/dbraw/zinc/79/74/02/927797402.db2.gz NNOZEIINWGZDDW-HSZRJFAPSA-N 2 0 357.586 3.846 20 0 FHADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000154468354 928844694 /nfs/dbraw/zinc/84/46/94/928844694.db2.gz UISYQZABPLNZES-INIZCTEOSA-N 2 0 368.363 3.517 20 0 FHADRP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274901775 929008896 /nfs/dbraw/zinc/00/88/96/929008896.db2.gz LKALYWICMLYAOE-PGRDOPGGSA-N 2 0 365.521 3.688 20 0 FHADRP Cc1nccn1CCC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430272531 929077305 /nfs/dbraw/zinc/07/73/05/929077305.db2.gz XZWUWKHRPOLOEJ-UHFFFAOYSA-N 2 0 357.889 3.671 20 0 FHADRP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274978095 929095840 /nfs/dbraw/zinc/09/58/40/929095840.db2.gz YYKBHOAFCWHVGH-WWPVKYPJSA-N 2 0 352.522 3.653 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180233264 929425405 /nfs/dbraw/zinc/42/54/05/929425405.db2.gz HIQBNSPCSAAKCZ-NRFANRHFSA-N 2 0 365.565 3.682 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC3 ZINC000180312854 929457945 /nfs/dbraw/zinc/45/79/45/929457945.db2.gz CZARLMXHHUYSHE-CEXWTWQISA-N 2 0 369.553 3.813 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000180402973 929496498 /nfs/dbraw/zinc/49/64/98/929496498.db2.gz LGIXUSPTCNBREJ-HXUWFJFHSA-N 2 0 350.572 3.894 20 0 FHADRP Cc1ccc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438940 929511195 /nfs/dbraw/zinc/51/11/95/929511195.db2.gz GQYVAGYZXXFCMW-NFBKMPQASA-N 2 0 351.538 3.558 20 0 FHADRP Cc1ccc(C)c([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000180463142 929517718 /nfs/dbraw/zinc/51/77/18/929517718.db2.gz KUABOMAQCURNCZ-REWPJTCUSA-N 2 0 351.538 3.618 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)[NH+](C)C)cc1 ZINC000275646498 929695515 /nfs/dbraw/zinc/69/55/15/929695515.db2.gz MGTOYEMCUNJRCM-OAQYLSRUSA-N 2 0 368.525 3.524 20 0 FHADRP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000275653889 929727813 /nfs/dbraw/zinc/72/78/13/929727813.db2.gz NDBPXJSXUSTSMZ-OAQYLSRUSA-N 2 0 365.521 3.641 20 0 FHADRP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683691389 929808202 /nfs/dbraw/zinc/80/82/02/929808202.db2.gz CCGXLKLCEAIWMP-JLLPCOHGSA-N 2 0 364.533 3.765 20 0 FHADRP O[C@@H](CCOCc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001167326817 929859818 /nfs/dbraw/zinc/85/98/18/929859818.db2.gz SOTGATHEGQJECT-GOTSBHOMSA-N 2 0 374.569 3.542 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)CC3 ZINC000123040149 929869492 /nfs/dbraw/zinc/86/94/92/929869492.db2.gz CISSGYXERDOKRG-GOSISDBHSA-N 2 0 363.505 3.885 20 0 FHADRP CC(C)c1oc([C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000583383959 937391626 /nfs/dbraw/zinc/39/16/26/937391626.db2.gz ABEZHADNCHLLNT-IBGZPJMESA-N 2 0 368.525 3.507 20 0 FHADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000150949687 937388646 /nfs/dbraw/zinc/38/86/46/937388646.db2.gz HWJSLINHTWFHSM-OAHLLOKOSA-N 2 0 371.541 3.720 20 0 FHADRP CCC[NH+]1CCC(Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000153749931 930188608 /nfs/dbraw/zinc/18/86/08/930188608.db2.gz FZXHCHUHIVTSCD-UHFFFAOYSA-N 2 0 372.557 3.787 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000580067797 930209131 /nfs/dbraw/zinc/20/91/31/930209131.db2.gz JSDUGHRBYKQORC-LPHOPBHVSA-N 2 0 371.550 3.971 20 0 FHADRP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000580182424 930338342 /nfs/dbraw/zinc/33/83/42/930338342.db2.gz UGOYSWHRDYCQJJ-INIZCTEOSA-N 2 0 367.522 3.654 20 0 FHADRP C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000580378688 930595090 /nfs/dbraw/zinc/59/50/90/930595090.db2.gz YHMLAJSTQKZLMB-FHWLQOOXSA-N 2 0 371.569 3.570 20 0 FHADRP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001167393472 930627715 /nfs/dbraw/zinc/62/77/15/930627715.db2.gz TXJHSXZUHCXIEK-QFBILLFUSA-N 2 0 356.514 3.626 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000683928105 930640583 /nfs/dbraw/zinc/64/05/83/930640583.db2.gz VGSIRTHWEGLEFV-UHFFFAOYSA-N 2 0 362.521 3.595 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000047910119 930672572 /nfs/dbraw/zinc/67/25/72/930672572.db2.gz MYEFIZGNFBBWCL-UHFFFAOYSA-N 2 0 374.573 3.591 20 0 FHADRP COc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)[NH+]2CCCCC2)cc1 ZINC000580768068 931129841 /nfs/dbraw/zinc/12/98/41/931129841.db2.gz LKRRPLCWTILADQ-ZRBLBEILSA-N 2 0 365.521 3.957 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000580801763 931165872 /nfs/dbraw/zinc/16/58/72/931165872.db2.gz WYSDEHUNVQQQMR-UONOGXRCSA-N 2 0 357.311 3.839 20 0 FHADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000126582927 931219087 /nfs/dbraw/zinc/21/90/87/931219087.db2.gz OTLLWWVUUNRJSZ-UHFFFAOYSA-N 2 0 360.546 3.724 20 0 FHADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000684112810 931353556 /nfs/dbraw/zinc/35/35/56/931353556.db2.gz CBODITSDYSHDAG-FCHUYYIVSA-N 2 0 366.553 3.948 20 0 FHADRP c1[nH]nc2cc(C[NH+]3C[C@@H]4CC[C@H]3[C@H]3C[N@H+](Cc5ccccc5)C[C@H]34)ccc12 ZINC000656404506 931593849 /nfs/dbraw/zinc/59/38/49/931593849.db2.gz ZMTGICAUYSFDFN-CDNNERCOSA-N 2 0 372.516 3.905 20 0 FHADRP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2CCC[NH+]2CCCCC2)cc1 ZINC000656407902 931598125 /nfs/dbraw/zinc/59/81/25/931598125.db2.gz UQJYNTWNWFZMSF-KEZOAJOQSA-N 2 0 367.581 3.705 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000581132918 931604834 /nfs/dbraw/zinc/60/48/34/931604834.db2.gz RRNLVFRTWNCTSB-QGZVFWFLSA-N 2 0 361.283 3.911 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000070870146 931640800 /nfs/dbraw/zinc/64/08/00/931640800.db2.gz MYFJYBGVGZYFMX-IBGZPJMESA-N 2 0 367.537 3.665 20 0 FHADRP COCCNc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000548155306 931709259 /nfs/dbraw/zinc/70/92/59/931709259.db2.gz RRYNRDDFCYMGHF-SIKLNZKXSA-N 2 0 367.537 3.745 20 0 FHADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000548156411 931716851 /nfs/dbraw/zinc/71/68/51/931716851.db2.gz GGQSNXHMBJQWOP-FUHWJXTLSA-N 2 0 357.464 3.686 20 0 FHADRP C[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548156336 931729396 /nfs/dbraw/zinc/72/93/96/931729396.db2.gz IOFONQSDDWWNLY-REWPJTCUSA-N 2 0 374.532 3.915 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430574046 931924465 /nfs/dbraw/zinc/92/44/65/931924465.db2.gz SDACETHMSDYEPL-QZTJIDSGSA-N 2 0 367.493 3.867 20 0 FHADRP C[NH+](C)Cc1ccc(-c2noc(-c3ccc4c(c3)[C@H](C[NH3+])CCC4)n2)cc1 ZINC000656560184 932072448 /nfs/dbraw/zinc/07/24/48/932072448.db2.gz NNOHUNLUPONXHL-IBGZPJMESA-N 2 0 362.477 3.844 20 0 FHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(-c2cccs2)c1 ZINC000581455969 932089444 /nfs/dbraw/zinc/08/94/44/932089444.db2.gz JOWAAUMBSKDFBD-UHFFFAOYSA-N 2 0 361.530 3.624 20 0 FHADRP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000317563835 932123712 /nfs/dbraw/zinc/12/37/12/932123712.db2.gz VNUYYKICLNHEIL-CABCVRRESA-N 2 0 360.299 3.714 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1cccs1 ZINC000564452591 932249264 /nfs/dbraw/zinc/24/92/64/932249264.db2.gz GWXFVBFPZHWSNY-UHOSZYNNSA-N 2 0 372.534 3.895 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784501 932419064 /nfs/dbraw/zinc/41/90/64/932419064.db2.gz BIUZOXDLWRPPLD-NRFANRHFSA-N 2 0 365.521 3.969 20 0 FHADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1OC ZINC000656784447 932419147 /nfs/dbraw/zinc/41/91/47/932419147.db2.gz DFGMGNHQVSOJLU-OAHLLOKOSA-N 2 0 352.906 3.569 20 0 FHADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(-c2ccnn2C)c1 ZINC000656787493 932426077 /nfs/dbraw/zinc/42/60/77/932426077.db2.gz ZJWMLENGOGGVKG-IBGZPJMESA-N 2 0 352.526 3.607 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1COc2ccccc2C1 ZINC000581740558 932583517 /nfs/dbraw/zinc/58/35/17/932583517.db2.gz DFRZITCXJSNUQM-DBXWQHBBSA-N 2 0 350.506 3.736 20 0 FHADRP Cc1ncc([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000090404921 932617303 /nfs/dbraw/zinc/61/73/03/932617303.db2.gz FYHDOOLOJAMOPP-QGZVFWFLSA-N 2 0 358.555 3.705 20 0 FHADRP Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000647183724 932731931 /nfs/dbraw/zinc/73/19/31/932731931.db2.gz KECNQBKHKCRCLE-UHFFFAOYSA-N 2 0 352.457 3.671 20 0 FHADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000581963948 933125931 /nfs/dbraw/zinc/12/59/31/933125931.db2.gz SUXCAIFNPMRIHC-YLJYHZDGSA-N 2 0 369.509 3.735 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650524 933354589 /nfs/dbraw/zinc/35/45/89/933354589.db2.gz KBQJCSJLIYINBK-XZOQPEGZSA-N 2 0 372.553 3.845 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000510674059 933395496 /nfs/dbraw/zinc/39/54/96/933395496.db2.gz GPVKFJDFULGQQS-OAQYLSRUSA-N 2 0 374.532 3.741 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000510674058 933395853 /nfs/dbraw/zinc/39/58/53/933395853.db2.gz GPVKFJDFULGQQS-NRFANRHFSA-N 2 0 374.532 3.741 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430932356 933426109 /nfs/dbraw/zinc/42/61/09/933426109.db2.gz FWBDPVBLPJYIQN-UHFFFAOYSA-N 2 0 358.917 3.718 20 0 FHADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000510701350 933458574 /nfs/dbraw/zinc/45/85/74/933458574.db2.gz HNSUVANSSMKIKL-NQERJWCQSA-N 2 0 366.496 3.643 20 0 FHADRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430945713 933461536 /nfs/dbraw/zinc/46/15/36/933461536.db2.gz SIXCNLIECZXONO-UHFFFAOYSA-N 2 0 367.493 3.739 20 0 FHADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430945955 933461901 /nfs/dbraw/zinc/46/19/01/933461901.db2.gz YUFFHIHIINAVPP-IRXDYDNUSA-N 2 0 351.494 3.740 20 0 FHADRP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956207 933516574 /nfs/dbraw/zinc/51/65/74/933516574.db2.gz MYYSVDONXTYRNT-MEDUHNTESA-N 2 0 355.345 3.821 20 0 FHADRP Cc1ccc(C)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000159335193 933552265 /nfs/dbraw/zinc/55/22/65/933552265.db2.gz ODZVBMMLADPSTC-UHFFFAOYSA-N 2 0 371.569 3.508 20 0 FHADRP CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000431032410 933709271 /nfs/dbraw/zinc/70/92/71/933709271.db2.gz CKJJBGBDSOEIQM-CTILAWNOSA-N 2 0 369.553 3.591 20 0 FHADRP Clc1ccc(Cc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000431039954 933720195 /nfs/dbraw/zinc/72/01/95/933720195.db2.gz KHUIOQDYZYWUJV-UHFFFAOYSA-N 2 0 361.942 3.963 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000510802070 933759162 /nfs/dbraw/zinc/75/91/62/933759162.db2.gz CQFDZTQAPNXDGJ-UHFFFAOYSA-N 2 0 371.569 3.913 20 0 FHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000510823396 933807099 /nfs/dbraw/zinc/80/70/99/933807099.db2.gz AUDGFSQRAIZQFV-UHFFFAOYSA-N 2 0 365.521 3.534 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 ZINC000132332506 934040312 /nfs/dbraw/zinc/04/03/12/934040312.db2.gz HRMXPBZJQARJDC-KBXCAEBGSA-N 2 0 358.357 3.916 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)N1CC[NH+](C)CC1 ZINC000132457374 934056205 /nfs/dbraw/zinc/05/62/05/934056205.db2.gz CIHHHLLBIVNRSL-USXIJHARSA-N 2 0 353.601 3.535 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)N1CC[NH+](C)CC1 ZINC000132457190 934056287 /nfs/dbraw/zinc/05/62/87/934056287.db2.gz CIHHHLLBIVNRSL-BHYGNILZSA-N 2 0 353.601 3.535 20 0 FHADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561413 934093121 /nfs/dbraw/zinc/09/31/21/934093121.db2.gz SFFJFTAADBVQGQ-VIQWUECVSA-N 2 0 352.563 3.989 20 0 FHADRP CC(C)Cc1ncc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000092587607 934098974 /nfs/dbraw/zinc/09/89/74/934098974.db2.gz LTECFIRILHFQSF-IAGOWNOFSA-N 2 0 365.587 3.663 20 0 FHADRP CCN(CC)C(=O)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000092593010 934100955 /nfs/dbraw/zinc/10/09/55/934100955.db2.gz JRRQKHKMCHQRHC-UHFFFAOYSA-N 2 0 373.585 3.725 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000247548713 934158206 /nfs/dbraw/zinc/15/82/06/934158206.db2.gz SAWLTONGZPUEAP-OKYOBFRVSA-N 2 0 357.542 3.590 20 0 FHADRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccc(I)cc1 ZINC000610799769 934426262 /nfs/dbraw/zinc/42/62/62/934426262.db2.gz QCTKCWSUHCNFKE-CJNGLKHVSA-N 2 0 372.294 3.674 20 0 FHADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000535818228 934445812 /nfs/dbraw/zinc/44/58/12/934445812.db2.gz DBAGMDVXVSATKH-HXUWFJFHSA-N 2 0 369.553 3.918 20 0 FHADRP Cc1nccn1CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000510990212 934549142 /nfs/dbraw/zinc/54/91/42/934549142.db2.gz AILDEHQPQKHMNQ-LBPRGKRZSA-N 2 0 354.267 3.704 20 0 FHADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090456760 934645651 /nfs/dbraw/zinc/64/56/51/934645651.db2.gz NRHNCXBSARUMAA-STQMWFEESA-N 2 0 357.311 3.839 20 0 FHADRP CC1CC[NH+]([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236660009 934759630 /nfs/dbraw/zinc/75/96/30/934759630.db2.gz NZZGWKRVWQOFTD-RTBURBONSA-N 2 0 371.550 3.727 20 0 FHADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000124518893 934831143 /nfs/dbraw/zinc/83/11/43/934831143.db2.gz KYBXFDNJOLVYLR-GOSISDBHSA-N 2 0 367.990 3.740 20 0 FHADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C(C)C)cc1 ZINC000537959420 934855368 /nfs/dbraw/zinc/85/53/68/934855368.db2.gz GJSJPCQKYJZING-YTFSRNRJSA-N 2 0 358.570 3.920 20 0 FHADRP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2c1C ZINC000472040786 934878745 /nfs/dbraw/zinc/87/87/45/934878745.db2.gz ABULURBXNIIWFM-NRFANRHFSA-N 2 0 363.505 3.641 20 0 FHADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000892043855 934881622 /nfs/dbraw/zinc/88/16/22/934881622.db2.gz YKACIUFHKYXPPR-GOSISDBHSA-N 2 0 372.557 3.646 20 0 FHADRP c1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000157466196 935075117 /nfs/dbraw/zinc/07/51/17/935075117.db2.gz PXHCKRUUHKZRNS-IBGZPJMESA-N 2 0 354.498 3.620 20 0 FHADRP CCN(CC)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccsc1 ZINC000657308621 935075291 /nfs/dbraw/zinc/07/52/91/935075291.db2.gz UWZWYEVXECHEPB-LJQANCHMSA-N 2 0 355.511 3.502 20 0 FHADRP c1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000157466332 935075319 /nfs/dbraw/zinc/07/53/19/935075319.db2.gz PXHCKRUUHKZRNS-LJQANCHMSA-N 2 0 354.498 3.620 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657310831 935098529 /nfs/dbraw/zinc/09/85/29/935098529.db2.gz GNNIGOVGHTZNBV-KRWDZBQOSA-N 2 0 352.526 3.962 20 0 FHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCCC2CCC2)CC1)Cc1ccccc1 ZINC001167529477 935135041 /nfs/dbraw/zinc/13/50/41/935135041.db2.gz NMTFFMXHNYDACT-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP C[C@H](CCO)C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000438825350 945082551 /nfs/dbraw/zinc/08/25/51/945082551.db2.gz IAUCOBOGPRIHNC-NQIIRXRSSA-N 2 0 350.522 3.987 20 0 FHADRP C[C@@H](Cc1ccsc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000544024234 935251490 /nfs/dbraw/zinc/25/14/90/935251490.db2.gz WDWDNZBMYDPXMW-RCCFBDPRSA-N 2 0 350.572 3.890 20 0 FHADRP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185940310 935315483 /nfs/dbraw/zinc/31/54/83/935315483.db2.gz JCSPWYLVESOVDM-UZLBHIALSA-N 2 0 354.498 3.561 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657353615 935329329 /nfs/dbraw/zinc/32/93/29/935329329.db2.gz IGAQLFKKZMUZHI-UHFFFAOYSA-N 2 0 372.944 3.948 20 0 FHADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC(C)(C)CCc4ccccc43)C2)CC1 ZINC000684773069 935331053 /nfs/dbraw/zinc/33/10/53/935331053.db2.gz XNGKIZRHQVSZDK-UGKGYDQZSA-N 2 0 355.570 3.848 20 0 FHADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000582192987 935391573 /nfs/dbraw/zinc/39/15/73/935391573.db2.gz ZYWBKRMJVGMUOT-TZIWHRDSSA-N 2 0 371.569 3.685 20 0 FHADRP c1cc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657369089 935412450 /nfs/dbraw/zinc/41/24/50/935412450.db2.gz XRAOHDVEZFRMEX-QFIPXVFZSA-N 2 0 362.477 3.841 20 0 FHADRP c1ccc(-c2cccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2)cc1 ZINC000506881083 935503460 /nfs/dbraw/zinc/50/34/60/935503460.db2.gz COTTXNXPTUDUMD-UHFFFAOYSA-N 2 0 350.506 3.898 20 0 FHADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)[C@H](c2ccccc2)C1 ZINC000647249212 935566870 /nfs/dbraw/zinc/56/68/70/935566870.db2.gz JJWSGWAUIFSDKJ-MOPGFXCFSA-N 2 0 352.507 3.573 20 0 FHADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000684837547 935592138 /nfs/dbraw/zinc/59/21/38/935592138.db2.gz KLVRCAAQCDTIPR-VGOFRKELSA-N 2 0 367.537 3.944 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000161251143 935633175 /nfs/dbraw/zinc/63/31/75/935633175.db2.gz LEEIUAIIWBIJCE-UHFFFAOYSA-N 2 0 358.526 3.694 20 0 FHADRP c1cn(C2CC[NH+](CCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)cn1 ZINC001167572555 935666553 /nfs/dbraw/zinc/66/65/53/935666553.db2.gz PCKQNEBOYXNSDO-UHFFFAOYSA-N 2 0 366.553 3.865 20 0 FHADRP CC1(C(=O)Nc2cccc3c2CC[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC000582414932 935669908 /nfs/dbraw/zinc/66/99/08/935669908.db2.gz DIJYGEOJGKJSNT-UHFFFAOYSA-N 2 0 363.505 3.573 20 0 FHADRP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H]3CO)cc21 ZINC000657428744 935703475 /nfs/dbraw/zinc/70/34/75/935703475.db2.gz AWPZQXGMGWXSKG-NRFANRHFSA-N 2 0 363.505 3.723 20 0 FHADRP c1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657438022 935745372 /nfs/dbraw/zinc/74/53/72/935745372.db2.gz HLFCHWWPGRGTOQ-UHFFFAOYSA-N 2 0 362.477 3.744 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452422 935805230 /nfs/dbraw/zinc/80/52/30/935805230.db2.gz FEUKPXQBKQTHOW-KRWDZBQOSA-N 2 0 374.326 3.764 20 0 FHADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000657452841 935809854 /nfs/dbraw/zinc/80/98/54/935809854.db2.gz KPDBLYTUOPFTSC-KNQAVFIVSA-N 2 0 368.521 3.712 20 0 FHADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc21 ZINC000439957790 945125597 /nfs/dbraw/zinc/12/55/97/945125597.db2.gz FHDROMYCBACRCM-HXUWFJFHSA-N 2 0 368.525 3.548 20 0 FHADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000159238251 935819133 /nfs/dbraw/zinc/81/91/33/935819133.db2.gz VRKMBBUSENQKFW-SFHVURJKSA-N 2 0 353.510 3.900 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001167586065 935846366 /nfs/dbraw/zinc/84/63/66/935846366.db2.gz GXYKNDASPNONHT-MSOLQXFVSA-N 2 0 355.567 3.876 20 0 FHADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)cc1F ZINC000051793710 935881832 /nfs/dbraw/zinc/88/18/32/935881832.db2.gz KBPWDXGNISTWMB-HXUWFJFHSA-N 2 0 352.469 3.586 20 0 FHADRP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684955800 935901668 /nfs/dbraw/zinc/90/16/68/935901668.db2.gz SYBQTHIARGPTDI-OAQYLSRUSA-N 2 0 351.494 3.723 20 0 FHADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1C(F)(F)F ZINC000657537163 935976060 /nfs/dbraw/zinc/97/60/60/935976060.db2.gz AOLMPKRZAPWRDF-UHFFFAOYSA-N 2 0 370.459 3.994 20 0 FHADRP Clc1ccccc1N1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657538205 935977608 /nfs/dbraw/zinc/97/76/08/935977608.db2.gz MSSMWEAADASHQT-MRXNPFEDSA-N 2 0 367.884 3.537 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)cc2)C1 ZINC000657597313 936072577 /nfs/dbraw/zinc/07/25/77/936072577.db2.gz TVLZFYAWJHTYMQ-OAHLLOKOSA-N 2 0 370.440 3.623 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)cc2)C1 ZINC000657596570 936072707 /nfs/dbraw/zinc/07/27/07/936072707.db2.gz OLCHDXGGFDFEAD-HSZRJFAPSA-N 2 0 373.500 3.605 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000657593579 936073452 /nfs/dbraw/zinc/07/34/52/936073452.db2.gz IIGNUUZDFGNSMS-QGZVFWFLSA-N 2 0 365.304 3.850 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)cc2)C1 ZINC000657594545 936074498 /nfs/dbraw/zinc/07/44/98/936074498.db2.gz BJPCIJKNEWWHPF-RJGXRXQPSA-N 2 0 350.506 3.679 20 0 FHADRP C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237478346 936076275 /nfs/dbraw/zinc/07/62/75/936076275.db2.gz VJHYCRNUXPKLAH-VQTJNVASSA-N 2 0 371.569 3.705 20 0 FHADRP COc1cc2cccnc2c(N(c2cccc(C[NH3+])c2)[C@@H](C)CCC[NH3+])c1 ZINC001167610657 936077258 /nfs/dbraw/zinc/07/72/58/936077258.db2.gz HDELGHKFNDUFNS-INIZCTEOSA-N 2 0 364.493 3.968 20 0 FHADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000237485906 936086903 /nfs/dbraw/zinc/08/69/03/936086903.db2.gz MTZAIVHCOIGRSS-LAUBAEHRSA-N 2 0 351.494 3.947 20 0 FHADRP Clc1cnc2oc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cc2c1 ZINC000657612589 936092696 /nfs/dbraw/zinc/09/26/96/936092696.db2.gz APMZVXNQRCCWRR-UHFFFAOYSA-N 2 0 370.884 3.878 20 0 FHADRP c1oc(-c2ccccc2)nc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611724 936093015 /nfs/dbraw/zinc/09/30/15/936093015.db2.gz DVPWRUGVVNFYGS-UHFFFAOYSA-N 2 0 362.477 3.738 20 0 FHADRP COc1ccccc1/C=C\C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613296 936093236 /nfs/dbraw/zinc/09/32/36/936093236.db2.gz XJCIBGRMUOAFRF-XQRVVYSFSA-N 2 0 351.494 3.605 20 0 FHADRP Cn1ccnc1C[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccccc1 ZINC000657648461 936151478 /nfs/dbraw/zinc/15/14/78/936151478.db2.gz LENKQMYZMDFZAA-MSOLQXFVSA-N 2 0 368.506 3.802 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000472264208 936154001 /nfs/dbraw/zinc/15/40/01/936154001.db2.gz VBFAHGSYHMGMOZ-PKOBYXMFSA-N 2 0 372.513 3.539 20 0 FHADRP C[C@H](CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC[NH2+]CC1 ZINC000237610196 936163321 /nfs/dbraw/zinc/16/33/21/936163321.db2.gz GNQUFBZTDSEBJO-RTBURBONSA-N 2 0 371.569 3.792 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237640641 936177774 /nfs/dbraw/zinc/17/77/74/936177774.db2.gz ZUIHWGKJCOLXOU-DYESRHJHSA-N 2 0 351.494 3.600 20 0 FHADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000237646867 936181753 /nfs/dbraw/zinc/18/17/53/936181753.db2.gz MTZAIVHCOIGRSS-DYESRHJHSA-N 2 0 351.494 3.947 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237685678 936207294 /nfs/dbraw/zinc/20/72/94/936207294.db2.gz FIGOZKOHLJTZMU-HDICACEKSA-N 2 0 365.521 3.553 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000237724322 936230878 /nfs/dbraw/zinc/23/08/78/936230878.db2.gz ZUIHWGKJCOLXOU-UTKZUKDTSA-N 2 0 351.494 3.600 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000582899176 936271039 /nfs/dbraw/zinc/27/10/39/936271039.db2.gz AJTLXIFXQSAXNO-ZPGKAZOCSA-N 2 0 366.505 3.519 20 0 FHADRP Fc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000583451774 938256970 /nfs/dbraw/zinc/25/69/70/938256970.db2.gz HAHMIYORCAECRZ-MYGLTJDJSA-N 2 0 366.480 3.914 20 0 FHADRP Fc1ccc2c(c1)OC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000583451776 938257046 /nfs/dbraw/zinc/25/70/46/938257046.db2.gz HAHMIYORCAECRZ-YUMYIRISSA-N 2 0 366.480 3.914 20 0 FHADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000150992926 938260142 /nfs/dbraw/zinc/26/01/42/938260142.db2.gz MYFOVXGKDXUYCC-GOSISDBHSA-N 2 0 368.363 3.516 20 0 FHADRP COCC[C@@H](c1ccccc1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536034199 938261735 /nfs/dbraw/zinc/26/17/35/938261735.db2.gz BJEOGMJFEAZLOS-JQVVWYNYSA-N 2 0 360.542 3.585 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156553657 938265696 /nfs/dbraw/zinc/26/56/96/938265696.db2.gz PSBHTNUMIYOASZ-GOSISDBHSA-N 2 0 365.521 3.704 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)C1 ZINC000650706269 938285439 /nfs/dbraw/zinc/28/54/39/938285439.db2.gz HPXVFMXZQSYFGZ-WHSLLNHNSA-N 2 0 358.457 3.804 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(OC(F)F)cc1C ZINC000650706583 938286518 /nfs/dbraw/zinc/28/65/18/938286518.db2.gz NZMMPOLIURFXOE-JQHSSLGASA-N 2 0 368.468 3.623 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000650708351 938288192 /nfs/dbraw/zinc/28/81/92/938288192.db2.gz YFQAZXPSSSVRAP-VBQJREDUSA-N 2 0 360.395 3.563 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000650707253 938289053 /nfs/dbraw/zinc/28/90/53/938289053.db2.gz BUUBMKWVNCAENN-FRFSOERESA-N 2 0 360.395 3.563 20 0 FHADRP Cc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708774 938291394 /nfs/dbraw/zinc/29/13/94/938291394.db2.gz MDIKRDUZWPNUKB-GUTXKFCHSA-N 2 0 373.360 3.537 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650713269 938298363 /nfs/dbraw/zinc/29/83/63/938298363.db2.gz MMBODDUPFDZDJV-UHFFFAOYSA-N 2 0 356.514 3.532 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000650718197 938305478 /nfs/dbraw/zinc/30/54/78/938305478.db2.gz BRDISQMTAREKED-UHFFFAOYSA-N 2 0 362.521 3.866 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(-c3ccccn3)c2)C1 ZINC000650722871 938309995 /nfs/dbraw/zinc/30/99/95/938309995.db2.gz CNQLOIYQDLFUMB-FCEUIQTBSA-N 2 0 351.494 3.609 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000650723178 938310181 /nfs/dbraw/zinc/31/01/81/938310181.db2.gz IKUWPFALWOJWHE-HJNYFJLDSA-N 2 0 369.484 3.749 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3)s2)C1 ZINC000650723627 938310776 /nfs/dbraw/zinc/31/07/76/938310776.db2.gz RBDINDKVTUQHIZ-SQNIBIBYSA-N 2 0 357.523 3.671 20 0 FHADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723772 938310936 /nfs/dbraw/zinc/31/09/36/938310936.db2.gz TVVQBHLDSZPKGD-KZNAEPCWSA-N 2 0 356.432 3.875 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H](NC[C@H]3CCCC[NH+]3C3CC3)CC23CC3)cc1 ZINC000583630197 938326262 /nfs/dbraw/zinc/32/62/62/938326262.db2.gz MYJVYBSWQREMJV-RBBKRZOGSA-N 2 0 353.554 3.790 20 0 FHADRP CC(C)[N@H+](C)CC1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000728571797 938332443 /nfs/dbraw/zinc/33/24/43/938332443.db2.gz LDROVXGEKHVJDA-UHFFFAOYSA-N 2 0 367.578 3.686 20 0 FHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000151095368 938350869 /nfs/dbraw/zinc/35/08/69/938350869.db2.gz RNJGNOGGRDVVOB-UONOGXRCSA-N 2 0 355.320 3.840 20 0 FHADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)C1 ZINC000151096476 938351398 /nfs/dbraw/zinc/35/13/98/938351398.db2.gz IKKRTGNZBJCBMX-ZWKOTPCHSA-N 2 0 360.546 3.943 20 0 FHADRP CN(c1ccccc1C[NH2+]CC1(CCO)CCCCC1)C1CC[NH+](C)CC1 ZINC000151098353 938353587 /nfs/dbraw/zinc/35/35/87/938353587.db2.gz ZTESNBPHDWEMST-UHFFFAOYSA-N 2 0 373.585 3.640 20 0 FHADRP CO[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000536112822 938376788 /nfs/dbraw/zinc/37/67/88/938376788.db2.gz OHDUEXJKKZFBLE-NRFANRHFSA-N 2 0 373.928 3.569 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000650756674 938417282 /nfs/dbraw/zinc/41/72/82/938417282.db2.gz HPXQBOHPXKISFD-UHFFFAOYSA-N 3 0 351.538 3.939 20 0 FHADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000278442635 938431439 /nfs/dbraw/zinc/43/14/39/938431439.db2.gz KPGYCADDESXSII-MUSUJDOFSA-N 3 0 353.554 3.646 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828237 938433825 /nfs/dbraw/zinc/43/38/25/938433825.db2.gz RPRIJSPHAPURAL-OAGGEKHMSA-N 2 0 372.431 3.599 20 0 FHADRP c1ccc(COc2cccc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c2)nc1 ZINC000657812139 938514892 /nfs/dbraw/zinc/51/48/92/938514892.db2.gz MZOQXBHRRYGWMR-UHFFFAOYSA-N 2 0 365.521 3.872 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)cc1OC ZINC000583995063 938525973 /nfs/dbraw/zinc/52/59/73/938525973.db2.gz ZXRJQDDNFKOVFW-HSZRJFAPSA-N 2 0 366.505 3.946 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000584004365 938534336 /nfs/dbraw/zinc/53/43/36/938534336.db2.gz JFKZFTRIWDTUGM-UHFFFAOYSA-N 2 0 362.521 3.595 20 0 FHADRP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000657837157 938669419 /nfs/dbraw/zinc/66/94/19/938669419.db2.gz QXZVYBMTZHIBHC-AUSIDOKSSA-N 2 0 374.569 3.982 20 0 FHADRP C[N@H+](CCCC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000926557602 938680211 /nfs/dbraw/zinc/68/02/11/938680211.db2.gz CYLRVONFYOJKIB-UHFFFAOYSA-N 2 0 365.562 3.630 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCn4nccc43)cc2)C1 ZINC000657839297 938691656 /nfs/dbraw/zinc/69/16/56/938691656.db2.gz RAMCCJOFKNQLHL-LVCYWYKZSA-N 2 0 352.526 3.986 20 0 FHADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc2cc(OC)ccc2c1 ZINC000151831063 938692391 /nfs/dbraw/zinc/69/23/91/938692391.db2.gz JKKNLSYZSGWCTC-QFIPXVFZSA-N 2 0 356.510 3.593 20 0 FHADRP CCOC1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000657841617 938700442 /nfs/dbraw/zinc/70/04/42/938700442.db2.gz PVMJKZWWNUZRQI-UHFFFAOYSA-N 2 0 373.585 3.522 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000151850753 938712136 /nfs/dbraw/zinc/71/21/36/938712136.db2.gz HOANNEWCKUWIEU-QHCPKHFHSA-N 2 0 352.522 3.654 20 0 FHADRP CC(C)Oc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506016938 945202488 /nfs/dbraw/zinc/20/24/88/945202488.db2.gz HPIKQKUVPJAUDF-UHFFFAOYSA-N 2 0 360.542 3.798 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000708530085 938802636 /nfs/dbraw/zinc/80/26/36/938802636.db2.gz WLWOEVXNYJJASM-HMXCVIKNSA-N 2 0 350.506 3.910 20 0 FHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc(C)c1F ZINC000090038629 938867946 /nfs/dbraw/zinc/86/79/46/938867946.db2.gz VKWWYCAUSPWEMN-KRWDZBQOSA-N 2 0 371.500 3.585 20 0 FHADRP C[C@H]1C[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000090708795 938881835 /nfs/dbraw/zinc/88/18/35/938881835.db2.gz JJJDXXCTNGHUTH-PKOBYXMFSA-N 2 0 370.566 3.612 20 0 FHADRP COC(=O)c1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000092821329 938921711 /nfs/dbraw/zinc/92/17/11/938921711.db2.gz JLGHOQSJLUMTNB-UHFFFAOYSA-N 2 0 371.481 3.508 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000657869338 938938251 /nfs/dbraw/zinc/93/82/51/938938251.db2.gz HPXNYKLTTHIKKU-SLYNCCJLSA-N 2 0 363.977 3.839 20 0 FHADRP C[C@@H]([NH2+][C@H](CN1CCN(C)CC1)c1ccccc1)c1ccc(C(F)F)nc1 ZINC000657869413 938938416 /nfs/dbraw/zinc/93/84/16/938938416.db2.gz WACGLWQSSDONBP-OXQOHEQNSA-N 2 0 374.479 3.659 20 0 FHADRP C[C@@H](c1ccccc1Br)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000138351552 938938773 /nfs/dbraw/zinc/93/87/73/938938773.db2.gz UWSKWKHKKGHNDN-HNNXBMFYSA-N 2 0 367.331 3.554 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657883636 938971544 /nfs/dbraw/zinc/97/15/44/938971544.db2.gz ZTSNXZAIWARBBC-IBGZPJMESA-N 2 0 358.917 3.873 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(N(C)C)c2)CC1 ZINC000151920854 938971621 /nfs/dbraw/zinc/97/16/21/938971621.db2.gz GJZZBBXGJICBOK-UHFFFAOYSA-N 2 0 366.553 3.574 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(-c2ccccc2)n1 ZINC000685456044 938987760 /nfs/dbraw/zinc/98/77/60/938987760.db2.gz NNBZRDNVGBHFMN-HXUWFJFHSA-N 2 0 372.582 3.658 20 0 FHADRP C[N@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457404 938987849 /nfs/dbraw/zinc/98/78/49/938987849.db2.gz BTSZJTOXSIEJAF-HXUWFJFHSA-N 2 0 353.510 3.547 20 0 FHADRP C[N@@H+]([C@@H]1CC[C@](C)(c2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458063 938988061 /nfs/dbraw/zinc/98/80/61/938988061.db2.gz ZPTTUPSVDZDXSO-VJBWXMMDSA-N 2 0 355.570 3.597 20 0 FHADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC000685453302 938988204 /nfs/dbraw/zinc/98/82/04/938988204.db2.gz IDHLCTVQRGASEC-UHFFFAOYSA-N 2 0 363.590 3.661 20 0 FHADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)CC1 ZINC000685462830 938988609 /nfs/dbraw/zinc/98/86/09/938988609.db2.gz OQOWOTTZTZMZHZ-QFIPXVFZSA-N 2 0 365.521 3.824 20 0 FHADRP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn21 ZINC000647363667 938993279 /nfs/dbraw/zinc/99/32/79/938993279.db2.gz GNPFMWFIDXZOLE-WBDAEOGXSA-N 2 0 374.532 3.970 20 0 FHADRP Cc1cccc2nc(CC[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)cn21 ZINC000647364751 938995949 /nfs/dbraw/zinc/99/59/49/938995949.db2.gz KXFYMCLRZISJQG-DYESRHJHSA-N 2 0 354.542 3.818 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657907602 938996388 /nfs/dbraw/zinc/99/63/88/938996388.db2.gz PPUQWRVOLIHDSF-JFSTXAPLSA-N 2 0 374.569 3.564 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657969713 939013480 /nfs/dbraw/zinc/01/34/80/939013480.db2.gz UDZAHVXPPNAPBB-UZLBHIALSA-N 2 0 365.477 3.635 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3nccs3)CC2)c1 ZINC000093371904 939015960 /nfs/dbraw/zinc/01/59/60/939015960.db2.gz JMTIIJSQVRAMEJ-SFHVURJKSA-N 2 0 358.555 3.705 20 0 FHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CCS2 ZINC000658069038 939021867 /nfs/dbraw/zinc/02/18/67/939021867.db2.gz KBAAYEAZDDWSOA-IBGZPJMESA-N 2 0 364.530 3.843 20 0 FHADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658136766 939030992 /nfs/dbraw/zinc/03/09/92/939030992.db2.gz FDMOXCDTSQIFIK-GCJKJVERSA-N 2 0 368.521 3.891 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C)ccc1OC ZINC000658141443 939034872 /nfs/dbraw/zinc/03/48/72/939034872.db2.gz XDBNFHSIPFIOIH-IFMALSPDSA-N 2 0 368.521 3.811 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658142639 939035373 /nfs/dbraw/zinc/03/53/73/939035373.db2.gz VSUWIQRGIZZFEE-GHTZIAJQSA-N 2 0 360.448 3.772 20 0 FHADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658142909 939035451 /nfs/dbraw/zinc/03/54/51/939035451.db2.gz ZVAVSQBZTVQTEG-ODOSVJCGSA-N 2 0 350.506 3.666 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)c(F)c1 ZINC000658138009 939040547 /nfs/dbraw/zinc/04/05/47/939040547.db2.gz LSLSBGPWLLPOBD-KDOFPFPSSA-N 2 0 362.876 3.897 20 0 FHADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165697 939053202 /nfs/dbraw/zinc/05/32/02/939053202.db2.gz KFZPXBSKKSEJLO-GOSISDBHSA-N 2 0 353.510 3.961 20 0 FHADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658166754 939053807 /nfs/dbraw/zinc/05/38/07/939053807.db2.gz OMHCXZOZBJNBHI-OAQYLSRUSA-N 2 0 356.489 3.815 20 0 FHADRP Oc1cccc2c1CCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168075 939054395 /nfs/dbraw/zinc/05/43/95/939054395.db2.gz VJGYCSYXZJVRNP-OAQYLSRUSA-N 2 0 351.494 3.666 20 0 FHADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCCO2 ZINC000658168820 939055570 /nfs/dbraw/zinc/05/55/70/939055570.db2.gz ZIUJGNRIFKGIDJ-NRFANRHFSA-N 2 0 369.484 3.936 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000658293466 939100453 /nfs/dbraw/zinc/10/04/53/939100453.db2.gz AOBYIOHEDANHIE-QGZVFWFLSA-N 2 0 365.606 3.902 20 0 FHADRP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320125 939110674 /nfs/dbraw/zinc/11/06/74/939110674.db2.gz NAPAWWYTTMROSU-PXNSSMCTSA-N 2 0 352.526 3.681 20 0 FHADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319442 939111461 /nfs/dbraw/zinc/11/14/61/939111461.db2.gz AWBXWBOIGIYVEY-FPOVZHCZSA-N 2 0 364.537 3.689 20 0 FHADRP c1cnc2c(c1)CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000421828814 939130323 /nfs/dbraw/zinc/13/03/23/939130323.db2.gz FKOQXBXVDVVZIH-OAQYLSRUSA-N 2 0 365.521 3.593 20 0 FHADRP COc1c(O)cccc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472372463 939173723 /nfs/dbraw/zinc/17/37/23/939173723.db2.gz XPHJXNIVPPSAFH-UXHICEINSA-N 2 0 354.494 3.573 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000516776002 945244837 /nfs/dbraw/zinc/24/48/37/945244837.db2.gz NEICTZLKIJYJME-UHFFFAOYSA-N 2 0 364.530 3.743 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414970102 945245550 /nfs/dbraw/zinc/24/55/50/945245550.db2.gz JYBIPSBPYZYYOB-IBGZPJMESA-N 2 0 360.933 3.823 20 0 FHADRP CC(C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCCC1 ZINC000507460631 945249273 /nfs/dbraw/zinc/24/92/73/945249273.db2.gz IXFAMGJIGFMIAR-SFHVURJKSA-N 2 0 363.512 3.893 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507459706 945249848 /nfs/dbraw/zinc/24/98/48/945249848.db2.gz GUIRTORZJWAVHS-MLDBQTBOSA-N 3 0 357.586 3.997 20 0 FHADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414901933 945250144 /nfs/dbraw/zinc/25/01/44/945250144.db2.gz GRAYWQDODKWKLH-FQEVSTJZSA-N 2 0 360.523 3.815 20 0 FHADRP CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000518250475 945253083 /nfs/dbraw/zinc/25/30/83/945253083.db2.gz GVUPQYNCBLUGNA-HXUWFJFHSA-N 2 0 371.569 3.588 20 0 FHADRP CSC1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC[NH+](C)CC1 ZINC000516819930 945260602 /nfs/dbraw/zinc/26/06/02/945260602.db2.gz KTGLUPGRZZAAPG-LJQANCHMSA-N 2 0 360.567 3.806 20 0 FHADRP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507487533 945275150 /nfs/dbraw/zinc/27/51/50/945275150.db2.gz RIRRBEAABZPHKY-VAMGGRTRSA-N 2 0 358.526 3.609 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCOC1 ZINC000507516750 945280065 /nfs/dbraw/zinc/28/00/65/945280065.db2.gz XRFACYNMPBNZGU-QFBILLFUSA-N 2 0 350.934 3.957 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000132713504 939898273 /nfs/dbraw/zinc/89/82/73/939898273.db2.gz MYGAGHSKPZKNGF-QFIPXVFZSA-N 2 0 354.469 3.560 20 0 FHADRP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431635628 939913468 /nfs/dbraw/zinc/91/34/68/939913468.db2.gz LQZHORIRCAHBDF-JOCHJYFZSA-N 2 0 369.553 3.696 20 0 FHADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548909385 939943935 /nfs/dbraw/zinc/94/39/35/939943935.db2.gz KAOCDTHFUOLIRO-INIZCTEOSA-N 2 0 374.447 3.846 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@@H]21 ZINC000375836174 939957647 /nfs/dbraw/zinc/95/76/47/939957647.db2.gz BJKWVRZFPTYKPA-LNLFQRSKSA-N 2 0 356.539 3.600 20 0 FHADRP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507508230 945287481 /nfs/dbraw/zinc/28/74/81/945287481.db2.gz JHQSITUYCKCNHE-BVSLBCMMSA-N 2 0 360.505 3.606 20 0 FHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507508666 945288592 /nfs/dbraw/zinc/28/85/92/945288592.db2.gz KAAUVLCYSPJWHO-FCHUYYIVSA-N 2 0 369.553 3.571 20 0 FHADRP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569971757 940066892 /nfs/dbraw/zinc/06/68/92/940066892.db2.gz FUNLFVOAGVORMZ-HZSPNIEDSA-N 2 0 370.324 3.642 20 0 FHADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000507536273 945295615 /nfs/dbraw/zinc/29/56/15/945295615.db2.gz WLXJOJWILQQYKX-RYFAJOAYSA-N 2 0 356.554 3.675 20 0 FHADRP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+](C2CCC2)C1 ZINC000413837905 940170975 /nfs/dbraw/zinc/17/09/75/940170975.db2.gz RWKSXBLHKDEZSJ-IBGZPJMESA-N 2 0 369.553 3.619 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[C@H](C)C1 ZINC000584499354 940269934 /nfs/dbraw/zinc/26/99/34/940269934.db2.gz HVXSQEKHZLGBKD-YJMBLLCNSA-N 2 0 360.542 3.633 20 0 FHADRP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000570480390 940324825 /nfs/dbraw/zinc/32/48/25/940324825.db2.gz PPHTUHHMASTECH-SSZFMOIBSA-N 2 0 356.432 3.811 20 0 FHADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000548979060 940411973 /nfs/dbraw/zinc/41/19/73/940411973.db2.gz SBLIIEDXDHLXFN-PMACEKPBSA-N 2 0 371.569 3.770 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000431734566 940438642 /nfs/dbraw/zinc/43/86/42/940438642.db2.gz WSRUBZRXPHHOPP-KNQAVFIVSA-N 2 0 371.569 3.942 20 0 FHADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CC[NH+](C)CC1 ZINC000414053372 940457754 /nfs/dbraw/zinc/45/77/54/940457754.db2.gz ATOSSDMLNMURMR-GIVPXCGWSA-N 2 0 363.977 3.838 20 0 FHADRP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000685849376 940463742 /nfs/dbraw/zinc/46/37/42/940463742.db2.gz WLHSSBVWBVDPMI-HXUWFJFHSA-N 2 0 360.542 3.941 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414063964 940472505 /nfs/dbraw/zinc/47/25/05/940472505.db2.gz DHOCVIMZDXBMNG-QFUCXCTJSA-N 2 0 363.977 3.839 20 0 FHADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000531142551 940472592 /nfs/dbraw/zinc/47/25/92/940472592.db2.gz ODZNGGQVXSIQAD-UHFFFAOYSA-N 2 0 374.481 3.581 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414070057 940476545 /nfs/dbraw/zinc/47/65/45/940476545.db2.gz RZHBXJSWDRDZED-CTNGQTDRSA-N 2 0 363.977 3.983 20 0 FHADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414093424 940498125 /nfs/dbraw/zinc/49/81/25/940498125.db2.gz NYYYRHQTMLOCGT-NASSWSRMSA-N 2 0 362.945 3.944 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000431783663 940498133 /nfs/dbraw/zinc/49/81/33/940498133.db2.gz UTIHMZVRCKSDHS-MOPGFXCFSA-N 2 0 361.530 3.576 20 0 FHADRP C[NH+](C)CC(C)(C)CNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112370562 945328263 /nfs/dbraw/zinc/32/82/63/945328263.db2.gz OTOHYSFFRRZGCJ-UHFFFAOYSA-N 2 0 365.319 3.517 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000163544460 940592297 /nfs/dbraw/zinc/59/22/97/940592297.db2.gz CQQQBLOAUKHQGO-QGZVFWFLSA-N 2 0 374.550 3.783 20 0 FHADRP COc1ccccc1C[NH+](C)C/C=C/C[N@@H+](C)Cc1ccccc1OC ZINC000613360861 940630590 /nfs/dbraw/zinc/63/05/90/940630590.db2.gz RAHKFICZNZYCNP-MDZDMXLPSA-N 2 0 354.494 3.824 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414151694 940680967 /nfs/dbraw/zinc/68/09/67/940680967.db2.gz ZBCFUIRVLVFSPL-SLYNCCJLSA-N 2 0 363.977 3.982 20 0 FHADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1I ZINC000414184869 940726774 /nfs/dbraw/zinc/72/67/74/940726774.db2.gz OOZLWACMNMDXKO-ZIAGYGMSSA-N 2 0 372.294 3.674 20 0 FHADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000414189905 940737368 /nfs/dbraw/zinc/73/73/68/940737368.db2.gz RNEVGFAUCDKVKM-GOEBONIOSA-N 2 0 361.921 3.612 20 0 FHADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1 ZINC000414195896 940744900 /nfs/dbraw/zinc/74/49/00/940744900.db2.gz VDXADMGORSAGAY-KBPBESRZSA-N 2 0 372.294 3.674 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000613492344 940776023 /nfs/dbraw/zinc/77/60/23/940776023.db2.gz IJUKTSKVIRRKGV-FQEVSTJZSA-N 2 0 373.585 3.925 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892579557 940825799 /nfs/dbraw/zinc/82/57/99/940825799.db2.gz ATHHGGFTLPVLIH-QGZVFWFLSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414300432 940915435 /nfs/dbraw/zinc/91/54/35/940915435.db2.gz IXPNLBVEHKBKPV-LJQANCHMSA-N 2 0 370.512 3.764 20 0 FHADRP Cc1cccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000414300892 940916705 /nfs/dbraw/zinc/91/67/05/940916705.db2.gz JEBPZIJQOKEGGR-FQEVSTJZSA-N 2 0 352.522 3.981 20 0 FHADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414305041 940932005 /nfs/dbraw/zinc/93/20/05/940932005.db2.gz YEKMWFHIFLJTFR-RXVVDRJESA-N 2 0 370.512 3.587 20 0 FHADRP OC1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000414307273 940933712 /nfs/dbraw/zinc/93/37/12/940933712.db2.gz OZEMTRNSGHNXSS-XZOQPEGZSA-N 2 0 364.533 3.939 20 0 FHADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000414313975 940947652 /nfs/dbraw/zinc/94/76/52/940947652.db2.gz ZDURFBZKFRXAHN-VJBMBRPKSA-N 2 0 364.533 3.795 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414319805 940963291 /nfs/dbraw/zinc/96/32/91/940963291.db2.gz ANOWZKMGSXUMFJ-QFIPXVFZSA-N 2 0 365.521 3.625 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414319803 940963441 /nfs/dbraw/zinc/96/34/41/940963441.db2.gz ANOWZKMGSXUMFJ-JOCHJYFZSA-N 2 0 365.521 3.625 20 0 FHADRP CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414320001 940964035 /nfs/dbraw/zinc/96/40/35/940964035.db2.gz AWCNCXBADMCBGD-DYESRHJHSA-N 2 0 359.558 3.688 20 0 FHADRP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414328655 940979408 /nfs/dbraw/zinc/97/94/08/940979408.db2.gz AKAQOGDWVBRXFN-KRWDZBQOSA-N 2 0 359.558 3.688 20 0 FHADRP Cc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1C(F)(F)F ZINC000414361048 941051232 /nfs/dbraw/zinc/05/12/32/941051232.db2.gz BFOJDUCJQNGOBK-UHFFFAOYSA-N 2 0 367.415 3.639 20 0 FHADRP c1cncc(COc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c1 ZINC000647542768 941062447 /nfs/dbraw/zinc/06/24/47/941062447.db2.gz BOGPZNQKBHVNED-YADHBBJMSA-N 2 0 365.521 3.872 20 0 FHADRP c1cnn(-c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2)c1 ZINC000057888643 941066142 /nfs/dbraw/zinc/06/61/42/941066142.db2.gz GHEQBGCVYMVDOH-UHFFFAOYSA-N 2 0 352.526 3.960 20 0 FHADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889206 941067285 /nfs/dbraw/zinc/06/72/85/941067285.db2.gz VXGPHILURDWPKS-FPOVZHCZSA-N 2 0 363.590 3.754 20 0 FHADRP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889393 941067857 /nfs/dbraw/zinc/06/78/57/941067857.db2.gz HHDDZJSLHWRFIZ-HXUWFJFHSA-N 2 0 371.569 3.588 20 0 FHADRP C[N@H+](CCCO)C1CCN(CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000115548794 941133531 /nfs/dbraw/zinc/13/35/31/941133531.db2.gz IANJJKRCIGUKLQ-UHFFFAOYSA-N 2 0 362.558 3.532 20 0 FHADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000659274712 941142561 /nfs/dbraw/zinc/14/25/61/941142561.db2.gz QFTKVOLXBULICY-QFIPXVFZSA-N 2 0 363.505 3.523 20 0 FHADRP Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c(C[NH+](C)C)c1 ZINC000659285960 941147139 /nfs/dbraw/zinc/14/71/39/941147139.db2.gz ULTNAZACRPZFNU-SFHVURJKSA-N 2 0 351.494 3.688 20 0 FHADRP CCOc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000311565059 941332282 /nfs/dbraw/zinc/33/22/82/941332282.db2.gz YUIVFNSNWZFSNZ-QFIPXVFZSA-N 2 0 354.494 3.793 20 0 FHADRP C[C@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376639035 941370297 /nfs/dbraw/zinc/37/02/97/941370297.db2.gz ZOHCZWPHHIAFSN-FDDCHVKYSA-N 2 0 361.533 3.714 20 0 FHADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414857413 941487899 /nfs/dbraw/zinc/48/78/99/941487899.db2.gz PKOLQRPFEKVDJL-VQIMIIECSA-N 2 0 372.484 3.891 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2c2ccccc2OC)cc1 ZINC000643057876 941535250 /nfs/dbraw/zinc/53/52/50/941535250.db2.gz RDVMCKHFOSALDQ-RXVVDRJESA-N 2 0 354.494 3.973 20 0 FHADRP Cc1cc(Br)cc(C[NH2+][C@H](C)CCC[NH3+])c1OC(F)F ZINC000415015941 941542839 /nfs/dbraw/zinc/54/28/39/941542839.db2.gz BOIZGDBDJBHXSS-SNVBAGLBSA-N 2 0 351.235 3.576 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415030749 941554864 /nfs/dbraw/zinc/55/48/64/941554864.db2.gz GEOPUJGPTWVYHT-APWZRJJASA-N 2 0 358.457 3.630 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000415031886 941555839 /nfs/dbraw/zinc/55/58/39/941555839.db2.gz HJOAIFJTEODHCX-IEBWSBKVSA-N 2 0 366.534 3.877 20 0 FHADRP CCOc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415037848 941558535 /nfs/dbraw/zinc/55/85/35/941558535.db2.gz MQLDQQBEUGMQSW-ICSRJNTNSA-N 2 0 354.494 3.881 20 0 FHADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000468560219 941562030 /nfs/dbraw/zinc/56/20/30/941562030.db2.gz MQKZGPMFWDWQCU-RTBURBONSA-N 2 0 350.934 3.801 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415067889 941583725 /nfs/dbraw/zinc/58/37/25/941583725.db2.gz LNQPRHUKCWSEFE-UHFFFAOYSA-N 2 0 356.514 3.545 20 0 FHADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415076830 941587381 /nfs/dbraw/zinc/58/73/81/941587381.db2.gz BNOAMRZVLQMRTO-UONOGXRCSA-N 2 0 357.325 3.629 20 0 FHADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415078648 941591084 /nfs/dbraw/zinc/59/10/84/941591084.db2.gz GPNRERJSHHJTIK-ZTFGCOKTSA-N 2 0 363.343 3.991 20 0 FHADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000415078636 941591173 /nfs/dbraw/zinc/59/11/73/941591173.db2.gz GSMREFYKYYNZRP-GJZGRUSLSA-N 2 0 370.368 3.936 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415097787 941602826 /nfs/dbraw/zinc/60/28/26/941602826.db2.gz DMCKGRLWXVOSLF-QFBILLFUSA-N 2 0 365.512 3.830 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000415122052 941618734 /nfs/dbraw/zinc/61/87/34/941618734.db2.gz JHDYMAAOSKUYNE-UGKGYDQZSA-N 2 0 358.526 3.726 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415122814 941619109 /nfs/dbraw/zinc/61/91/09/941619109.db2.gz ISBPKYXSLJGHMX-APWZRJJASA-N 2 0 354.494 3.788 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000415122714 941619566 /nfs/dbraw/zinc/61/95/66/941619566.db2.gz KLOSLIIRJPURGL-HRAATJIYSA-N 2 0 358.457 3.804 20 0 FHADRP CC[C@H](Cc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415123950 941619920 /nfs/dbraw/zinc/61/99/20/941619920.db2.gz BONZEWJMRUGOKC-JOCHJYFZSA-N 2 0 351.538 3.591 20 0 FHADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000415124754 941620564 /nfs/dbraw/zinc/62/05/64/941620564.db2.gz RMBDXWSCTUGOJG-CABCVRRESA-N 2 0 370.368 3.936 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccc(F)cc1 ZINC000415134863 941621962 /nfs/dbraw/zinc/62/19/62/941621962.db2.gz WHBPJZWFZRAFEH-VQIMIIECSA-N 2 0 372.484 3.830 20 0 FHADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415136301 941622250 /nfs/dbraw/zinc/62/22/50/941622250.db2.gz RKQODZUDESURNO-PMOQBDJRSA-N 2 0 363.549 3.762 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCc3c(F)cccc3Cl)CC2)C1 ZINC000415127765 941622720 /nfs/dbraw/zinc/62/27/20/941622720.db2.gz RETYMQSTSPJLGY-HNAYVOBHSA-N 2 0 354.897 3.630 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)ccc2c1 ZINC000415131973 941625192 /nfs/dbraw/zinc/62/51/92/941625192.db2.gz SWHFLAQHHHHDHC-YADHBBJMSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1oc2ccccc2c1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415136751 941626437 /nfs/dbraw/zinc/62/64/37/941626437.db2.gz RVEFBNPMILRXLE-UHFFFAOYSA-N 2 0 363.505 3.824 20 0 FHADRP Cc1ccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(OCC[NH+](C)C)c1 ZINC000415200442 941669573 /nfs/dbraw/zinc/66/95/73/941669573.db2.gz FJOXBBYQWUHBSH-OAHLLOKOSA-N 2 0 356.470 3.599 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000377382784 941683613 /nfs/dbraw/zinc/68/36/13/941683613.db2.gz MMFZFRQFAVOUNH-NQIIRXRSSA-N 2 0 368.525 3.623 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc21 ZINC000549236905 941689995 /nfs/dbraw/zinc/68/99/95/941689995.db2.gz HRIDIFJBUIYJCV-WOJBJXKFSA-N 2 0 358.526 3.880 20 0 FHADRP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377404229 941697434 /nfs/dbraw/zinc/69/74/34/941697434.db2.gz PMBPOKWZSZNWHW-CTNGQTDRSA-N 2 0 374.550 3.694 20 0 FHADRP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000377404235 941698104 /nfs/dbraw/zinc/69/81/04/941698104.db2.gz PMBPOKWZSZNWHW-TZIWHRDSSA-N 2 0 374.550 3.694 20 0 FHADRP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000549250260 941753240 /nfs/dbraw/zinc/75/32/40/941753240.db2.gz BAKJNRBYOVDFON-IBGZPJMESA-N 2 0 354.542 3.997 20 0 FHADRP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513195461 941770805 /nfs/dbraw/zinc/77/08/05/941770805.db2.gz BVQPWLXZODHSHO-ZOSBBBERSA-N 2 0 374.492 3.997 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000513203721 941779241 /nfs/dbraw/zinc/77/92/41/941779241.db2.gz IYOVIYLXICGJTG-WIYYLYMNSA-N 2 0 365.606 3.509 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])c2)CC1 ZINC000415390372 941794846 /nfs/dbraw/zinc/79/48/46/941794846.db2.gz KERJKPVZCLQDPO-NQIIRXRSSA-N 2 0 372.557 3.552 20 0 FHADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000892977459 941831098 /nfs/dbraw/zinc/83/10/98/941831098.db2.gz NZDIWYQFWWKZJQ-YOYVGRRSSA-N 2 0 364.493 3.610 20 0 FHADRP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c(C2CC2)n1 ZINC000893019932 941895193 /nfs/dbraw/zinc/89/51/93/941895193.db2.gz XMVYFZCVTYGNTI-UHFFFAOYSA-N 2 0 364.493 3.812 20 0 FHADRP CCCCc1oc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000513472268 941951770 /nfs/dbraw/zinc/95/17/70/941951770.db2.gz BGMFXFIBIDHYFL-IBGZPJMESA-N 2 0 369.553 3.987 20 0 FHADRP O[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CN1CCc2ccccc2C1 ZINC000513473214 941952087 /nfs/dbraw/zinc/95/20/87/941952087.db2.gz ULIFVNICTDPBEA-FGZHOGPDSA-N 2 0 370.924 3.800 20 0 FHADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)o1 ZINC000377761123 941967051 /nfs/dbraw/zinc/96/70/51/941967051.db2.gz LGWNIPJPNHSPIW-UTKZUKDTSA-N 2 0 350.466 3.761 20 0 FHADRP COc1ccccc1-n1nccc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000430016305 941985959 /nfs/dbraw/zinc/98/59/59/941985959.db2.gz PPGYWJFWBUTQEX-UHFFFAOYSA-N 2 0 356.514 3.627 20 0 FHADRP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1O ZINC000513546739 942006194 /nfs/dbraw/zinc/00/61/94/942006194.db2.gz ZMLJNISPGPYCFK-XLIONFOSSA-N 2 0 354.494 3.791 20 0 FHADRP Cn1nc(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1Cl ZINC000377859692 942037977 /nfs/dbraw/zinc/03/79/77/942037977.db2.gz JFLRRMWDDREWHJ-OAHLLOKOSA-N 2 0 369.900 3.631 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)ccc21 ZINC000415790949 942050431 /nfs/dbraw/zinc/05/04/31/942050431.db2.gz QAYHHODVIUZGNO-JRGCBEDISA-N 2 0 370.541 3.622 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cn3ccsc3n2)CC1 ZINC000513668510 942064970 /nfs/dbraw/zinc/06/49/70/942064970.db2.gz ZRJUAYUNMZLMON-UHFFFAOYSA-N 2 0 354.523 3.929 20 0 FHADRP COC(=O)C[C@@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1C ZINC000280130610 942116534 /nfs/dbraw/zinc/11/65/34/942116534.db2.gz DCVRJHARVSSGFV-XGHQBKJUSA-N 2 0 373.541 3.607 20 0 FHADRP COC(=O)C[C@@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1C ZINC000280130598 942116806 /nfs/dbraw/zinc/11/68/06/942116806.db2.gz DCVRJHARVSSGFV-FIKGOQFSSA-N 2 0 373.541 3.607 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000415905869 942133928 /nfs/dbraw/zinc/13/39/28/942133928.db2.gz JCHQLKQIUHAUCY-AZUAARDMSA-N 2 0 372.557 3.914 20 0 FHADRP CCN(C(=O)Nc1ccccc1C[NH2+]C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415917389 942141586 /nfs/dbraw/zinc/14/15/86/942141586.db2.gz DDCOFBHGPPUUHT-HXUWFJFHSA-N 2 0 366.509 3.534 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415921867 942149294 /nfs/dbraw/zinc/14/92/94/942149294.db2.gz SJPZQNCTOZMHRO-UHFFFAOYSA-N 2 0 354.498 3.522 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000415925695 942154924 /nfs/dbraw/zinc/15/49/24/942154924.db2.gz BLFWMZGKAYHNDS-JXFKEZNVSA-N 2 0 354.498 3.527 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415934250 942159995 /nfs/dbraw/zinc/15/99/95/942159995.db2.gz RDRCSGLIDNNJRD-UHFFFAOYSA-N 2 0 374.554 3.843 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415926478 942162428 /nfs/dbraw/zinc/16/24/28/942162428.db2.gz ZKGIZJQNLGJWIL-FUHWJXTLSA-N 2 0 358.530 3.571 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000415940948 942172079 /nfs/dbraw/zinc/17/20/79/942172079.db2.gz FSOGGNUZXNMTTD-UHFFFAOYSA-N 2 0 372.488 3.531 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000415942922 942174406 /nfs/dbraw/zinc/17/44/06/942174406.db2.gz KSLIYGHALMOOGN-NRFANRHFSA-N 2 0 366.509 3.755 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000415943301 942174517 /nfs/dbraw/zinc/17/45/17/942174517.db2.gz LJBSGKCKQQQSMV-SFHVURJKSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000415942930 942174609 /nfs/dbraw/zinc/17/46/09/942174609.db2.gz KUHVQZNBWLNSTK-UHFFFAOYSA-N 2 0 368.525 3.960 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000415945613 942179674 /nfs/dbraw/zinc/17/96/74/942179674.db2.gz RSDHZUCSIHYLCI-NRFANRHFSA-N 2 0 366.509 3.534 20 0 FHADRP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000502048401 942199060 /nfs/dbraw/zinc/19/90/60/942199060.db2.gz XQYZORRJPXBYRO-CTNGQTDRSA-N 2 0 357.542 3.571 20 0 FHADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415962960 942202064 /nfs/dbraw/zinc/20/20/64/942202064.db2.gz UQTGHCGJUAJQMY-WBMJQRKESA-N 2 0 372.435 3.501 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000415964283 942202826 /nfs/dbraw/zinc/20/28/26/942202826.db2.gz ZNWHFRLIILKUOS-FQEVSTJZSA-N 2 0 366.509 3.534 20 0 FHADRP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000415975701 942218990 /nfs/dbraw/zinc/21/89/90/942218990.db2.gz MUFWVGHEGVIPLM-UTKZUKDTSA-N 2 0 366.509 3.835 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)C1 ZINC000415973238 942219062 /nfs/dbraw/zinc/21/90/62/942219062.db2.gz JGGDBCVSCIYMRY-QGZVFWFLSA-N 2 0 366.509 3.699 20 0 FHADRP CC(C)(C)[NH+]1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415975308 942227882 /nfs/dbraw/zinc/22/78/82/942227882.db2.gz SQYMRCZVSYNWGQ-UHFFFAOYSA-N 2 0 372.435 3.549 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000420972364 942285827 /nfs/dbraw/zinc/28/58/27/942285827.db2.gz ANLUEWSXFVEBKU-GOSISDBHSA-N 2 0 363.977 3.936 20 0 FHADRP CC(=O)c1ccccc1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501068518 942287998 /nfs/dbraw/zinc/28/79/98/942287998.db2.gz MJOFZIWRQOSBHJ-UHFFFAOYSA-N 2 0 367.493 3.511 20 0 FHADRP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501074123 942295779 /nfs/dbraw/zinc/29/57/79/942295779.db2.gz BTGPCZUTZJCCGG-SFHVURJKSA-N 2 0 366.509 3.565 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000502293279 942336146 /nfs/dbraw/zinc/33/61/46/942336146.db2.gz ZWDAAUYRAGSERC-OXJNMPFZSA-N 2 0 350.547 3.899 20 0 FHADRP Cc1ncc(CN2CC[C@@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)[C@H](C)C2)s1 ZINC000378184168 942364515 /nfs/dbraw/zinc/36/45/15/942364515.db2.gz MEVYBSMFVYSSOT-DNVCBOLYSA-N 2 0 364.603 3.514 20 0 FHADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416134954 942380098 /nfs/dbraw/zinc/38/00/98/942380098.db2.gz QBFWOCRZPKSZPW-COPCDDAFSA-N 2 0 365.521 3.631 20 0 FHADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)oc1C ZINC000502428260 942441488 /nfs/dbraw/zinc/44/14/88/942441488.db2.gz DDYVGWACUZCCQH-KRWDZBQOSA-N 2 0 369.509 3.573 20 0 FHADRP CC1CC[NH+](C2CCC(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000416182354 942446596 /nfs/dbraw/zinc/44/65/96/942446596.db2.gz VENSHJFRGSTXLB-LZBANZJXSA-N 2 0 371.569 3.839 20 0 FHADRP c1c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414827202 942475048 /nfs/dbraw/zinc/47/50/48/942475048.db2.gz GVNYFDDYNGLKNX-LJQANCHMSA-N 2 0 360.505 3.688 20 0 FHADRP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000501491936 942500800 /nfs/dbraw/zinc/50/08/00/942500800.db2.gz PPLZFAGPQYJRHQ-QCUIPMNBSA-N 2 0 370.459 3.935 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414832589 942505905 /nfs/dbraw/zinc/50/59/05/942505905.db2.gz QVQZVZLXJJGPMS-IBGZPJMESA-N 2 0 360.505 3.937 20 0 FHADRP Brc1cccc(-c2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)c1 ZINC000414834875 942516324 /nfs/dbraw/zinc/51/63/24/942516324.db2.gz RBICPYUTFBFDDF-GFCCVEGCSA-N 2 0 366.328 3.662 20 0 FHADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370138 942521701 /nfs/dbraw/zinc/52/17/01/942521701.db2.gz JCSODGKZPHWCSE-LRVUVFPRSA-N 2 0 357.311 3.982 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000421370527 942521746 /nfs/dbraw/zinc/52/17/46/942521746.db2.gz JQXWMMVWARCYEQ-ACBHZAAOSA-N 2 0 366.933 3.860 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421372770 942522977 /nfs/dbraw/zinc/52/29/77/942522977.db2.gz YXQXHABCISNJRI-UHFFFAOYSA-N 2 0 350.506 3.811 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1Cl ZINC000421379176 942529092 /nfs/dbraw/zinc/52/90/92/942529092.db2.gz WKQAUCAANRCUNU-HPUBIQBYSA-N 2 0 351.922 3.828 20 0 FHADRP CN(c1ccccc1C[NH2+]C[C@H]1CC12CCSCC2)C1CC[NH+](C)CC1 ZINC000421384310 942538267 /nfs/dbraw/zinc/53/82/67/942538267.db2.gz PBANEKJPEIJIRB-LJQANCHMSA-N 2 0 373.610 3.840 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414843185 942571683 /nfs/dbraw/zinc/57/16/83/942571683.db2.gz PUWNEIGVKGWWFB-KRWDZBQOSA-N 2 0 370.541 3.793 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000420295870 942598654 /nfs/dbraw/zinc/59/86/54/942598654.db2.gz BBVZVIWWANSQGQ-DYESRHJHSA-N 2 0 370.493 3.592 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000420297641 942599098 /nfs/dbraw/zinc/59/90/98/942599098.db2.gz RIWDRQFVRLDZDD-NRFANRHFSA-N 2 0 351.494 3.606 20 0 FHADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+](CC)CC ZINC000513909463 942601645 /nfs/dbraw/zinc/60/16/45/942601645.db2.gz NKSKROPJKSUSMR-UXHICEINSA-N 2 0 359.558 3.524 20 0 FHADRP OC1(C[NH2+]C/C=C\c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000414522990 942608000 /nfs/dbraw/zinc/60/80/00/942608000.db2.gz HPBFBMFTRJSJTB-DAXSKMNVSA-N 2 0 372.459 3.595 20 0 FHADRP CCc1csc([C@H]2CCC[N@H+](C[C@@H](C[NH3+])c3ccc(OC)cc3)C2)n1 ZINC000420323065 942608535 /nfs/dbraw/zinc/60/85/35/942608535.db2.gz TVMHGLYSKMLBLT-DLBZAZTESA-N 2 0 359.539 3.636 20 0 FHADRP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420299775 942610360 /nfs/dbraw/zinc/61/03/60/942610360.db2.gz UJPUYOIORRNAGX-UWJYYQICSA-N 2 0 351.494 3.734 20 0 FHADRP FC1(F)CCC[C@H](C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000420307541 942612751 /nfs/dbraw/zinc/61/27/51/942612751.db2.gz IZHOVMYUKRAMEZ-LSDHHAIUSA-N 2 0 355.498 3.913 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000420309078 942615219 /nfs/dbraw/zinc/61/52/19/942615219.db2.gz SXENNSFPFQXPFL-KRWDZBQOSA-N 2 0 374.912 3.686 20 0 FHADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000420317113 942619018 /nfs/dbraw/zinc/61/90/18/942619018.db2.gz NESPUDWVPAQEFJ-CYBMUJFWSA-N 2 0 358.313 3.644 20 0 FHADRP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420319506 942620179 /nfs/dbraw/zinc/62/01/79/942620179.db2.gz AIGLDFZKTPFPDQ-LEWJYISDSA-N 2 0 363.505 3.760 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC12CCOCC2 ZINC000420337918 942623187 /nfs/dbraw/zinc/62/31/87/942623187.db2.gz XKRKWHOWJSAZHO-IBGZPJMESA-N 2 0 352.478 3.666 20 0 FHADRP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338025 942623246 /nfs/dbraw/zinc/62/32/46/942623246.db2.gz NMUSXIWFYHZCLI-YSIASYRMSA-N 2 0 363.505 3.612 20 0 FHADRP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341929 942624834 /nfs/dbraw/zinc/62/48/34/942624834.db2.gz OXHUDPOQCSXPRV-PXNSSMCTSA-N 2 0 357.542 3.909 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000420328216 942630340 /nfs/dbraw/zinc/63/03/40/942630340.db2.gz ZQGHMLSORAMYLT-KNQAVFIVSA-N 2 0 353.510 3.641 20 0 FHADRP C[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000414525306 942630384 /nfs/dbraw/zinc/63/03/84/942630384.db2.gz MCGRGQGDWWRCDU-SFHVURJKSA-N 2 0 356.485 3.546 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000420359425 942637838 /nfs/dbraw/zinc/63/78/38/942637838.db2.gz KLUQDKLZORYUHZ-QGZVFWFLSA-N 2 0 374.912 3.934 20 0 FHADRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647939043 942643679 /nfs/dbraw/zinc/64/36/79/942643679.db2.gz ZOXLGAXLFUIPRV-PXNSSMCTSA-N 2 0 351.494 3.741 20 0 FHADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000420372318 942644376 /nfs/dbraw/zinc/64/43/76/942644376.db2.gz FCGSGJCVJKWLRL-GMAHTHKFSA-N 2 0 368.521 3.827 20 0 FHADRP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1OC ZINC000502688455 942645854 /nfs/dbraw/zinc/64/58/54/942645854.db2.gz ZMTAPIRIATZDNV-KRWDZBQOSA-N 2 0 356.510 3.795 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1-c1ccccc1 ZINC000420378350 942646170 /nfs/dbraw/zinc/64/61/70/942646170.db2.gz QISZCEATGYXVHV-HSZRJFAPSA-N 2 0 363.505 3.758 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000420379581 942646340 /nfs/dbraw/zinc/64/63/40/942646340.db2.gz BFJJAEGRBPBQSP-SJLPKXTDSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000420384357 942648912 /nfs/dbraw/zinc/64/89/12/942648912.db2.gz ROWZOWNOWRJWEE-MSOLQXFVSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000420384029 942648926 /nfs/dbraw/zinc/64/89/26/942648926.db2.gz RCQPNXHNYKFSON-DHIUTWEWSA-N 2 0 352.522 3.991 20 0 FHADRP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CCC[NH3+] ZINC000420393193 942653797 /nfs/dbraw/zinc/65/37/97/942653797.db2.gz BUSRVKWBFBSKAE-JTQLQIEISA-N 2 0 354.317 3.880 20 0 FHADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420375725 942655983 /nfs/dbraw/zinc/65/59/83/942655983.db2.gz JILAVHPKCZVQSZ-XWIAVFTESA-N 2 0 372.431 3.865 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901938 942665183 /nfs/dbraw/zinc/66/51/83/942665183.db2.gz XQSGQFNUNRJVHP-QUCCMNQESA-N 2 0 351.494 3.632 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CCCn2ccnc2)cc1C[NH+]1CCCCC1 ZINC000182186642 942687584 /nfs/dbraw/zinc/68/75/84/942687584.db2.gz AAXAIDREKQLLNU-GOSISDBHSA-N 2 0 356.514 3.619 20 0 FHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000182376631 942726697 /nfs/dbraw/zinc/72/66/97/942726697.db2.gz CGGFZPPAMJULNY-QZTJIDSGSA-N 3 0 359.558 3.672 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000514089131 942740890 /nfs/dbraw/zinc/74/08/90/942740890.db2.gz ORYXMBWSQVIEPK-SQNIBIBYSA-N 2 0 356.432 3.728 20 0 FHADRP CC[NH+](CC)CCCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000514115153 942755375 /nfs/dbraw/zinc/75/53/75/942755375.db2.gz PFWVZFKLQIBFTC-KRWDZBQOSA-N 2 0 360.477 3.787 20 0 FHADRP CC(C)CCn1cccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414549340 942779820 /nfs/dbraw/zinc/77/98/20/942779820.db2.gz LBBRWEZXIPTJTR-UHFFFAOYSA-N 2 0 369.553 3.651 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(CC)[C@H]2CC[NH+](C)C2)c1 ZINC000664428647 942780156 /nfs/dbraw/zinc/78/01/56/942780156.db2.gz NZCNXUQTQNBYQO-NRFANRHFSA-N 2 0 374.573 3.544 20 0 FHADRP FC(F)Oc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414848161 942781735 /nfs/dbraw/zinc/78/17/35/942781735.db2.gz KDSWUXLEGPFLPV-NSHDSACASA-N 2 0 363.246 3.530 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)ccc1OC ZINC000182827682 942793968 /nfs/dbraw/zinc/79/39/68/942793968.db2.gz SNIQJRPZUCDRQZ-HOTGVXAUSA-N 2 0 358.530 3.991 20 0 FHADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)ccc1OC ZINC000183003972 942815114 /nfs/dbraw/zinc/81/51/14/942815114.db2.gz UTLKCOOLKCWYQU-HNAYVOBHSA-N 2 0 362.539 3.983 20 0 FHADRP CCOc1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000513759031 942820726 /nfs/dbraw/zinc/82/07/26/942820726.db2.gz DFRHCSACIAPNFS-UHFFFAOYSA-N 2 0 353.510 3.824 20 0 FHADRP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000514241975 942856088 /nfs/dbraw/zinc/85/60/88/942856088.db2.gz KCMFCZJKFGHCOV-YHSGTQGLSA-N 2 0 350.506 3.836 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(I)cc1 ZINC000421883708 942864434 /nfs/dbraw/zinc/86/44/34/942864434.db2.gz TZFUSNRYLGRQSC-JQRITLKVSA-N 2 0 372.294 3.815 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183422038 942871103 /nfs/dbraw/zinc/87/11/03/942871103.db2.gz BOMITZWEASTXBT-RTBURBONSA-N 2 0 367.578 3.878 20 0 FHADRP COc1cc(CN[C@H](C[NH3+])C2CCCCC2)ccc1OCC(F)(F)F ZINC000414855252 942980390 /nfs/dbraw/zinc/98/03/90/942980390.db2.gz WKZYADFLASYQSZ-OAHLLOKOSA-N 2 0 360.420 3.634 20 0 FHADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000503133129 943001958 /nfs/dbraw/zinc/00/19/58/943001958.db2.gz BFNNDCUQVWMDOV-GOSISDBHSA-N 2 0 374.573 3.680 20 0 FHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnccc2C)CC1 ZINC000271791095 943051388 /nfs/dbraw/zinc/05/13/88/943051388.db2.gz KCTRBYLTSCAIDQ-KRWDZBQOSA-N 2 0 356.489 3.522 20 0 FHADRP CCC[N@H+](C[C@H](OC)C1CCC1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000660073488 943052478 /nfs/dbraw/zinc/05/24/78/943052478.db2.gz GRICOWRIFORTCE-FQEVSTJZSA-N 2 0 360.546 3.589 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000503220808 943064125 /nfs/dbraw/zinc/06/41/25/943064125.db2.gz IXDUYIZCYVZYEK-VQTJNVASSA-N 2 0 365.606 3.761 20 0 FHADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655594 943111245 /nfs/dbraw/zinc/11/12/45/943111245.db2.gz DIBXEDFIUQTNRA-UYAOXDASSA-N 2 0 360.505 3.768 20 0 FHADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414654368 943113147 /nfs/dbraw/zinc/11/31/47/943113147.db2.gz JBQAVMDHADOSOH-GFCCVEGCSA-N 2 0 351.313 3.958 20 0 FHADRP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cc2)c1 ZINC000414654721 943115509 /nfs/dbraw/zinc/11/55/09/943115509.db2.gz GMAOSIVRISXIRA-QVKFZJNVSA-N 2 0 356.466 3.665 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414656481 943117622 /nfs/dbraw/zinc/11/76/22/943117622.db2.gz FVTAZRCOBPBSJB-CRAIPNDOSA-N 2 0 358.457 3.582 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1cccs1 ZINC000414661877 943132987 /nfs/dbraw/zinc/13/29/87/943132987.db2.gz QOUCWSZIEINVNB-NVXWUHKLSA-N 2 0 360.523 3.895 20 0 FHADRP C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272361833 943143463 /nfs/dbraw/zinc/14/34/63/943143463.db2.gz SGLSARDCRAURIW-PZJWPPBQSA-N 2 0 355.570 3.894 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)C1 ZINC000414664868 943155881 /nfs/dbraw/zinc/15/58/81/943155881.db2.gz UJSOCIREMOLDBY-LSDHHAIUSA-N 2 0 360.933 3.992 20 0 FHADRP Cc1noc(C2CCC([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536231 943172847 /nfs/dbraw/zinc/17/28/47/943172847.db2.gz BEOYDFDXIOMZRD-GXVGGZGZSA-N 2 0 368.525 3.904 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272665731 943196787 /nfs/dbraw/zinc/19/67/87/943196787.db2.gz IVPWQFADJDKAFI-ZVDOUQERSA-N 2 0 371.569 3.827 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000272665727 943196988 /nfs/dbraw/zinc/19/69/88/943196988.db2.gz IVPWQFADJDKAFI-ZJOUEHCJSA-N 2 0 371.569 3.827 20 0 FHADRP CCCOc1c(Cl)cc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OCC ZINC000414679072 943222831 /nfs/dbraw/zinc/22/28/31/943222831.db2.gz WNWMASIZSRTFRL-UHFFFAOYSA-N 2 0 354.922 3.959 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703267 943239659 /nfs/dbraw/zinc/23/96/59/943239659.db2.gz HJEDYBVFNSHBSN-ZMYBRWDISA-N 2 0 372.310 3.762 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CC[NH2+]CC1 ZINC000422708971 943241964 /nfs/dbraw/zinc/24/19/64/943241964.db2.gz CNUATFDDCRWWKW-HNAYVOBHSA-N 2 0 362.489 3.578 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC[NH2+]CC1 ZINC000422708535 943242042 /nfs/dbraw/zinc/24/20/42/943242042.db2.gz JBBZBPBVMNHQBE-ZBFHGGJFSA-N 2 0 372.431 3.591 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CC(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000422709186 943242143 /nfs/dbraw/zinc/24/21/43/943242143.db2.gz CZFPJQJIAIJWPU-ZWKOTPCHSA-N 2 0 360.542 3.654 20 0 FHADRP COCCSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422712933 943245079 /nfs/dbraw/zinc/24/50/79/943245079.db2.gz IYQRRXUJALTBEB-LSDHHAIUSA-N 2 0 359.539 3.999 20 0 FHADRP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000422690784 943245888 /nfs/dbraw/zinc/24/58/88/943245888.db2.gz GWRVWJOIEQFWKC-MSOLQXFVSA-N 2 0 355.482 3.880 20 0 FHADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272948959 943249387 /nfs/dbraw/zinc/24/93/87/943249387.db2.gz UKWKPNMNEBHDPV-WIYYLYMNSA-N 2 0 369.553 3.665 20 0 FHADRP COc1ccc([C@H](NC[C@@H](c2cccc(F)c2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422731974 943250143 /nfs/dbraw/zinc/25/01/43/943250143.db2.gz OQSLLHMEWFJAGI-FKBYEOEOSA-N 2 0 371.500 3.520 20 0 FHADRP CC(C)(C)c1csc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422735854 943251619 /nfs/dbraw/zinc/25/16/19/943251619.db2.gz FJVKPBNVSJWUQJ-HRAATJIYSA-N 2 0 371.550 3.829 20 0 FHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422734751 943251640 /nfs/dbraw/zinc/25/16/40/943251640.db2.gz TXNNTEPMGWNATK-KDOFPFPSSA-N 2 0 356.341 3.675 20 0 FHADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1)c1ccco1 ZINC000422718152 943255624 /nfs/dbraw/zinc/25/56/24/943255624.db2.gz PFJQJJPQQWFRFN-HSALFYBXSA-N 2 0 367.493 3.932 20 0 FHADRP COc1ccc([C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422720617 943258134 /nfs/dbraw/zinc/25/81/34/943258134.db2.gz ZUGWEISKDIAOEO-FKBYEOEOSA-N 2 0 371.500 3.520 20 0 FHADRP Fc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422722625 943258799 /nfs/dbraw/zinc/25/87/99/943258799.db2.gz PNHRDASDWDNLRS-BHIFYINESA-N 2 0 359.533 3.691 20 0 FHADRP Fc1ccccc1CSCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422758444 943263349 /nfs/dbraw/zinc/26/33/49/943263349.db2.gz DUTSZYGBUPFKBR-CTNGQTDRSA-N 2 0 372.509 3.904 20 0 FHADRP c1ccc(C(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422737663 943265948 /nfs/dbraw/zinc/26/59/48/943265948.db2.gz XQFXLSCNZJAIDA-RBZQAINGSA-N 2 0 364.533 3.955 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422743965 943268611 /nfs/dbraw/zinc/26/86/11/943268611.db2.gz JHWYMOGVSVGNFB-YDHSSHFGSA-N 2 0 351.538 3.760 20 0 FHADRP CC[C@H]1C[C@H](C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000503576981 943272819 /nfs/dbraw/zinc/27/28/19/943272819.db2.gz SYOPSABAZKMSPS-GGAORHGYSA-N 2 0 373.585 3.692 20 0 FHADRP c1cn(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000422753797 943272930 /nfs/dbraw/zinc/27/29/30/943272930.db2.gz GKLXHNXEQCUGHK-NZQKXSOJSA-N 2 0 361.489 3.877 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422757110 943273555 /nfs/dbraw/zinc/27/35/55/943273555.db2.gz JLWOIEZRJGPKCU-OAHLLOKOSA-N 2 0 373.928 3.901 20 0 FHADRP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000422755471 943273682 /nfs/dbraw/zinc/27/36/82/943273682.db2.gz HYQFOJZAWSAELO-ACESQOTJSA-N 2 0 371.569 3.733 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000422754884 943273764 /nfs/dbraw/zinc/27/37/64/943273764.db2.gz GGTODWGUWMMZIE-OLZOCXBDSA-N 2 0 373.324 3.965 20 0 FHADRP Brc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422767611 943275276 /nfs/dbraw/zinc/27/52/76/943275276.db2.gz TUNGQZDWCTYJSO-PKOBYXMFSA-N 2 0 373.294 3.795 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000422769605 943276757 /nfs/dbraw/zinc/27/67/57/943276757.db2.gz VRQRTRKSRHRLAE-STQMWFEESA-N 2 0 367.415 3.986 20 0 FHADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422776045 943278185 /nfs/dbraw/zinc/27/81/85/943278185.db2.gz BZBIZHJOZSCLME-XJUOHMSHSA-N 2 0 364.489 3.918 20 0 FHADRP C[C@H](OCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422776368 943278983 /nfs/dbraw/zinc/27/89/83/943278983.db2.gz AJRCDSGJCNKALJ-AVCGJXAMSA-N 2 0 366.505 4.000 20 0 FHADRP C[C@H](OCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422776369 943279172 /nfs/dbraw/zinc/27/91/72/943279172.db2.gz AJRCDSGJCNKALJ-HARLFGEKSA-N 2 0 366.505 4.000 20 0 FHADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1COc1ccccc1Cl ZINC000422775706 943279392 /nfs/dbraw/zinc/27/93/92/943279392.db2.gz BIJITLSDLSZPDZ-QKYXUNIQSA-N 2 0 374.912 3.761 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784300 943281790 /nfs/dbraw/zinc/28/17/90/943281790.db2.gz NYRHYXLYQXQBHQ-AMHTUMDSSA-N 2 0 366.505 3.862 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OCc1ccccc1 ZINC000422764109 943284317 /nfs/dbraw/zinc/28/43/17/943284317.db2.gz JVZAWJDQDBYNTN-PXNSSMCTSA-N 2 0 354.494 3.752 20 0 FHADRP FC(F)Oc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422763312 943284852 /nfs/dbraw/zinc/28/48/52/943284852.db2.gz NFGYVQLIQQJXBR-YLJYHZDGSA-N 2 0 360.404 3.634 20 0 FHADRP c1ccc2c(c1)cccc2CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422765031 943284873 /nfs/dbraw/zinc/28/48/73/943284873.db2.gz PYLKVNXOBHBVGN-BHIFYINESA-N 2 0 370.562 3.820 20 0 FHADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765691 943285620 /nfs/dbraw/zinc/28/56/20/943285620.db2.gz RBFOXJDFADBZDD-ISARSNTHSA-N 2 0 369.475 3.805 20 0 FHADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000422797156 943286275 /nfs/dbraw/zinc/28/62/75/943286275.db2.gz LEPZGNRPKQKWLY-YPAWHYETSA-N 2 0 353.510 3.813 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Br)cc1 ZINC000422797829 943287141 /nfs/dbraw/zinc/28/71/41/943287141.db2.gz OQVHCTPFNYLZKU-BVPBIZIASA-N 2 0 367.331 3.727 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422804898 943289321 /nfs/dbraw/zinc/28/93/21/943289321.db2.gz IFRIARXAAUSICA-CQSZACIVSA-N 2 0 373.444 3.672 20 0 FHADRP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000422810683 943291451 /nfs/dbraw/zinc/29/14/51/943291451.db2.gz UOADRVXULAVOBP-NDSDBLNTSA-N 2 0 371.550 3.926 20 0 FHADRP CSc1ccc(F)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422813060 943291650 /nfs/dbraw/zinc/29/16/50/943291650.db2.gz XIGONVSRXNPTBR-FXAWDEMLSA-N 2 0 358.482 3.893 20 0 FHADRP Cc1ccc([C@H]([NH2+][C@H](C)CCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422792971 943294772 /nfs/dbraw/zinc/29/47/72/943294772.db2.gz FILCSPZXZOKILR-UTKZUKDTSA-N 2 0 374.550 3.595 20 0 FHADRP CC(C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417010735 943295762 /nfs/dbraw/zinc/29/57/62/943295762.db2.gz QDVLSWFORPRAKL-LEWJYISDSA-N 2 0 374.573 3.522 20 0 FHADRP Fc1ccc(OCCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422831849 943299029 /nfs/dbraw/zinc/29/90/29/943299029.db2.gz KAGCFTKIEPRKFR-IFMALSPDSA-N 2 0 370.468 3.830 20 0 FHADRP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000422832757 943299540 /nfs/dbraw/zinc/29/95/40/943299540.db2.gz VOFSKAXMJFYJOB-PCCBWWKXSA-N 3 0 361.599 3.861 20 0 FHADRP CCO[C@H](CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000422834126 943299639 /nfs/dbraw/zinc/29/96/39/943299639.db2.gz ZLZHERLDCHEEGQ-VWPQPMDRSA-N 2 0 358.526 3.817 20 0 FHADRP c1ccc(COCCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422839797 943301745 /nfs/dbraw/zinc/30/17/45/943301745.db2.gz RJKYZKCWCFPZPU-JTHBVZDNSA-N 2 0 366.505 3.829 20 0 FHADRP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422847538 943304216 /nfs/dbraw/zinc/30/42/16/943304216.db2.gz RQURBKIPQTVVHD-AYOQOUSVSA-N 2 0 364.480 3.523 20 0 FHADRP CC[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1cccc(F)c1 ZINC000422851951 943305800 /nfs/dbraw/zinc/30/58/00/943305800.db2.gz PVNQMCMEPUILEP-NQSCKRDGSA-N 2 0 370.468 3.829 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422850931 943305900 /nfs/dbraw/zinc/30/59/00/943305900.db2.gz WIPKCGCMAWYPKC-FXAWDEMLSA-N 2 0 355.457 3.685 20 0 FHADRP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422854214 943306484 /nfs/dbraw/zinc/30/64/84/943306484.db2.gz ZWBXPALGGWNVDZ-YTFSRNRJSA-N 2 0 355.570 3.594 20 0 FHADRP Cc1ccc(OCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422857620 943308202 /nfs/dbraw/zinc/30/82/02/943308202.db2.gz HEBHABPRIMHWFI-RBBKRZOGSA-N 2 0 352.478 3.609 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422860918 943308824 /nfs/dbraw/zinc/30/88/24/943308824.db2.gz NEPPFXCDIUAOSO-GBESFXJTSA-N 2 0 360.542 3.882 20 0 FHADRP CCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422868282 943310999 /nfs/dbraw/zinc/31/09/99/943310999.db2.gz UUDVPUNREYKXIS-HNNXBMFYSA-N 2 0 357.498 3.887 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422846158 943312744 /nfs/dbraw/zinc/31/27/44/943312744.db2.gz PHTWULSTPBZRNZ-QHAWAJNXSA-N 2 0 356.489 3.720 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1Br ZINC000422880354 943315143 /nfs/dbraw/zinc/31/51/43/943315143.db2.gz NZKZSYJPOCWJCU-DJIMGWMZSA-N 2 0 367.331 3.858 20 0 FHADRP COc1ccc([C@H](NCCCC[NH+]2CCC(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422882063 943315702 /nfs/dbraw/zinc/31/57/02/943315702.db2.gz OWKVRMRVKGYBKJ-YADHBBJMSA-N 2 0 359.558 3.590 20 0 FHADRP CCC[C@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000422881904 943315740 /nfs/dbraw/zinc/31/57/40/943315740.db2.gz ZOBPMRYBDDCQND-KSSFIOAISA-N 2 0 368.468 3.717 20 0 FHADRP c1ccc(-c2cccc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422886454 943318115 /nfs/dbraw/zinc/31/81/15/943318115.db2.gz JBLBRLONQFJVSD-YTFSRNRJSA-N 2 0 350.506 3.643 20 0 FHADRP COc1ccc([C@H](NCCCC[N@@H+]2CCC[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422888016 943318296 /nfs/dbraw/zinc/31/82/96/943318296.db2.gz ZPSPZVNTICEWKZ-NYVOZVTQSA-N 2 0 359.558 3.590 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(O[C@@H]2CCOC2)c1 ZINC000422871536 943322135 /nfs/dbraw/zinc/32/21/35/943322135.db2.gz DAMPBEVDBJUJPO-MXEMCNAFSA-N 2 0 358.526 3.563 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422875025 943323489 /nfs/dbraw/zinc/32/34/89/943323489.db2.gz BHSPOEBOKSTSQH-YESZJQIVSA-N 2 0 368.468 3.740 20 0 FHADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422901757 943325225 /nfs/dbraw/zinc/32/52/25/943325225.db2.gz CDAKMUOPTXLFQD-OFNKIYASSA-N 2 0 360.505 3.815 20 0 FHADRP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422902189 943325375 /nfs/dbraw/zinc/32/53/75/943325375.db2.gz TZKNXWNCUWYCQF-DNVJHFABSA-N 2 0 355.570 3.860 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000414702363 943325687 /nfs/dbraw/zinc/32/56/87/943325687.db2.gz BBHSNZGCYDGELT-PKOBYXMFSA-N 2 0 370.541 3.524 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422905180 943325961 /nfs/dbraw/zinc/32/59/61/943325961.db2.gz RMXJOUJWYZKYCB-KRWDZBQOSA-N 2 0 358.448 3.861 20 0 FHADRP COc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1OC ZINC000422905677 943326384 /nfs/dbraw/zinc/32/63/84/943326384.db2.gz IPBRDYSSKLAZLA-JKWVGCSGSA-N 2 0 366.505 3.860 20 0 FHADRP COc1ccc([C@@H](Nc2cccc(OCC[NH+](C)C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422906674 943327106 /nfs/dbraw/zinc/32/71/06/943327106.db2.gz ACRVKNXTROGWJO-FGZHOGPDSA-N 2 0 369.509 3.541 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422911198 943328610 /nfs/dbraw/zinc/32/86/10/943328610.db2.gz KHCBYRLWSMJXFO-GJZGRUSLSA-N 2 0 350.457 3.874 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000422894384 943331496 /nfs/dbraw/zinc/33/14/96/943331496.db2.gz TVJJXKCQICGWAR-YLJYHZDGSA-N 2 0 355.457 3.685 20 0 FHADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CCOCC2)cc1 ZINC000422895945 943331577 /nfs/dbraw/zinc/33/15/77/943331577.db2.gz GVYYBOZIBFVKQY-BHIFYINESA-N 2 0 372.553 3.644 20 0 FHADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1Cl ZINC000422921657 943331998 /nfs/dbraw/zinc/33/19/98/943331998.db2.gz ONXZGKWNCAHWAY-FPDPHYFHSA-N 2 0 372.896 3.953 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000422923147 943332145 /nfs/dbraw/zinc/33/21/45/943332145.db2.gz RGRXJBHKQYKXPI-ZIAGYGMSSA-N 2 0 372.431 3.677 20 0 FHADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422922756 943332752 /nfs/dbraw/zinc/33/27/52/943332752.db2.gz UGUOLKZMIRAIDE-NRSPTQNISA-N 2 0 372.896 3.873 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1Oc2ccccc2[C@H]1C ZINC000422922564 943332783 /nfs/dbraw/zinc/33/27/83/943332783.db2.gz UAMFBIRIBKKZQO-DQSSBBSDSA-N 2 0 364.489 3.785 20 0 FHADRP C[C@H]([NH2+][C@H]1CCSc2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000422936281 943337209 /nfs/dbraw/zinc/33/72/09/943337209.db2.gz BFYXJSDGTSLSKT-ZOWXZIJZSA-N 2 0 355.345 3.964 20 0 FHADRP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1Cl ZINC000422936117 943337556 /nfs/dbraw/zinc/33/75/56/943337556.db2.gz IAWBIQKXICHTDS-FXAWDEMLSA-N 2 0 358.869 3.694 20 0 FHADRP Clc1cccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422935750 943337586 /nfs/dbraw/zinc/33/75/86/943337586.db2.gz DNGYXISCDZPICL-QUCCMNQESA-N 2 0 358.869 3.564 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422964193 943342721 /nfs/dbraw/zinc/34/27/21/943342721.db2.gz KPPFVTAIKXARLL-QGZVFWFLSA-N 2 0 363.509 3.626 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NC1CCC([NH3+])CC1)C1CCCCC1 ZINC000414707286 943343359 /nfs/dbraw/zinc/34/33/59/943343359.db2.gz HNVNJWSALBPUBY-UHFFFAOYSA-N 2 0 358.530 3.843 20 0 FHADRP Cc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)c1 ZINC000422966834 943343591 /nfs/dbraw/zinc/34/35/91/943343591.db2.gz NZJCAMKSVVTKCZ-YTFSRNRJSA-N 2 0 350.506 3.909 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC(C)C)c2cccs2)CC[NH2+]CC1 ZINC000422944000 943344739 /nfs/dbraw/zinc/34/47/39/943344739.db2.gz LWMFEPWJNNVZMV-JKSUJKDBSA-N 2 0 352.544 3.746 20 0 FHADRP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422945568 943345569 /nfs/dbraw/zinc/34/55/69/943345569.db2.gz UXSNUVWARJTJIK-PCCBWWKXSA-N 2 0 357.542 3.617 20 0 FHADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422947033 943345695 /nfs/dbraw/zinc/34/56/95/943345695.db2.gz POFDVPGHBBQTTM-LZZSEVOFSA-N 2 0 362.517 3.626 20 0 FHADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422949513 943346158 /nfs/dbraw/zinc/34/61/58/943346158.db2.gz VKJWGKRYBXNZFU-JTAQYXEDSA-N 2 0 364.489 3.918 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000422969984 943353953 /nfs/dbraw/zinc/35/39/53/943353953.db2.gz VOAPKTXRZCYBKC-GOSISDBHSA-N 3 0 366.553 3.931 20 0 FHADRP CCCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OCC ZINC000514893819 943356008 /nfs/dbraw/zinc/35/60/08/943356008.db2.gz KNCPTHHDHSESGX-UHFFFAOYSA-N 2 0 366.571 3.791 20 0 FHADRP c1ccc(COc2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)nc1 ZINC000435376668 943357311 /nfs/dbraw/zinc/35/73/11/943357311.db2.gz STAMSZYIVGNKFC-JOCHJYFZSA-N 2 0 351.494 3.625 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N[C@H](C[NH3+])C(C)(C)C)C1CCCCC1 ZINC000414710520 943359209 /nfs/dbraw/zinc/35/92/09/943359209.db2.gz LDJQKHLNECKTBV-LJQANCHMSA-N 2 0 360.546 3.946 20 0 FHADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999475 943360362 /nfs/dbraw/zinc/36/03/62/943360362.db2.gz FGCVIDRBCZSFSD-NFBKMPQASA-N 2 0 366.505 3.818 20 0 FHADRP Clc1ccccc1OCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003651 943362159 /nfs/dbraw/zinc/36/21/59/943362159.db2.gz MRNPWPZYUXFHCE-YLJYHZDGSA-N 2 0 358.869 3.564 20 0 FHADRP Clc1ccccc1OCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423003650 943362388 /nfs/dbraw/zinc/36/23/88/943362388.db2.gz MRNPWPZYUXFHCE-XLIONFOSSA-N 2 0 358.869 3.564 20 0 FHADRP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008284 943363519 /nfs/dbraw/zinc/36/35/19/943363519.db2.gz ZRLLTYBFUROGNK-AVRDEDQJSA-N 2 0 363.509 3.754 20 0 FHADRP C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000414711763 943365575 /nfs/dbraw/zinc/36/55/75/943365575.db2.gz MXZKTSIIFFTEIV-APWZRJJASA-N 2 0 358.530 3.652 20 0 FHADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCc1cccs1 ZINC000435378123 943366555 /nfs/dbraw/zinc/36/65/55/943366555.db2.gz CCJIJXCSCRHHAG-SZMVWBNQSA-N 2 0 358.507 3.505 20 0 FHADRP CN1CC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423023364 943367740 /nfs/dbraw/zinc/36/77/40/943367740.db2.gz JRDQFDPKTDSUAH-WMRSZRGNSA-N 2 0 353.913 3.579 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423022516 943367877 /nfs/dbraw/zinc/36/78/77/943367877.db2.gz HYJNUSGNQZVXIW-ZFWWWQNUSA-N 2 0 362.880 3.571 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000435380340 943368994 /nfs/dbraw/zinc/36/89/94/943368994.db2.gz NSJODFOTVSYCID-DLBZAZTESA-N 2 0 350.466 3.610 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000435381698 943369561 /nfs/dbraw/zinc/36/95/61/943369561.db2.gz VITGFUUEAUXWGD-LSTHTHJFSA-N 2 0 369.896 3.761 20 0 FHADRP C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022895 943369701 /nfs/dbraw/zinc/36/97/01/943369701.db2.gz IMYLTRKAPRGFRW-BMIPRAEKSA-N 2 0 353.913 3.592 20 0 FHADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c2ccccc21 ZINC000423028598 943370888 /nfs/dbraw/zinc/37/08/88/943370888.db2.gz GWHNBBMXYDNSAV-ZWKOTPCHSA-N 2 0 352.413 3.543 20 0 FHADRP c1ccc(CC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCCC2)cc1 ZINC000423054748 943376425 /nfs/dbraw/zinc/37/64/25/943376425.db2.gz UYCYDXFMFAWTAA-BHIFYINESA-N 2 0 356.554 3.926 20 0 FHADRP COCCC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000423058237 943377405 /nfs/dbraw/zinc/37/74/05/943377405.db2.gz BUNCLOYVQJKOMH-UGKGYDQZSA-N 2 0 358.526 3.819 20 0 FHADRP Fc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423050210 943383270 /nfs/dbraw/zinc/38/32/70/943383270.db2.gz YKEVNAYDGAMGFI-CNNODRBYSA-N 2 0 368.452 3.885 20 0 FHADRP CCc1nc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423102849 943390621 /nfs/dbraw/zinc/39/06/21/943390621.db2.gz ACQOAGHMEMHKCF-IPMKNSEASA-N 2 0 352.526 3.944 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423090468 943391120 /nfs/dbraw/zinc/39/11/20/943391120.db2.gz XRDQLZXJNLJWEW-SEEUUAMPSA-N 2 0 361.496 3.692 20 0 FHADRP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423122569 943397005 /nfs/dbraw/zinc/39/70/05/943397005.db2.gz KAIPUXBCPBOAKT-CBPXPLCBSA-N 2 0 359.558 3.587 20 0 FHADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119849 943397078 /nfs/dbraw/zinc/39/70/78/943397078.db2.gz FPKWMNJHQCLXPE-AAIMPIBUSA-N 2 0 366.505 3.827 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423146920 943407960 /nfs/dbraw/zinc/40/79/60/943407960.db2.gz QOHNUDUDTMBGIC-CYBMUJFWSA-N 2 0 355.873 3.539 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423153495 943410735 /nfs/dbraw/zinc/41/07/35/943410735.db2.gz GTGGXFWURCXKMR-DHCBQETCSA-N 2 0 360.299 3.975 20 0 FHADRP C[C@H]([NH2+]CC1(c2ccccc2Br)CCCCC1)C1C[NH2+]C1 ZINC000423155131 943411648 /nfs/dbraw/zinc/41/16/48/943411648.db2.gz QDTFQVUWOSKRGZ-AWEZNQCLSA-N 2 0 351.332 3.849 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000423156289 943412392 /nfs/dbraw/zinc/41/23/92/943412392.db2.gz KZBTZWAMYWPWSE-LLVKDONJSA-N 2 0 354.281 3.885 20 0 FHADRP COc1ccc([C@@H](C)C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435436948 943416655 /nfs/dbraw/zinc/41/66/55/943416655.db2.gz HOORTFXOGVJAAJ-LPHOPBHVSA-N 2 0 371.550 3.900 20 0 FHADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423158807 943420948 /nfs/dbraw/zinc/42/09/48/943420948.db2.gz DKASLBIQVSYUBN-LVWPNOBMSA-N 2 0 370.468 3.611 20 0 FHADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423164786 943423202 /nfs/dbraw/zinc/42/32/02/943423202.db2.gz AGMXXIMBDTXOKI-AGHHOFFYSA-N 2 0 351.494 3.638 20 0 FHADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423167901 943424655 /nfs/dbraw/zinc/42/46/55/943424655.db2.gz GAFDDWCCKWPHMG-DENIHFKCSA-N 2 0 351.494 3.725 20 0 FHADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423178867 943429267 /nfs/dbraw/zinc/42/92/67/943429267.db2.gz IVKSYSDZACXGAV-RBPBXQJFSA-N 2 0 364.489 3.644 20 0 FHADRP Brc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000423206079 943430774 /nfs/dbraw/zinc/43/07/74/943430774.db2.gz FSPTVABHYKBLJU-RDTXWAMCSA-N 2 0 367.331 3.506 20 0 FHADRP Cc1ccc(-c2nc(CNCCC[NH2+]Cc3cccnc3)cs2)cc1 ZINC000414869618 943441973 /nfs/dbraw/zinc/44/19/73/943441973.db2.gz BNEARVGXURZDGE-UHFFFAOYSA-N 2 0 352.507 3.783 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000423214598 943444921 /nfs/dbraw/zinc/44/49/21/943444921.db2.gz LKAQPHNWNGQQHC-OGWHTMIXSA-N 2 0 364.505 3.812 20 0 FHADRP COCCC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000423218366 943447296 /nfs/dbraw/zinc/44/72/96/943447296.db2.gz RUSQNWHVXBNOOS-JCYILVPMSA-N 2 0 355.320 3.776 20 0 FHADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000503976818 943448423 /nfs/dbraw/zinc/44/84/23/943448423.db2.gz JARJUTOOMJPFMM-WOJBJXKFSA-N 2 0 368.610 3.505 20 0 FHADRP [NH3+]C1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000423223829 943450571 /nfs/dbraw/zinc/45/05/71/943450571.db2.gz AUUGULCXLVRNJH-ABHNRTSZSA-N 2 0 367.331 3.776 20 0 FHADRP COc1ccc(C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423243089 943456884 /nfs/dbraw/zinc/45/68/84/943456884.db2.gz GEECDTHWFACFOZ-XMSQKQJNSA-N 2 0 354.494 3.577 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423246873 943458799 /nfs/dbraw/zinc/45/87/99/943458799.db2.gz KLATZESMBSFEOD-BFQNTYOBSA-N 2 0 355.345 3.821 20 0 FHADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000423250435 943459328 /nfs/dbraw/zinc/45/93/28/943459328.db2.gz VAJOPQYMCZCBHM-YSZBQJHXSA-N 2 0 366.553 3.705 20 0 FHADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000423319645 943474778 /nfs/dbraw/zinc/47/47/78/943474778.db2.gz LUESEFKUDDPHAU-ZDUSSCGKSA-N 2 0 351.210 3.728 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000515063757 943482399 /nfs/dbraw/zinc/48/23/99/943482399.db2.gz ZJJQNGJUMVSYEZ-WOJBJXKFSA-N 2 0 360.505 3.823 20 0 FHADRP CC1(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC[NH2+]CC1 ZINC000423335721 943483419 /nfs/dbraw/zinc/48/34/19/943483419.db2.gz RXDHOKYCTDKIJT-OAHLLOKOSA-N 2 0 353.304 3.642 20 0 FHADRP CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423337876 943484006 /nfs/dbraw/zinc/48/40/06/943484006.db2.gz UHQYUSLPHHZJRY-HXUWFJFHSA-N 2 0 359.558 3.683 20 0 FHADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423350473 943487027 /nfs/dbraw/zinc/48/70/27/943487027.db2.gz XNCMLFFAXJTJKT-YRISNDGFSA-N 2 0 364.505 3.814 20 0 FHADRP CC[NH2+][C@H](C)CN[C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369966 943494422 /nfs/dbraw/zinc/49/44/22/943494422.db2.gz CWWQSZAJUDOTSK-SJORKVTESA-N 2 0 352.482 3.562 20 0 FHADRP C[C@@H]1C[C@H]([NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)CC[NH2+]1 ZINC000423383867 943497760 /nfs/dbraw/zinc/49/77/60/943497760.db2.gz PSSXQRHSVCSOCJ-IQDSPRDJSA-N 2 0 355.345 3.962 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2ccccc2OCc2ccccc2)CC[NH2+]CC1 ZINC000423388763 943498750 /nfs/dbraw/zinc/49/87/50/943498750.db2.gz LASJKFGGJDPQLD-IBGZPJMESA-N 2 0 368.521 3.932 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccc(F)cc2)CC1 ZINC000423402586 943507616 /nfs/dbraw/zinc/50/76/16/943507616.db2.gz RJDPIPRLZLLGKD-QIJUGHKUSA-N 3 0 361.549 3.967 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000423404413 943508040 /nfs/dbraw/zinc/50/80/40/943508040.db2.gz IMMMBNABEVJRIB-OOGWUDDOSA-N 2 0 363.505 3.632 20 0 FHADRP COCC1(C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC[NH2+]CC1 ZINC000423409091 943509820 /nfs/dbraw/zinc/50/98/20/943509820.db2.gz PJFYFGIPSKCAOA-HNNXBMFYSA-N 2 0 359.539 3.785 20 0 FHADRP COCC1(C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000423412109 943510342 /nfs/dbraw/zinc/51/03/42/943510342.db2.gz WDASHNCQDFBCIA-HNNXBMFYSA-N 2 0 358.448 3.632 20 0 FHADRP CN(Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435621678 943518979 /nfs/dbraw/zinc/51/89/79/943518979.db2.gz NVYSAGITEMBMAF-MRXNPFEDSA-N 2 0 364.287 3.678 20 0 FHADRP COc1ccc(OC)c([C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423465316 943523138 /nfs/dbraw/zinc/52/31/38/943523138.db2.gz HQTMKGSCOMOJCU-OXFYSEKESA-N 2 0 372.484 3.887 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423464147 943523210 /nfs/dbraw/zinc/52/32/10/943523210.db2.gz GRPDCWBEKPBRPR-XPKDYRNWSA-N 2 0 353.304 3.770 20 0 FHADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC000515148396 943524068 /nfs/dbraw/zinc/52/40/68/943524068.db2.gz VWCPJVLTDHESQK-ICSRJNTNSA-N 2 0 374.573 3.502 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000423471473 943524895 /nfs/dbraw/zinc/52/48/95/943524895.db2.gz MCXYUSKGBJOSHQ-UWRIJYQHSA-N 2 0 360.517 3.704 20 0 FHADRP CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435627844 943527019 /nfs/dbraw/zinc/52/70/19/943527019.db2.gz OYXNAPKVWZFRAR-ZDUSSCGKSA-N 2 0 358.313 3.786 20 0 FHADRP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423452964 943528810 /nfs/dbraw/zinc/52/88/10/943528810.db2.gz ZTBCZLCUERYHJQ-PCCBWWKXSA-N 2 0 355.913 3.997 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1(c2ccccc2)CCCC1 ZINC000423499889 943529737 /nfs/dbraw/zinc/52/97/37/943529737.db2.gz BOFVFJMQDMQEQJ-JSRJAPPDSA-N 2 0 355.570 3.693 20 0 FHADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423500197 943530483 /nfs/dbraw/zinc/53/04/83/943530483.db2.gz KELFIYJRZBFJBY-QRWLVFNGSA-N 2 0 355.482 3.784 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000423506411 943531828 /nfs/dbraw/zinc/53/18/28/943531828.db2.gz IVFINUFYMSHKCP-NWLLBJEDSA-N 2 0 364.537 3.616 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000423509651 943532850 /nfs/dbraw/zinc/53/28/50/943532850.db2.gz LRRONOVOQUKSHC-TZYSRNFLSA-N 2 0 356.341 3.860 20 0 FHADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423490979 943535785 /nfs/dbraw/zinc/53/57/85/943535785.db2.gz YGWCLCLGYHJGFR-FUHWJXTLSA-N 2 0 364.555 3.586 20 0 FHADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423528435 943538435 /nfs/dbraw/zinc/53/84/35/943538435.db2.gz ODMAFCJXLNWHNH-ADCGCKIBSA-N 2 0 353.554 3.565 20 0 FHADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])C4CC5CC(C4)CC3C5)CC2)C1 ZINC000423533145 943540686 /nfs/dbraw/zinc/54/06/86/943540686.db2.gz WWJOVKVKBGRTPK-CRINZODVSA-N 2 0 359.602 3.773 20 0 FHADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414748804 943542035 /nfs/dbraw/zinc/54/20/35/943542035.db2.gz XEQNJSVKUJJZIN-KGLIPLIRSA-N 2 0 367.896 3.518 20 0 FHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000423513573 943542038 /nfs/dbraw/zinc/54/20/38/943542038.db2.gz VIXWZXHBEDRZDX-AVRDEDQJSA-N 2 0 353.510 3.654 20 0 FHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000423513575 943542211 /nfs/dbraw/zinc/54/22/11/943542211.db2.gz VIXWZXHBEDRZDX-PGRDOPGGSA-N 2 0 353.510 3.654 20 0 FHADRP COc1ccc2oc([C@@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c(C)c2c1 ZINC000423519581 943544196 /nfs/dbraw/zinc/54/41/96/943544196.db2.gz QBYPQMXRTGAGSH-WWDZGPRUSA-N 2 0 371.525 3.617 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[NH2+]C2CC2)CCC3)cc1 ZINC000423520155 943544786 /nfs/dbraw/zinc/54/47/86/943544786.db2.gz DUIYRSCRGIUOAJ-QGZVFWFLSA-N 2 0 357.523 3.928 20 0 FHADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423522672 943545581 /nfs/dbraw/zinc/54/55/81/943545581.db2.gz VETMHMGSLAOXIG-AJSBUHFISA-N 3 0 351.538 3.967 20 0 FHADRP CSC1(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC[NH+](C)CC1 ZINC000515190609 943545688 /nfs/dbraw/zinc/54/56/88/943545688.db2.gz KJHDCAQXDHVZBV-MRXNPFEDSA-N 2 0 357.567 3.751 20 0 FHADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423523005 943545930 /nfs/dbraw/zinc/54/59/30/943545930.db2.gz VETMHMGSLAOXIG-VJBMBRPKSA-N 3 0 351.538 3.967 20 0 FHADRP C[C@H]1CCSCC[NH+]1Cc1cncc(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000584761157 943547596 /nfs/dbraw/zinc/54/75/96/943547596.db2.gz HJUFUDQIOHLHAI-IRXDYDNUSA-N 2 0 365.612 3.736 20 0 FHADRP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423540330 943551800 /nfs/dbraw/zinc/55/18/00/943551800.db2.gz JRRXDUBDBMGFPE-PCUPFXIVSA-N 2 0 353.279 3.553 20 0 FHADRP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540131 943551991 /nfs/dbraw/zinc/55/19/91/943551991.db2.gz PYLFQINBLZHWLW-INIZCTEOSA-N 2 0 351.288 3.562 20 0 FHADRP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000423548767 943554113 /nfs/dbraw/zinc/55/41/13/943554113.db2.gz MUJWDDYICWPMJA-FQOCKNPQSA-N 2 0 350.506 3.957 20 0 FHADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1C ZINC000658358514 943556047 /nfs/dbraw/zinc/55/60/47/943556047.db2.gz VKGGQJFWALDOHO-KRWDZBQOSA-N 2 0 357.542 3.732 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000423572193 943560110 /nfs/dbraw/zinc/56/01/10/943560110.db2.gz ODRKZRGWXNPRRD-QGZVFWFLSA-N 2 0 357.929 3.984 20 0 FHADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000423575909 943560803 /nfs/dbraw/zinc/56/08/03/943560803.db2.gz QPTBUUCXUHWQTA-OAQYLSRUSA-N 2 0 367.537 3.729 20 0 FHADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCOc3ccc(Br)cc32)CC[NH2+]1 ZINC000414753019 943574033 /nfs/dbraw/zinc/57/40/33/943574033.db2.gz CXLVJBGVKPAWTB-DVOMOZLQSA-N 2 0 353.304 3.593 20 0 FHADRP CC(C)c1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000424019936 943689380 /nfs/dbraw/zinc/68/93/80/943689380.db2.gz NMTRZIIUGXIAJT-UHFFFAOYSA-N 2 0 371.550 3.595 20 0 FHADRP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)c2)cc1 ZINC000414771643 943700564 /nfs/dbraw/zinc/70/05/64/943700564.db2.gz ACXVXWCZYYLSBQ-JOCHJYFZSA-N 2 0 350.506 3.849 20 0 FHADRP CC1(C)C[N@H+](Cc2cnccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584825257 943706316 /nfs/dbraw/zinc/70/63/16/943706316.db2.gz WGWJRBUGWSLHRH-OAQYLSRUSA-N 2 0 350.510 3.599 20 0 FHADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414775046 943744436 /nfs/dbraw/zinc/74/44/36/943744436.db2.gz ZDHAXWCRUWWYEM-HDICACEKSA-N 2 0 352.526 3.601 20 0 FHADRP [NH3+][C@H](CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1CCCCC1 ZINC000424178777 943762434 /nfs/dbraw/zinc/76/24/34/943762434.db2.gz WVISLVKNSCUXSR-SBHAEUEKSA-N 2 0 361.574 3.540 20 0 FHADRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000414777387 943784352 /nfs/dbraw/zinc/78/43/52/943784352.db2.gz IGDBOFPNVOTSDB-JKSUJKDBSA-N 2 0 358.917 3.562 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000516907632 943805364 /nfs/dbraw/zinc/80/53/64/943805364.db2.gz VRJQBIKWJKIUSM-IBGZPJMESA-N 2 0 362.558 3.695 20 0 FHADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506050882 943811765 /nfs/dbraw/zinc/81/17/65/943811765.db2.gz FYYKEXPWVVBWLY-MRXNPFEDSA-N 2 0 352.469 3.850 20 0 FHADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373798 943819015 /nfs/dbraw/zinc/81/90/15/943819015.db2.gz VLBNIBDNNGFESP-AZUAARDMSA-N 2 0 371.550 3.837 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1 ZINC000424271748 943828490 /nfs/dbraw/zinc/82/84/90/943828490.db2.gz SHBTVYFOWHSXAO-QJWCVOLQSA-N 2 0 360.542 3.700 20 0 FHADRP COC(=O)CC1CC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000424274756 943831700 /nfs/dbraw/zinc/83/17/00/943831700.db2.gz ZJRYYLAIEPOIFO-AMZMEHNNSA-N 2 0 358.526 3.596 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@H](C[NH2+]C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417698606 943835862 /nfs/dbraw/zinc/83/58/62/943835862.db2.gz GSHMOZCLKLMEKI-RTBURBONSA-N 2 0 374.573 3.537 20 0 FHADRP COc1cccc(-c2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424301919 943851476 /nfs/dbraw/zinc/85/14/76/943851476.db2.gz YIBPAYSPRIJIKQ-HNNXBMFYSA-N 2 0 357.523 3.783 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784199 943866788 /nfs/dbraw/zinc/86/67/88/943866788.db2.gz QWWMIIQAICVBMO-IAGOWNOFSA-N 2 0 358.917 3.656 20 0 FHADRP Cc1ccncc1CCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000516962707 943868541 /nfs/dbraw/zinc/86/85/41/943868541.db2.gz DWENKFTYTTYGJV-PMACEKPBSA-N 2 0 359.558 3.534 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000516970781 943871637 /nfs/dbraw/zinc/87/16/37/943871637.db2.gz BIGBHJXFFSQAMZ-KBPBESRZSA-N 2 0 370.324 3.644 20 0 FHADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414786377 943907905 /nfs/dbraw/zinc/90/79/05/943907905.db2.gz AXFNHSTZBVFCKU-QMTHXVAHSA-N 2 0 365.827 3.649 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000424437167 943913638 /nfs/dbraw/zinc/91/36/38/943913638.db2.gz NUKKQOGOOXXVBW-SFHVURJKSA-N 2 0 358.530 3.574 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000424431711 943925521 /nfs/dbraw/zinc/92/55/21/943925521.db2.gz GJLYKFRNRXVKFS-MSOLQXFVSA-N 2 0 358.530 3.572 20 0 FHADRP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)s2)cc1 ZINC000414789325 943931129 /nfs/dbraw/zinc/93/11/29/943931129.db2.gz OCRLMLXIIDLBGT-SFHVURJKSA-N 2 0 356.535 3.911 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCSc2ccc(F)cc2F)[C@H](C)C1 ZINC000660305042 943932502 /nfs/dbraw/zinc/93/25/02/943932502.db2.gz JQRRMIPWKZYDQZ-CRAIPNDOSA-N 2 0 372.525 3.784 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)C1 ZINC000515517167 943948995 /nfs/dbraw/zinc/94/89/95/943948995.db2.gz LQFKZDGAQLGDPU-WBVHZDCISA-N 2 0 363.552 3.590 20 0 FHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425460659 944005807 /nfs/dbraw/zinc/00/58/07/944005807.db2.gz SLESPOWFRRTAOI-LJQANCHMSA-N 2 0 371.569 3.981 20 0 FHADRP CC[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2ccccc2)C2CCCC2)CC1 ZINC000425462686 944010853 /nfs/dbraw/zinc/01/08/53/944010853.db2.gz WUTZRWRALQRZRZ-SFHVURJKSA-N 2 0 357.542 3.593 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000414809082 944077353 /nfs/dbraw/zinc/07/73/53/944077353.db2.gz TXQJSRUPXFDJJX-GHTZIAJQSA-N 2 0 367.493 3.555 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000500089982 944077504 /nfs/dbraw/zinc/07/75/04/944077504.db2.gz JESPQSMWKXJXEZ-UHFFFAOYSA-N 2 0 357.586 3.890 20 0 FHADRP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898558 944117996 /nfs/dbraw/zinc/11/79/96/944117996.db2.gz ZHQQULOPONCKAU-DENIHFKCSA-N 2 0 369.509 3.930 20 0 FHADRP Cc1cc(Br)cn2c(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cnc12 ZINC000414814437 944118388 /nfs/dbraw/zinc/11/83/88/944118388.db2.gz VOUZZZHZTMFLKU-ZDUSSCGKSA-N 2 0 373.298 3.715 20 0 FHADRP Fc1cccc2[nH]c(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cc21 ZINC000436239120 944126062 /nfs/dbraw/zinc/12/60/62/944126062.db2.gz LGNOASXITKWBCY-SFHVURJKSA-N 2 0 351.469 3.961 20 0 FHADRP Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000418082333 944137787 /nfs/dbraw/zinc/13/77/87/944137787.db2.gz XBKKUAHSLPFVJI-QFIPXVFZSA-N 2 0 366.553 3.851 20 0 FHADRP C[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500122532 944138591 /nfs/dbraw/zinc/13/85/91/944138591.db2.gz IWWPABYGXMICEX-OAHLLOKOSA-N 2 0 358.448 3.852 20 0 FHADRP c1ccc([C@H]2CC[C@H]([NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000436270483 944168629 /nfs/dbraw/zinc/16/86/29/944168629.db2.gz BBTUHIRLOVIYGR-VXKWHMMOSA-N 2 0 364.537 3.520 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cn1 ZINC000436291016 944177766 /nfs/dbraw/zinc/17/77/66/944177766.db2.gz PHTJNJMBULXDLN-QZTJIDSGSA-N 2 0 353.510 3.858 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436293342 944178910 /nfs/dbraw/zinc/17/89/10/944178910.db2.gz MJZYSIOUEZIURE-OIBXWCBGSA-N 2 0 370.585 3.679 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436293357 944179174 /nfs/dbraw/zinc/17/91/74/944179174.db2.gz MJZYSIOUEZIURE-WTIAFYNJSA-N 2 0 370.585 3.679 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(SC)cc2)[C@H](C)C1 ZINC000436302540 944186252 /nfs/dbraw/zinc/18/62/52/944186252.db2.gz AYONEOMBDLSUHB-YLJYHZDGSA-N 2 0 350.572 3.678 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NCc2ccccc2C)c1 ZINC000515758572 944186378 /nfs/dbraw/zinc/18/63/78/944186378.db2.gz BOOJDNDOKCJVPL-IBGZPJMESA-N 2 0 367.537 3.631 20 0 FHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414881839 944216333 /nfs/dbraw/zinc/21/63/33/944216333.db2.gz SUZFJQYSYFBMFY-QWHCGFSZSA-N 2 0 351.288 3.554 20 0 FHADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OCc1ccccc1 ZINC000414973869 944236372 /nfs/dbraw/zinc/23/63/72/944236372.db2.gz NBEJNMAHTLQMGC-NRFANRHFSA-N 2 0 354.494 3.752 20 0 FHADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414978703 944289704 /nfs/dbraw/zinc/28/97/04/944289704.db2.gz UINOARATEZMAOP-CYBMUJFWSA-N 2 0 363.246 3.528 20 0 FHADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000473736579 944312834 /nfs/dbraw/zinc/31/28/34/944312834.db2.gz BEZSNWOCRXWPNS-NQIIRXRSSA-N 2 0 374.573 3.591 20 0 FHADRP Cc1c2cccc(Cl)c2sc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000550156384 944312949 /nfs/dbraw/zinc/31/29/49/944312949.db2.gz WUWZLWYBNZHUGZ-UHFFFAOYSA-N 2 0 365.974 3.979 20 0 FHADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C1CCOCC1 ZINC000187895287 944328969 /nfs/dbraw/zinc/32/89/69/944328969.db2.gz SNDSZJPZXPZXDA-JOCHJYFZSA-N 2 0 360.542 3.594 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]CCCCOc3ccccc3)cc2)CC1 ZINC000438082410 944336890 /nfs/dbraw/zinc/33/68/90/944336890.db2.gz BHLUBIRTYZBKNE-UHFFFAOYSA-N 2 0 368.521 3.592 20 0 FHADRP Clc1ccc(OCc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000414982109 944338621 /nfs/dbraw/zinc/33/86/21/944338621.db2.gz YJEFMNHMCKJFPB-OAHLLOKOSA-N 2 0 365.930 3.997 20 0 FHADRP COc1ccc2ccccc2c1-c1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)on1 ZINC000518393073 944347705 /nfs/dbraw/zinc/34/77/05/944347705.db2.gz JFRKHDDKMDXTSY-GOEBONIOSA-N 2 0 351.450 3.815 20 0 FHADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414982995 944353625 /nfs/dbraw/zinc/35/36/25/944353625.db2.gz ZQPDHHVXDWULEH-FQEVSTJZSA-N 2 0 360.546 3.552 20 0 FHADRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000518413322 944359993 /nfs/dbraw/zinc/35/99/93/944359993.db2.gz XXMMDMQUVNAXON-ZLNRFVROSA-N 3 0 355.570 3.881 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2cccc(Br)n12 ZINC001167753209 944370720 /nfs/dbraw/zinc/37/07/20/944370720.db2.gz MMCCKFKMUGYQPE-ZDUSSCGKSA-N 2 0 351.292 3.773 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCC1CCCCC1 ZINC000517530619 944377680 /nfs/dbraw/zinc/37/76/80/944377680.db2.gz UIFYTQRPRSZJGF-NRFANRHFSA-N 2 0 363.590 3.661 20 0 FHADRP C[C@@]1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000312686327 944417580 /nfs/dbraw/zinc/41/75/80/944417580.db2.gz PWJLKTMOCHZKQG-QHCPKHFHSA-N 2 0 360.505 3.874 20 0 FHADRP C[C@]1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000312686326 944417866 /nfs/dbraw/zinc/41/78/66/944417866.db2.gz PWJLKTMOCHZKQG-HSZRJFAPSA-N 2 0 360.505 3.874 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000426323220 944456897 /nfs/dbraw/zinc/45/68/97/944456897.db2.gz BUPAVVBZTDXJLB-IEBWSBKVSA-N 2 0 371.500 3.696 20 0 FHADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323834 944459516 /nfs/dbraw/zinc/45/95/16/944459516.db2.gz DGVONTGFGQKCKM-WMLDXEAASA-N 2 0 351.332 3.801 20 0 FHADRP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000518629544 944544592 /nfs/dbraw/zinc/54/45/92/944544592.db2.gz KUABYZSKZZQLBE-PEZBUJJGSA-N 2 0 368.468 3.734 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CCCOC(F)F)cc1C[NH+]1CCCCC1 ZINC000194030619 944594938 /nfs/dbraw/zinc/59/49/38/944594938.db2.gz ZMIVTAMSXYJZNS-OAHLLOKOSA-N 2 0 356.457 3.961 20 0 FHADRP CC(C)(C)OC(=O)N(CC[NH2+][C@H](Cn1ccnc1)C(C)(C)C)C(C)(C)C ZINC000311302552 944613380 /nfs/dbraw/zinc/61/33/80/944613380.db2.gz RSJUDVQVQQGWRI-MRXNPFEDSA-N 2 0 366.550 3.923 20 0 FHADRP c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550270472 944649086 /nfs/dbraw/zinc/64/90/86/944649086.db2.gz RNRWPVQUQMQFDM-QFIPXVFZSA-N 2 0 350.506 3.705 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518760100 944726329 /nfs/dbraw/zinc/72/63/29/944726329.db2.gz OUMSMDURGBLYSL-UNMCSNQZSA-N 2 0 371.569 3.527 20 0 FHADRP Fc1ccc(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000506911089 944738114 /nfs/dbraw/zinc/73/81/14/944738114.db2.gz PRGGAXBTAPBBBL-UHFFFAOYSA-N 2 0 358.457 3.630 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000415002275 944788251 /nfs/dbraw/zinc/78/82/51/944788251.db2.gz LVCCUJGLBCREET-VQIMIIECSA-N 2 0 367.493 3.555 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438576227 944794261 /nfs/dbraw/zinc/79/42/61/944794261.db2.gz LYEFSFZLBVGSLL-NRFANRHFSA-N 2 0 357.542 3.550 20 0 FHADRP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516386714 944803978 /nfs/dbraw/zinc/80/39/78/944803978.db2.gz IPTLHXWMKNYXBW-QFIPXVFZSA-N 2 0 371.569 3.527 20 0 FHADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000195173975 944819650 /nfs/dbraw/zinc/81/96/50/944819650.db2.gz KWHCAMWDKANJKO-RXVVDRJESA-N 2 0 365.562 3.584 20 0 FHADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000439678672 944862069 /nfs/dbraw/zinc/86/20/69/944862069.db2.gz CYLZZBBCNGZRNM-OAQYLSRUSA-N 2 0 357.542 3.523 20 0 FHADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000511665303 944894453 /nfs/dbraw/zinc/89/44/53/944894453.db2.gz JCDYWOYCSWMOAO-OAQYLSRUSA-N 2 0 371.569 3.669 20 0 FHADRP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCC1 ZINC000505925385 944899331 /nfs/dbraw/zinc/89/93/31/944899331.db2.gz SEQMEZBPWNHIEF-NJDAHSKKSA-N 2 0 363.590 3.610 20 0 FHADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414943235 944936266 /nfs/dbraw/zinc/93/62/66/944936266.db2.gz NOLACGWSXVNUAW-PGRDOPGGSA-N 2 0 360.505 3.686 20 0 FHADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000426486908 944946068 /nfs/dbraw/zinc/94/60/68/944946068.db2.gz NTOSQEBBUMUJJE-FQEVSTJZSA-N 2 0 363.590 3.613 20 0 FHADRP C[NH+](C)CC1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000426988257 944980685 /nfs/dbraw/zinc/98/06/85/944980685.db2.gz ZGNPJGWRFIGYHU-UHFFFAOYSA-N 2 0 363.590 3.613 20 0 FHADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000518964932 944982551 /nfs/dbraw/zinc/98/25/51/944982551.db2.gz GZQGANRVPJDETB-ACBHZAAOSA-N 2 0 365.521 3.618 20 0 FHADRP CCC1(C)CC[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507178956 945010114 /nfs/dbraw/zinc/01/01/14/945010114.db2.gz GEFKKLOYOQOYKZ-LJQANCHMSA-N 2 0 371.569 3.668 20 0 FHADRP c1ccc(CCCO[C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000518989702 945018544 /nfs/dbraw/zinc/01/85/44/945018544.db2.gz ZRIBHQWWFHWWDT-QHCPKHFHSA-N 2 0 350.506 3.556 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OCc1cccs1 ZINC000415010488 945389730 /nfs/dbraw/zinc/38/97/30/945389730.db2.gz UYFWKZIASPOCHN-RDJZCZTQSA-N 2 0 360.523 3.943 20 0 FHADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2ccccc2s1 ZINC000187781558 945597052 /nfs/dbraw/zinc/59/70/52/945597052.db2.gz LVWMJCSUPRJKNG-INIZCTEOSA-N 2 0 366.534 3.899 20 0 FHADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000651674052 945605886 /nfs/dbraw/zinc/60/58/86/945605886.db2.gz AJXILQWOFPZXDR-AUSIDOKSSA-N 2 0 366.553 3.671 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(F)c(OC)cc2OC)c1 ZINC000651681306 945641123 /nfs/dbraw/zinc/64/11/23/945641123.db2.gz KMDNLUIIRRCJTH-UHFFFAOYSA-N 2 0 360.473 3.975 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000514095306 945663446 /nfs/dbraw/zinc/66/34/46/945663446.db2.gz QPLDGEJZTUVFOJ-RLLPEYFOSA-N 3 0 355.570 3.881 20 0 FHADRP Cc1cc(Br)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000415117250 945683716 /nfs/dbraw/zinc/68/37/16/945683716.db2.gz CBFXVXVMNQRJRR-DZGCQCFKSA-N 2 0 373.360 3.537 20 0 FHADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443992021 945698590 /nfs/dbraw/zinc/69/85/90/945698590.db2.gz YCWDVNRURCIXJM-UHFFFAOYSA-N 2 0 371.500 3.734 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651705293 945727359 /nfs/dbraw/zinc/72/73/59/945727359.db2.gz NZLXYJQEOFUAAL-VQTJNVASSA-N 2 0 366.553 3.673 20 0 FHADRP COC(=O)CC1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168049175 945756992 /nfs/dbraw/zinc/75/69/92/945756992.db2.gz YYFFBNIPFRFJQW-ROUUACIJSA-N 2 0 358.526 3.703 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000110913333 945782958 /nfs/dbraw/zinc/78/29/58/945782958.db2.gz JYCFKHIYDVMJPE-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000550123201 945974311 /nfs/dbraw/zinc/97/43/11/945974311.db2.gz SBBIOZAHLRBERH-CQSZACIVSA-N 2 0 365.974 3.836 20 0 FHADRP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000651809725 945997384 /nfs/dbraw/zinc/99/73/84/945997384.db2.gz FRSDVPMRFMQXSL-HXUWFJFHSA-N 2 0 352.526 3.653 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000520044836 946071076 /nfs/dbraw/zinc/07/10/76/946071076.db2.gz ZLASNJXNRVWQRA-FDYSRKEFSA-N 2 0 351.579 3.514 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662825199 946075040 /nfs/dbraw/zinc/07/50/40/946075040.db2.gz FJCBFQKSRBRKSG-PGRDOPGGSA-N 2 0 369.553 3.724 20 0 FHADRP Cc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000302012360 946078222 /nfs/dbraw/zinc/07/82/22/946078222.db2.gz DBCNSBLOSOCYAO-UHFFFAOYSA-N 2 0 353.510 3.872 20 0 FHADRP Cc1cccc(C)c1OCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441038468 946129046 /nfs/dbraw/zinc/12/90/46/946129046.db2.gz IQSJPLONQZLUDY-UHFFFAOYSA-N 2 0 373.585 3.563 20 0 FHADRP CC(C)c1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000520213203 946278224 /nfs/dbraw/zinc/27/82/24/946278224.db2.gz JSWPWTIZGDIIPA-UHFFFAOYSA-N 2 0 352.526 3.507 20 0 FHADRP C[C@@H]1CC(N2CC[C@H]([NH+]3CCCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054830 946278378 /nfs/dbraw/zinc/27/83/78/946278378.db2.gz UIQLNLHILPFKQN-SJBKTWHCSA-N 2 0 355.570 3.988 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccc(C(C)(C)C)cc1 ZINC000441252904 946348379 /nfs/dbraw/zinc/34/83/79/946348379.db2.gz KHVKOWIGHKQKFS-BAGYTPMASA-N 2 0 374.569 3.937 20 0 FHADRP CC[NH+]1CCC(CC[NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652155233 946402380 /nfs/dbraw/zinc/40/23/80/946402380.db2.gz ZTMOFGFNVSKJGX-JOCHJYFZSA-N 2 0 353.510 3.891 20 0 FHADRP CCC[NH+](CCC)CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475122088 946440873 /nfs/dbraw/zinc/44/08/73/946440873.db2.gz TYBHBLCQEFSLHQ-UHFFFAOYSA-N 2 0 366.594 3.595 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1(C)C ZINC000441337611 946443987 /nfs/dbraw/zinc/44/39/87/946443987.db2.gz RAGHJSPZCIIPFP-UHFFFAOYSA-N 2 0 361.530 3.670 20 0 FHADRP C[C@H](OC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000441363688 946509702 /nfs/dbraw/zinc/50/97/02/946509702.db2.gz KBPDXUVWWCEBHP-FFZOFVMBSA-N 2 0 368.949 3.585 20 0 FHADRP CC[N@H+](CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000652237591 946516788 /nfs/dbraw/zinc/51/67/88/946516788.db2.gz UPIGDBUZTUSFOJ-NFBKMPQASA-N 2 0 372.601 3.926 20 0 FHADRP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000655708048 946520118 /nfs/dbraw/zinc/52/01/18/946520118.db2.gz IJCJHDHCIFANQO-DHIUTWEWSA-N 2 0 363.549 3.869 20 0 FHADRP C[C@@H]1CC([NH+]2CCC(n3cccn3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168057991 946594641 /nfs/dbraw/zinc/59/46/41/946594641.db2.gz ABWHGEIQSKBMHZ-RTBURBONSA-N 2 0 352.526 3.962 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CCC(n3cccn3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168057988 946594759 /nfs/dbraw/zinc/59/47/59/946594759.db2.gz ABWHGEIQSKBMHZ-HATOLVCRSA-N 2 0 352.526 3.962 20 0 FHADRP CCn1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000164510056 946596996 /nfs/dbraw/zinc/59/69/96/946596996.db2.gz CXCAVWOGXFOXPK-KRWDZBQOSA-N 2 0 352.482 3.979 20 0 FHADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000520428369 946616677 /nfs/dbraw/zinc/61/66/77/946616677.db2.gz RWMRMBOMMJQOOL-MRXNPFEDSA-N 2 0 350.466 3.861 20 0 FHADRP Cc1cccc(C)c1OCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000112731259 946734032 /nfs/dbraw/zinc/73/40/32/946734032.db2.gz LOXIFZNDZAGUGX-VXKWHMMOSA-N 2 0 373.585 3.563 20 0 FHADRP Clc1ccc2ncc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000475280315 946800585 /nfs/dbraw/zinc/80/05/85/946800585.db2.gz PUFWVILDMZQNFB-QGZVFWFLSA-N 2 0 354.885 3.599 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1)C(C)C ZINC000112918736 946816491 /nfs/dbraw/zinc/81/64/91/946816491.db2.gz PSKFKPVZAJSTRI-UHFFFAOYSA-N 2 0 371.569 3.865 20 0 FHADRP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000550380491 946883831 /nfs/dbraw/zinc/88/38/31/946883831.db2.gz YVQHPXJAFDENIN-UYAOXDASSA-N 2 0 351.579 3.656 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCOc3ccc4ccccc4c3)C2)C1 ZINC000652348642 946886742 /nfs/dbraw/zinc/88/67/42/946886742.db2.gz LRBCQKUDLMBHTN-XPNTWCBSSA-N 2 0 368.521 3.827 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc(C4CCCCC4)n3)C2)C1 ZINC000652348723 946887945 /nfs/dbraw/zinc/88/79/45/946887945.db2.gz OURZYOLRTFVGCG-SCTDSRPQSA-N 2 0 363.571 3.909 20 0 FHADRP c1ccc2c(c1)N(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC21CC[NH2+]CC1 ZINC001167995086 946891698 /nfs/dbraw/zinc/89/16/98/946891698.db2.gz VMHKLCDKSDCUCU-YOFSQIOKSA-N 2 0 351.538 3.533 20 0 FHADRP Cn1nccc1-c1ccccc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000511904418 946908622 /nfs/dbraw/zinc/90/86/22/946908622.db2.gz BZIQRRVKOAZVKQ-UHFFFAOYSA-N 2 0 352.457 3.578 20 0 FHADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652364063 946932035 /nfs/dbraw/zinc/93/20/35/946932035.db2.gz WIILFSKEZCRRDM-JQHSSLGASA-N 2 0 361.511 3.572 20 0 FHADRP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(C2)CC(F)(F)CO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062126 946950841 /nfs/dbraw/zinc/95/08/41/946950841.db2.gz JCINGIRNVRELJD-HNJRGHQBSA-N 2 0 364.480 3.928 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@@H+](C)CC[C@H]3CCCC[NH+]3C)n2)cc1F ZINC000475363590 946955654 /nfs/dbraw/zinc/95/56/54/946955654.db2.gz WNFDWPHCILRSIS-GOSISDBHSA-N 2 0 374.504 3.923 20 0 FHADRP c1ccc(C[NH+]2CC[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]32)cc1 ZINC001167995717 946981738 /nfs/dbraw/zinc/98/17/38/946981738.db2.gz OVIQROCRLWDLGX-HPAZHGAPSA-N 2 0 365.565 3.598 20 0 FHADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](C(=O)OCC)c3ccccc32)CC1 ZINC000520433055 946984201 /nfs/dbraw/zinc/98/42/01/946984201.db2.gz CUFVSHNQRQMSQY-SFTDATJTSA-N 2 0 358.526 3.880 20 0 FHADRP C[C@@H]1CC([NH+]2CCC(N3CC(F)C3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063963 947045111 /nfs/dbraw/zinc/04/51/11/947045111.db2.gz OSDDSOWHJVAZLA-QZTJIDSGSA-N 2 0 359.533 3.546 20 0 FHADRP COC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065466 947113935 /nfs/dbraw/zinc/11/39/35/947113935.db2.gz WOXWWGIFOVNMRP-BAYUQKDNSA-N 2 0 358.526 3.703 20 0 FHADRP COC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065425 947128220 /nfs/dbraw/zinc/12/82/20/947128220.db2.gz VROWRKWIJLJBQG-YHELAOLJSA-N 2 0 358.526 3.703 20 0 FHADRP c1cc(C2CC[NH+](CCCCC[NH+]3CCC(c4ccon4)CC3)CC2)no1 ZINC000662048171 947141472 /nfs/dbraw/zinc/14/14/72/947141472.db2.gz QCULCAXXUDOTTF-UHFFFAOYSA-N 2 0 372.513 3.892 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000536301684 947196809 /nfs/dbraw/zinc/19/68/09/947196809.db2.gz FWFADDCWKDTIER-KSSFIOAISA-N 2 0 357.325 3.807 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2cc1OCC ZINC000301262313 947257328 /nfs/dbraw/zinc/25/73/28/947257328.db2.gz VLIIPZDOVDWVAZ-MRXNPFEDSA-N 2 0 355.482 3.707 20 0 FHADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000247072897 947260896 /nfs/dbraw/zinc/26/08/96/947260896.db2.gz QHNLTEFHUFVQJA-QLFBSQMISA-N 2 0 374.447 3.967 20 0 FHADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000729583976 947277983 /nfs/dbraw/zinc/27/79/83/947277983.db2.gz JFJCMGLQDNSPSN-UHFFFAOYSA-N 2 0 374.573 3.544 20 0 FHADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000523829243 947646540 /nfs/dbraw/zinc/64/65/40/947646540.db2.gz WPTTXKHNVCHSSZ-NRFANRHFSA-N 2 0 357.542 3.667 20 0 FHADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251641 947674213 /nfs/dbraw/zinc/67/42/13/947674213.db2.gz HBEKNYPFGFYTSC-CXAGYDPISA-N 2 0 354.416 3.752 20 0 FHADRP CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)C(=O)Nc1ccccc1 ZINC000662257903 947676489 /nfs/dbraw/zinc/67/64/89/947676489.db2.gz RGCKTYNECKHRJC-KRWDZBQOSA-N 2 0 351.494 3.572 20 0 FHADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662264587 947684329 /nfs/dbraw/zinc/68/43/29/947684329.db2.gz RIJUZZLELLXYAY-WBVHZDCISA-N 2 0 357.523 3.632 20 0 FHADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274749 947698062 /nfs/dbraw/zinc/69/80/62/947698062.db2.gz WROCSANSXBNTON-QZTJIDSGSA-N 2 0 355.482 3.562 20 0 FHADRP Fc1ccc2c(c1)onc2C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662279374 947701212 /nfs/dbraw/zinc/70/12/12/947701212.db2.gz SVAKEBNFWYIBEF-UHFFFAOYSA-N 2 0 365.452 3.992 20 0 FHADRP Fc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)co2)cc1F ZINC000662291369 947714737 /nfs/dbraw/zinc/71/47/37/947714737.db2.gz FXWCDKRKRGGUKX-INIZCTEOSA-N 2 0 361.436 3.831 20 0 FHADRP COc1ccc(-c2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662293745 947716143 /nfs/dbraw/zinc/71/61/43/947716143.db2.gz MZSLRIUQYVRSRA-GOSISDBHSA-N 2 0 355.482 3.562 20 0 FHADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294080 947716387 /nfs/dbraw/zinc/71/63/87/947716387.db2.gz OWGMXOVWCGXXFH-MAUKXSAKSA-N 2 0 370.497 3.518 20 0 FHADRP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297541 947718909 /nfs/dbraw/zinc/71/89/09/947718909.db2.gz RFPDRGALQXDTSU-HIFRSBDPSA-N 2 0 367.896 3.518 20 0 FHADRP CCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000662315891 947744366 /nfs/dbraw/zinc/74/43/66/947744366.db2.gz VADOMPHENLVPFD-FUHIMQAGSA-N 2 0 363.521 3.575 20 0 FHADRP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321762 947749016 /nfs/dbraw/zinc/74/90/16/947749016.db2.gz DAWPYLODMHIMJM-HXUWFJFHSA-N 2 0 372.557 3.558 20 0 FHADRP CN(C(=O)CC[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360432 947849956 /nfs/dbraw/zinc/84/99/56/947849956.db2.gz WNFTXPDZRXBIMX-UWJYYQICSA-N 2 0 371.550 3.774 20 0 FHADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467344 948055817 /nfs/dbraw/zinc/05/58/17/948055817.db2.gz DYMNARWPHQKAQB-OXQOHEQNSA-N 2 0 357.498 3.942 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663466974 948056833 /nfs/dbraw/zinc/05/68/33/948056833.db2.gz CIHBXWQEJZZYMD-PKOBYXMFSA-N 2 0 372.557 3.989 20 0 FHADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469275 948059524 /nfs/dbraw/zinc/05/95/24/948059524.db2.gz PMCAOHIRVSFWFP-DOTOQJQBSA-N 2 0 363.933 3.769 20 0 FHADRP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168001345 948063639 /nfs/dbraw/zinc/06/36/39/948063639.db2.gz ASAUQVQKDFXVIM-IZCSPVGOSA-N 2 0 374.569 3.837 20 0 FHADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469866 948064608 /nfs/dbraw/zinc/06/46/08/948064608.db2.gz RGKCXVAMOGKZIR-XLIONFOSSA-N 2 0 352.526 3.953 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)N(c1ccccc1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001167821181 948075735 /nfs/dbraw/zinc/07/57/35/948075735.db2.gz CGZZURFPUUFBMQ-ILWGZMRPSA-N 2 0 359.558 3.525 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001167824190 948108322 /nfs/dbraw/zinc/10/83/22/948108322.db2.gz GEGRDESKJCSTHV-TZIWHRDSSA-N 2 0 371.569 3.635 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001167825178 948119121 /nfs/dbraw/zinc/11/91/21/948119121.db2.gz GTNKMHHISJORSA-KRWDZBQOSA-N 2 0 355.567 3.828 20 0 FHADRP CCOC[C@@H]1COCCC12CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825389 948121318 /nfs/dbraw/zinc/12/13/18/948121318.db2.gz JZLSROPKMFJKJP-WOJBJXKFSA-N 2 0 354.579 3.652 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000663505287 948121848 /nfs/dbraw/zinc/12/18/48/948121848.db2.gz GVGLOIPORLETPT-ROUUACIJSA-N 2 0 351.579 3.562 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001167825702 948126767 /nfs/dbraw/zinc/12/67/67/948126767.db2.gz SQGXETPEDCIUSD-OYNPSCLESA-N 2 0 352.563 3.545 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001167827522 948151296 /nfs/dbraw/zinc/15/12/96/948151296.db2.gz XERXXRJULFOCIC-QGZVFWFLSA-N 2 0 360.571 3.929 20 0 FHADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000549623531 948219971 /nfs/dbraw/zinc/21/99/71/948219971.db2.gz BJWGHVGUISYIRE-RTWAWAEBSA-N 2 0 356.510 3.632 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833698 948232045 /nfs/dbraw/zinc/23/20/45/948232045.db2.gz DKSZSKFDQABXPD-MSOLQXFVSA-N 2 0 355.567 3.828 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001167833712 948232089 /nfs/dbraw/zinc/23/20/89/948232089.db2.gz DIOOFQVKEHVFDK-YLJYHZDGSA-N 2 0 363.521 3.530 20 0 FHADRP c1ccc(CN2C[C@H]3[C@@H](CC[NH+]3C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168002778 948274173 /nfs/dbraw/zinc/27/41/73/948274173.db2.gz XXHMXAQUOJOFHU-JLJUSEHJSA-N 2 0 365.565 3.598 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834922 948275236 /nfs/dbraw/zinc/27/52/36/948275236.db2.gz NWGNWJHBGRIDRQ-PXNSSMCTSA-N 2 0 355.567 3.734 20 0 FHADRP CCn1c2ccccc2nc1N1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167835283 948288522 /nfs/dbraw/zinc/28/85/22/948288522.db2.gz QUBXLMHOTQFZNG-LJQANCHMSA-N 2 0 371.573 3.689 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCCN(C(=O)OC(C)(C)C)CCC1 ZINC001167840690 948344601 /nfs/dbraw/zinc/34/46/01/948344601.db2.gz HPWMKTXTRUCJGC-GOSISDBHSA-N 2 0 355.567 3.830 20 0 FHADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000432414214 948367501 /nfs/dbraw/zinc/36/75/01/948367501.db2.gz JWBSKYANUOGHCC-CRAIPNDOSA-N 2 0 369.347 3.991 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC001167841938 948370556 /nfs/dbraw/zinc/37/05/56/948370556.db2.gz VDEXIXOJIPCXNG-KRWDZBQOSA-N 2 0 353.501 3.593 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)cc1 ZINC000520664891 948543612 /nfs/dbraw/zinc/54/36/12/948543612.db2.gz CUSSVUZQGWOKOS-UHFFFAOYSA-N 2 0 368.399 3.641 20 0 FHADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000188584620 567972252 /nfs/dbraw/zinc/97/22/52/567972252.db2.gz JODIPQLDIHULCH-LJQANCHMSA-N 2 0 374.573 3.544 20 0 FHADRP CSC1(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC[NH+](C)CC1 ZINC000602667613 568014143 /nfs/dbraw/zinc/01/41/43/568014143.db2.gz QTFZORFPQHEUCS-TZIWHRDSSA-N 2 0 373.610 3.772 20 0 FHADRP CC(C)c1noc(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000563119970 568224769 /nfs/dbraw/zinc/22/47/69/568224769.db2.gz ODALRIHTDMDQAW-IBGZPJMESA-N 2 0 368.525 3.912 20 0 FHADRP Cc1[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc2[nH]ccc21 ZINC001164955630 722020399 /nfs/dbraw/zinc/02/03/99/722020399.db2.gz LBWXHWBUNAOLOP-UHFFFAOYSA-N 2 0 361.493 3.759 20 0 FHADRP C[NH+](C)Cc1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995205 722210981 /nfs/dbraw/zinc/21/09/81/722210981.db2.gz HBTHSWUYRNCVCR-QFIPXVFZSA-N 2 0 368.500 3.527 20 0 FHADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC000125997486 936316632 /nfs/dbraw/zinc/31/66/32/936316632.db2.gz GDIRKGDXICYEGY-MRXNPFEDSA-N 2 0 369.484 3.898 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(CC(F)F)c2)C[N@@H+]1Cc1ccccc1 ZINC000511769826 945065350 /nfs/dbraw/zinc/06/53/50/945065350.db2.gz IDDIOQDDMVLMSE-AEFFLSMTSA-N 2 0 362.468 3.539 20 0 FHADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[NH+]1CCCCCC1 ZINC000511772239 945068952 /nfs/dbraw/zinc/06/89/52/945068952.db2.gz UJZOIQUFTMNKBF-FPOVZHCZSA-N 2 0 371.569 3.668 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000123013068 937111807 /nfs/dbraw/zinc/11/18/07/937111807.db2.gz IEECLZBCJNXFGE-UHFFFAOYSA-N 2 0 353.510 3.515 20 0 FHADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000274634956 927294691 /nfs/dbraw/zinc/29/46/91/927294691.db2.gz CWMZXSCCEOPOEY-INIZCTEOSA-N 2 0 363.571 3.649 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cncc(C)c2)cc1OC ZINC000274638430 927297338 /nfs/dbraw/zinc/29/73/38/927297338.db2.gz SUMPIXGQDHBNQA-GOSISDBHSA-N 2 0 371.525 3.970 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000118773599 927430782 /nfs/dbraw/zinc/43/07/82/927430782.db2.gz SRMWQIXFZPTZGD-KRWDZBQOSA-N 2 0 371.525 3.736 20 0 FHADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000119206915 928079462 /nfs/dbraw/zinc/07/94/62/928079462.db2.gz ZWDOJWNSZKNCLL-GHTZIAJQSA-N 2 0 359.558 3.542 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000154538117 937232954 /nfs/dbraw/zinc/23/29/54/937232954.db2.gz IWEBLULFSOAWAO-OAQYLSRUSA-N 2 0 371.569 3.830 20 0 FHADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000583230553 937260240 /nfs/dbraw/zinc/26/02/40/937260240.db2.gz AHJWYPAGLJMDHT-UHFFFAOYSA-N 2 0 361.530 3.624 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154457244 928843407 /nfs/dbraw/zinc/84/34/07/928843407.db2.gz WHJQVQFZJXGXEZ-KRWDZBQOSA-N 2 0 369.500 3.665 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447274 928905145 /nfs/dbraw/zinc/90/51/45/928905145.db2.gz BENXUQJRKZGRLW-MJGOQNOKSA-N 2 0 353.510 3.973 20 0 FHADRP CN(c1ccccc1C[N@@H+]1CCC[C@H]1c1cccn1C)C1CC[NH+](C)CC1 ZINC000179707505 928936143 /nfs/dbraw/zinc/93/61/43/928936143.db2.gz FOQMWZRABRIJBE-QHCPKHFHSA-N 2 0 366.553 3.893 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000037105913 928996563 /nfs/dbraw/zinc/99/65/63/928996563.db2.gz DEOCDFNZISDNBQ-JZIBPQBNSA-N 2 0 353.304 3.734 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180130864 929386123 /nfs/dbraw/zinc/38/61/23/929386123.db2.gz FOERNXIGPXJDOR-UTKZUKDTSA-N 2 0 358.505 3.893 20 0 FHADRP Cc1ccc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180438983 929510625 /nfs/dbraw/zinc/51/06/25/929510625.db2.gz GQYVAGYZXXFCMW-NZQKXSOJSA-N 2 0 351.538 3.558 20 0 FHADRP Cc1ccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)cc1 ZINC000180515906 929536407 /nfs/dbraw/zinc/53/64/07/929536407.db2.gz LNAKJGDOIJVALJ-DHIUTWEWSA-N 2 0 352.522 3.911 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180515773 929536566 /nfs/dbraw/zinc/53/65/66/929536566.db2.gz JLCSZGMNMIYMPW-NRFANRHFSA-N 2 0 374.475 3.881 20 0 FHADRP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000017313562 929589652 /nfs/dbraw/zinc/58/96/52/929589652.db2.gz DVOPZIXPWPUVDW-UHFFFAOYSA-N 2 0 361.493 3.508 20 0 FHADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000137727505 929679616 /nfs/dbraw/zinc/67/96/16/929679616.db2.gz LPBWNRSPXKHSNK-HXUWFJFHSA-N 2 0 359.558 3.994 20 0 FHADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000683689692 929802967 /nfs/dbraw/zinc/80/29/67/929802967.db2.gz INPKCKFYFDHLST-QFIPXVFZSA-N 2 0 369.528 3.725 20 0 FHADRP COc1ccc(Br)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001279431796 929999128 /nfs/dbraw/zinc/99/91/28/929999128.db2.gz JSKBXWRRRUVPIY-UHFFFAOYSA-N 2 0 367.331 3.766 20 0 FHADRP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2cncn2C)c2ccc(F)cc2)CC1 ZINC000291251762 930019777 /nfs/dbraw/zinc/01/97/77/930019777.db2.gz PKTLPTGRFFNWTP-OAQYLSRUSA-N 2 0 358.505 3.902 20 0 FHADRP CC(C)c1oc([C@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000583383960 937391814 /nfs/dbraw/zinc/39/18/14/937391814.db2.gz ABEZHADNCHLLNT-LJQANCHMSA-N 2 0 368.525 3.507 20 0 FHADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000656188336 930556342 /nfs/dbraw/zinc/55/63/42/930556342.db2.gz CPPGEAWNQAECNA-HXUWFJFHSA-N 2 0 362.477 3.788 20 0 FHADRP C[C@@H]([NH2+]CCOc1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000564825596 930683044 /nfs/dbraw/zinc/68/30/44/930683044.db2.gz VNMYCOBIDBSTMS-CZUORRHYSA-N 2 0 363.299 3.569 20 0 FHADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939719 930690127 /nfs/dbraw/zinc/69/01/27/930690127.db2.gz HZIYDXNZFSCZTB-TXCZRRACSA-N 2 0 367.990 3.652 20 0 FHADRP c1ccc(CC2CC[NH+](CCCN3CC[C@H]([NH+]4CCCCC4)C3)CC2)cc1 ZINC001167429924 931001668 /nfs/dbraw/zinc/00/16/68/931001668.db2.gz OQXYUSMISJNCOM-DEOSSOPVSA-N 2 0 369.597 3.891 20 0 FHADRP CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167430049 931006818 /nfs/dbraw/zinc/00/68/18/931006818.db2.gz QURXKWKCQVYTAP-LJQANCHMSA-N 2 0 367.578 3.879 20 0 FHADRP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)C[NH+](C)C ZINC000623849181 931010426 /nfs/dbraw/zinc/01/04/26/931010426.db2.gz YDWMMFTVRNXKKH-LLVKDONJSA-N 2 0 351.844 3.862 20 0 FHADRP COc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)[NH+]2CCCCC2)cc1 ZINC000580768065 931129984 /nfs/dbraw/zinc/12/99/84/931129984.db2.gz LKRRPLCWTILADQ-VABKMULXSA-N 2 0 365.521 3.957 20 0 FHADRP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090715180 931576694 /nfs/dbraw/zinc/57/66/94/931576694.db2.gz JTBPSXWGDPEAOH-INIZCTEOSA-N 2 0 353.551 3.534 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560407 931846594 /nfs/dbraw/zinc/84/65/94/931846594.db2.gz WATUCEBMGVBNLB-VDGAXYAQSA-N 2 0 362.477 3.885 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)cc1 ZINC000558401392 931848765 /nfs/dbraw/zinc/84/87/65/931848765.db2.gz LHNVDWJPQSVKFH-UHFFFAOYSA-N 2 0 374.475 3.984 20 0 FHADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000581362699 931897956 /nfs/dbraw/zinc/89/79/56/931897956.db2.gz BRCSEOMRTWUDOU-BXWFABGCSA-N 2 0 354.922 3.507 20 0 FHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000430570255 931903444 /nfs/dbraw/zinc/90/34/44/931903444.db2.gz MYEGYDHALCCERB-GHTZIAJQSA-N 2 0 373.566 3.649 20 0 FHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000430570258 931903466 /nfs/dbraw/zinc/90/34/66/931903466.db2.gz MYEGYDHALCCERB-RXVVDRJESA-N 2 0 373.566 3.649 20 0 FHADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430587218 931972338 /nfs/dbraw/zinc/97/23/38/931972338.db2.gz VKTOTVJBQGQVDJ-FQEVSTJZSA-N 2 0 353.510 3.987 20 0 FHADRP CCOc1ccc(C[C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000656640762 932234167 /nfs/dbraw/zinc/23/41/67/932234167.db2.gz DHZSAIXXZUKBIS-SFHVURJKSA-N 2 0 353.510 3.918 20 0 FHADRP CN(c1ccccc1C[NH+]1CC(CC(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000656686438 932328810 /nfs/dbraw/zinc/32/88/10/932328810.db2.gz LXMZZAOROLLLKX-UHFFFAOYSA-N 2 0 355.448 3.601 20 0 FHADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCCC2CCCCC2)CC1 ZINC000581634662 932359236 /nfs/dbraw/zinc/35/92/36/932359236.db2.gz YGZTUWDSSJUGEP-UHFFFAOYSA-N 2 0 351.579 3.563 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(SC)cc1OC ZINC000656784407 932419200 /nfs/dbraw/zinc/41/92/00/932419200.db2.gz DBLUVYQKXIXQHQ-INIZCTEOSA-N 2 0 364.555 3.637 20 0 FHADRP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784594 932419240 /nfs/dbraw/zinc/41/92/40/932419240.db2.gz FWHMEOIEGZTOHK-OAHLLOKOSA-N 2 0 354.441 3.508 20 0 FHADRP Clc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786778 932425882 /nfs/dbraw/zinc/42/58/82/932425882.db2.gz QLLFVGIREIBUAA-KRWDZBQOSA-N 2 0 358.917 3.942 20 0 FHADRP FC1(F)CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000647172213 932467427 /nfs/dbraw/zinc/46/74/27/932467427.db2.gz MVOHQXCHYNWDHK-UHFFFAOYSA-N 2 0 365.512 3.752 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000156188149 932675288 /nfs/dbraw/zinc/67/52/88/932675288.db2.gz WNKAFLVPESEBHN-QGZVFWFLSA-N 2 0 365.512 3.880 20 0 FHADRP Cc1nc2ccccc2nc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564402924 932960748 /nfs/dbraw/zinc/96/07/48/932960748.db2.gz IXWQRGUYTUHXAT-SFTDATJTSA-N 2 0 372.516 3.892 20 0 FHADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1)C1CCOCC1 ZINC000510650523 933354656 /nfs/dbraw/zinc/35/46/56/933354656.db2.gz KBQJCSJLIYINBK-PKTZIBPZSA-N 2 0 372.553 3.845 20 0 FHADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000510684652 933421726 /nfs/dbraw/zinc/42/17/26/933421726.db2.gz JBKOEHZWCZXTER-LPHOPBHVSA-N 2 0 372.475 3.709 20 0 FHADRP CCc1ccc(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000430939340 933437989 /nfs/dbraw/zinc/43/79/89/933437989.db2.gz KYWWVTHRVJNEFB-UHFFFAOYSA-N 2 0 371.613 3.920 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430946148 933460792 /nfs/dbraw/zinc/46/07/92/933460792.db2.gz ZNRFJQKKZKRDQJ-HXUWFJFHSA-N 2 0 362.477 3.757 20 0 FHADRP CC1(c2nc(C3([NH3+])CCCCC3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000562969464 933541005 /nfs/dbraw/zinc/54/10/05/933541005.db2.gz KCZFJUCTHYFVGD-UHFFFAOYSA-N 2 0 354.498 3.741 20 0 FHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000684556634 933881319 /nfs/dbraw/zinc/88/13/19/933881319.db2.gz BSJOJFAQEZFXGZ-PSBKLILYSA-N 2 0 364.537 3.688 20 0 FHADRP C[NH+](C)CCCOc1ccc(CNc2cc[nH+]c3c(O)cccc23)cc1 ZINC000684573137 934099461 /nfs/dbraw/zinc/09/94/61/934099461.db2.gz RIOKKBZTAAYQOX-UHFFFAOYSA-N 2 0 351.450 3.883 20 0 FHADRP CC(C)(C)c1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000093735129 934168339 /nfs/dbraw/zinc/16/83/39/934168339.db2.gz FHXJMIGYYMRWTN-UHFFFAOYSA-N 2 0 351.560 3.517 20 0 FHADRP Cc1cccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccc(F)c2)c1 ZINC000510953486 934218849 /nfs/dbraw/zinc/21/88/49/934218849.db2.gz VKRSVJUATVEECC-JOCHJYFZSA-N 2 0 369.528 3.839 20 0 FHADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000458207689 934378297 /nfs/dbraw/zinc/37/82/97/934378297.db2.gz WBYFGPXIJMEYDV-UHFFFAOYSA-N 2 0 371.550 3.548 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cnc(-c2ccsc2)s1 ZINC000535808839 934416725 /nfs/dbraw/zinc/41/67/25/934416725.db2.gz ZFLYQJIFAVJHSB-OIISXLGYSA-N 2 0 363.552 3.555 20 0 FHADRP C[NH+](C)CCOc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)ccn1 ZINC000181034265 934523657 /nfs/dbraw/zinc/52/36/57/934523657.db2.gz HUGAEMLTPBATIT-UHFFFAOYSA-N 2 0 361.489 3.901 20 0 FHADRP Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1C[NH+](C)C ZINC000458293182 934587084 /nfs/dbraw/zinc/58/70/84/934587084.db2.gz URPJTKSLPGDTRF-UHFFFAOYSA-N 2 0 365.521 3.907 20 0 FHADRP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000277162807 934636176 /nfs/dbraw/zinc/63/61/76/934636176.db2.gz RGBWRWMFRRLROJ-NRFANRHFSA-N 2 0 372.557 3.663 20 0 FHADRP CCCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236745132 934769993 /nfs/dbraw/zinc/76/99/93/934769993.db2.gz VQQRYMONIDTYSQ-JOCHJYFZSA-N 2 0 365.521 3.662 20 0 FHADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000090590741 934879528 /nfs/dbraw/zinc/87/95/28/934879528.db2.gz MAZRFBUVRHIZKX-LSDHHAIUSA-N 2 0 351.332 3.943 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236876707 934919261 /nfs/dbraw/zinc/91/92/61/934919261.db2.gz PMBJZXUKJWMOAZ-DYESRHJHSA-N 2 0 369.509 3.682 20 0 FHADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000472089759 934993124 /nfs/dbraw/zinc/99/31/24/934993124.db2.gz HWEZFZVAEUQIII-LJQANCHMSA-N 2 0 374.573 3.633 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657298472 935009876 /nfs/dbraw/zinc/00/98/76/935009876.db2.gz VJGXQYTWBKQRAM-QHCPKHFHSA-N 2 0 368.521 3.986 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000431325501 935052530 /nfs/dbraw/zinc/05/25/30/935052530.db2.gz HMMIPXFCTUNKBD-FCHUYYIVSA-N 2 0 373.585 3.885 20 0 FHADRP COc1ccsc1[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000472128072 935101403 /nfs/dbraw/zinc/10/14/03/935101403.db2.gz LWGQNILKFWCFOC-MJGOQNOKSA-N 2 0 373.566 3.786 20 0 FHADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000431331165 935104089 /nfs/dbraw/zinc/10/40/89/935104089.db2.gz ZMTNAUMCQRNJHU-QFIPXVFZSA-N 2 0 373.585 3.887 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000657312017 935104096 /nfs/dbraw/zinc/10/40/96/935104096.db2.gz BWASEMXYGTVJNJ-UHFFFAOYSA-N 2 0 354.336 3.754 20 0 FHADRP Cc1c(Br)cncc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000657311647 935105470 /nfs/dbraw/zinc/10/54/70/935105470.db2.gz QINVETXOEATNII-AWEZNQCLSA-N 2 0 354.336 3.754 20 0 FHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccnn1CC1CC1 ZINC000657311570 935119387 /nfs/dbraw/zinc/11/93/87/935119387.db2.gz NSVLYBLYMWGDJT-SFHVURJKSA-N 2 0 352.526 3.957 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000657314944 935139069 /nfs/dbraw/zinc/13/90/69/935139069.db2.gz IDEQADXRYFVAPJ-UHFFFAOYSA-N 2 0 354.420 3.571 20 0 FHADRP Cc1c(F)cccc1-c1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)o1 ZINC000472146845 935197491 /nfs/dbraw/zinc/19/74/91/935197491.db2.gz CLKOARHAWDSIMS-UHFFFAOYSA-N 2 0 373.516 3.900 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1NC(C)=O ZINC000157885354 935218432 /nfs/dbraw/zinc/21/84/32/935218432.db2.gz VAKZJOWENBATMI-IRXDYDNUSA-N 2 0 361.530 3.959 20 0 FHADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566230156 935233117 /nfs/dbraw/zinc/23/31/17/935233117.db2.gz MCQNYSNEJRUDPM-GFCCVEGCSA-N 2 0 351.263 3.768 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000657332448 935248866 /nfs/dbraw/zinc/24/88/66/935248866.db2.gz IGCZWEGCGPVORI-UHFFFAOYSA-N 2 0 354.420 3.569 20 0 FHADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000582298109 935503939 /nfs/dbraw/zinc/50/39/39/935503939.db2.gz CIOLHBWZYKMEEL-JOCHJYFZSA-N 2 0 365.521 3.543 20 0 FHADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657390903 935519467 /nfs/dbraw/zinc/51/94/67/935519467.db2.gz KHJACDZTJYFDSW-UHFFFAOYSA-N 2 0 372.326 3.831 20 0 FHADRP COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc(Cl)c1OC ZINC000647248634 935553768 /nfs/dbraw/zinc/55/37/68/935553768.db2.gz NGOMTIVMOMGBSS-MSOLQXFVSA-N 2 0 374.912 3.792 20 0 FHADRP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000657398914 935561732 /nfs/dbraw/zinc/56/17/32/935561732.db2.gz FMSZIQKFMDTZOM-YADHBBJMSA-N 2 0 360.542 3.641 20 0 FHADRP CCC1(C[NH2+]Cc2cn(C3CCC3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000657417432 935645576 /nfs/dbraw/zinc/64/55/76/935645576.db2.gz YCPIIOBTMZIUCS-UHFFFAOYSA-N 2 0 367.541 3.785 20 0 FHADRP O=C(NCCCCC[NH+]1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000111039649 935667869 /nfs/dbraw/zinc/66/78/69/935667869.db2.gz MHURFDYXCLXNAY-UHFFFAOYSA-N 2 0 357.542 3.668 20 0 FHADRP Fc1ccc(C2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000657424444 935679152 /nfs/dbraw/zinc/67/91/52/935679152.db2.gz WGAJVAMVFRAKDY-UHFFFAOYSA-N 2 0 356.832 3.881 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430244 935702155 /nfs/dbraw/zinc/70/21/55/935702155.db2.gz PCIQZDQZHCRENP-LRXVAGHRSA-N 2 0 358.526 3.597 20 0 FHADRP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000582443123 935714877 /nfs/dbraw/zinc/71/48/77/935714877.db2.gz ZXDDCWGQDZSJPX-LFIBNONCSA-N 2 0 370.459 3.934 20 0 FHADRP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(CC2CC2)n1 ZINC000657433251 935723457 /nfs/dbraw/zinc/72/34/57/935723457.db2.gz YWTTYFOCGOTFCO-ACIOBRDBSA-N 2 0 364.537 3.683 20 0 FHADRP CCc1cccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)oc21 ZINC000657433438 935725824 /nfs/dbraw/zinc/72/58/24/935725824.db2.gz XCCJPSQXHDFGTK-OAQYLSRUSA-N 2 0 364.489 3.852 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1)C1CC1 ZINC000511149766 935801757 /nfs/dbraw/zinc/80/17/57/935801757.db2.gz DQICNYIXNJKGCV-JOCHJYFZSA-N 2 0 365.521 3.704 20 0 FHADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc21 ZINC000439957789 945125721 /nfs/dbraw/zinc/12/57/21/945125721.db2.gz FHDROMYCBACRCM-FQEVSTJZSA-N 2 0 368.525 3.548 20 0 FHADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000511164819 935838375 /nfs/dbraw/zinc/83/83/75/935838375.db2.gz KYSVNLCOGIVQGH-UHFFFAOYSA-N 2 0 350.572 3.979 20 0 FHADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000048745034 935845566 /nfs/dbraw/zinc/84/55/66/935845566.db2.gz IINUQRRMDCOQSH-GOSISDBHSA-N 2 0 364.493 3.872 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1C ZINC001167586401 935849257 /nfs/dbraw/zinc/84/92/57/935849257.db2.gz MINCXZMSQLQKRO-QSOKESPWSA-N 2 0 370.459 3.973 20 0 FHADRP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000582591762 935855867 /nfs/dbraw/zinc/85/58/67/935855867.db2.gz LBOJNTDDNVQFKZ-GJZGRUSLSA-N 2 0 371.447 3.744 20 0 FHADRP CC(C)[C@H](O)C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000582620911 935881925 /nfs/dbraw/zinc/88/19/25/935881925.db2.gz WAYVFJJJFMRZKB-NHCUHLMSSA-N 2 0 350.522 3.985 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954838 935897676 /nfs/dbraw/zinc/89/76/76/935897676.db2.gz GETMUTNVCCNZLC-QFIPXVFZSA-N 2 0 365.521 3.969 20 0 FHADRP COc1cccc(F)c1CNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001167609561 936057429 /nfs/dbraw/zinc/05/74/29/936057429.db2.gz YWLJXQKJDPMJJR-UHFFFAOYSA-N 2 0 357.473 3.617 20 0 FHADRP CO[C@@](C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COCc1ccccc1 ZINC000657593077 936068438 /nfs/dbraw/zinc/06/84/38/936068438.db2.gz YKYPYBZNMUKUPK-QHCPKHFHSA-N 2 0 374.569 3.995 20 0 FHADRP Fc1ccc2oc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)cc2c1 ZINC000657613631 936099058 /nfs/dbraw/zinc/09/90/58/936099058.db2.gz OOGPDPQQNQJYCE-UHFFFAOYSA-N 2 0 353.441 3.969 20 0 FHADRP Cc1ccc2cc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)ccc2n1 ZINC000657613852 936100282 /nfs/dbraw/zinc/10/02/82/936100282.db2.gz UGFXGYWBVBEIIR-UHFFFAOYSA-N 2 0 360.505 3.940 20 0 FHADRP Fc1c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cccc1OC1CC1 ZINC000657613742 936101397 /nfs/dbraw/zinc/10/13/97/936101397.db2.gz QKCWQRQUFFXOSS-UHFFFAOYSA-N 2 0 369.484 3.764 20 0 FHADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237684939 936206732 /nfs/dbraw/zinc/20/67/32/936206732.db2.gz DYURJJQKQZEXBX-KDURUIRLSA-N 2 0 371.569 3.561 20 0 FHADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000472271517 936267563 /nfs/dbraw/zinc/26/75/63/936267563.db2.gz BWCKUHMUPNVYHD-YJBOKZPZSA-N 2 0 356.457 3.782 20 0 FHADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000150982922 938251653 /nfs/dbraw/zinc/25/16/53/938251653.db2.gz WOORGMSSCNQLSL-HXUWFJFHSA-N 2 0 365.565 3.823 20 0 FHADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000583462788 938264056 /nfs/dbraw/zinc/26/40/56/938264056.db2.gz XYPCEFKTXHFNGJ-UHFFFAOYSA-N 2 0 369.557 3.910 20 0 FHADRP CNC(=O)CC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCCCC1 ZINC000657762723 938271276 /nfs/dbraw/zinc/27/12/76/938271276.db2.gz MPHNYXOESWVJHN-PZJWPPBQSA-N 2 0 371.569 3.716 20 0 FHADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000635007139 938280166 /nfs/dbraw/zinc/28/01/66/938280166.db2.gz FBWXUECGPPVKTD-VBNZEHGJSA-N 2 0 362.823 3.606 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)C1 ZINC000650705948 938286878 /nfs/dbraw/zinc/28/68/78/938286878.db2.gz AVAUKSGFCKNGSA-PBFPGSCMSA-N 2 0 374.859 3.660 20 0 FHADRP COc1cc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650707850 938287474 /nfs/dbraw/zinc/28/74/74/938287474.db2.gz OEHWSBWNNURDAN-DXCKQFNASA-N 2 0 373.324 3.720 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000728571387 938306781 /nfs/dbraw/zinc/30/67/81/938306781.db2.gz WTRFHLLWDQZILO-UHFFFAOYSA-N 2 0 367.578 3.687 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718074 938307207 /nfs/dbraw/zinc/30/72/07/938307207.db2.gz XARCFXHJWNYMRV-CYBMUJFWSA-N 2 0 363.864 3.753 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000650719445 938307953 /nfs/dbraw/zinc/30/79/53/938307953.db2.gz QIKJQNQDDMPVAE-HNNXBMFYSA-N 2 0 359.901 3.875 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(Cl)ccc3cccnc32)C1 ZINC000650722885 938310068 /nfs/dbraw/zinc/31/00/68/938310068.db2.gz DBAUOHCGGWOVBH-ATZDWAIDSA-N 2 0 359.901 3.749 20 0 FHADRP COc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2c1 ZINC000650721754 938310427 /nfs/dbraw/zinc/31/04/27/938310427.db2.gz AIIVTDKQQKEXIJ-CEMLEFRQSA-N 2 0 354.494 3.709 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(-c3ccccc3)s2)C1 ZINC000650723625 938310784 /nfs/dbraw/zinc/31/07/84/938310784.db2.gz RBDINDKVTUQHIZ-KURKYZTESA-N 2 0 357.523 3.671 20 0 FHADRP CC(C)[NH+]1CCN([C@@H]2CCN(CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000583605692 938319184 /nfs/dbraw/zinc/31/91/84/938319184.db2.gz NZMJTKFTJNTZDE-MRXNPFEDSA-N 2 0 370.368 3.636 20 0 FHADRP [NH3+]CC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000583693229 938360375 /nfs/dbraw/zinc/36/03/75/938360375.db2.gz GEFDWMVSBVIFJL-UHFFFAOYSA-N 2 0 366.534 3.831 20 0 FHADRP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745393 938371392 /nfs/dbraw/zinc/37/13/92/938371392.db2.gz FRZHXGOMOINAQH-ABAIWWIYSA-N 2 0 355.345 3.951 20 0 FHADRP [NH3+]CC1(CC[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000650747445 938380325 /nfs/dbraw/zinc/38/03/25/938380325.db2.gz ABWUTGFRDDUHMC-MRXNPFEDSA-N 2 0 367.262 3.989 20 0 FHADRP [NH3+]Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(F)c1 ZINC000650755893 938411772 /nfs/dbraw/zinc/41/17/72/938411772.db2.gz PBOHERNGINIBQU-WWNPGLIZSA-N 2 0 367.512 3.817 20 0 FHADRP C[NH2+]Cc1ccccc1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000650756243 938412887 /nfs/dbraw/zinc/41/28/87/938412887.db2.gz XHUNTUNAVSZGLU-IBGZPJMESA-N 2 0 351.538 3.591 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(F)(F)F ZINC000583828236 938433952 /nfs/dbraw/zinc/43/39/52/938433952.db2.gz RPRIJSPHAPURAL-BZUAXINKSA-N 2 0 372.431 3.599 20 0 FHADRP CC[C@H](C(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000130929534 938443546 /nfs/dbraw/zinc/44/35/46/938443546.db2.gz GLYMPVMUOLKVCL-QFIPXVFZSA-N 2 0 371.569 3.634 20 0 FHADRP Cc1ccc(OCCC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000060368506 945177273 /nfs/dbraw/zinc/17/72/73/945177273.db2.gz SQHARHRLQWFQPC-NHCUHLMSSA-N 2 0 374.569 3.894 20 0 FHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583895284 938471081 /nfs/dbraw/zinc/47/10/81/938471081.db2.gz FWSJVXXQVLGOQI-XLIONFOSSA-N 2 0 354.469 3.933 20 0 FHADRP Cc1ccc(OCCC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000060368507 945178118 /nfs/dbraw/zinc/17/81/18/945178118.db2.gz SQHARHRLQWFQPC-SFTDATJTSA-N 2 0 374.569 3.894 20 0 FHADRP COc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1C ZINC000657804176 938473392 /nfs/dbraw/zinc/47/33/92/938473392.db2.gz GOOCYFLEQROHSZ-UHFFFAOYSA-N 2 0 373.928 3.699 20 0 FHADRP Clc1ccc(-n2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000657812132 938514943 /nfs/dbraw/zinc/51/49/43/938514943.db2.gz MOXBQMGOBXDSIX-UHFFFAOYSA-N 2 0 358.917 3.737 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC(F)F ZINC000657811787 938516335 /nfs/dbraw/zinc/51/63/35/938516335.db2.gz GAAIZRMAVIJVAQ-UHFFFAOYSA-N 2 0 354.441 3.508 20 0 FHADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278544344 938521847 /nfs/dbraw/zinc/52/18/47/938521847.db2.gz XYVMHLVXZZRZGI-UHFFFAOYSA-N 2 0 371.506 3.503 20 0 FHADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278554585 938530067 /nfs/dbraw/zinc/53/00/67/938530067.db2.gz WCYPLRDRHCMVAD-QGZVFWFLSA-N 2 0 357.542 3.991 20 0 FHADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000657815242 938534014 /nfs/dbraw/zinc/53/40/14/938534014.db2.gz NOHQBCKICKJCLR-WMZHIEFXSA-N 3 0 355.570 3.751 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000584021034 938550495 /nfs/dbraw/zinc/55/04/95/938550495.db2.gz CSVGOEOVRCFMMC-JOCHJYFZSA-N 2 0 364.537 3.951 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000584021035 938550620 /nfs/dbraw/zinc/55/06/20/938550620.db2.gz CSVGOEOVRCFMMC-QFIPXVFZSA-N 2 0 364.537 3.951 20 0 FHADRP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000657833548 938627611 /nfs/dbraw/zinc/62/76/11/938627611.db2.gz AQLGNUVULCIYDP-RTWAWAEBSA-N 2 0 359.602 3.994 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000657834767 938632491 /nfs/dbraw/zinc/63/24/91/938632491.db2.gz BJGKGHFQXSUTSF-XXBNENTESA-N 2 0 374.569 3.840 20 0 FHADRP COc1cc2ccc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2cc1OC ZINC000657834012 938635448 /nfs/dbraw/zinc/63/54/48/938635448.db2.gz IDEAODIIRRYNEZ-JKSUJKDBSA-N 2 0 354.494 3.992 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000518197688 945194228 /nfs/dbraw/zinc/19/42/28/945194228.db2.gz NAJNGYLNFORYLL-QHAWAJNXSA-N 2 0 372.553 3.845 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000657837167 938669668 /nfs/dbraw/zinc/66/96/68/938669668.db2.gz QXZVYBMTZHIBHC-XXBNENTESA-N 2 0 374.569 3.982 20 0 FHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C3CCC3)cc2)cc1 ZINC000584279971 938671376 /nfs/dbraw/zinc/67/13/76/938671376.db2.gz GGLVWDKYYPLHEG-UHFFFAOYSA-N 2 0 365.521 3.535 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000506747789 945194746 /nfs/dbraw/zinc/19/47/46/945194746.db2.gz OZROPZCAIDVLLK-QGZVFWFLSA-N 2 0 355.448 3.603 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151791435 938676783 /nfs/dbraw/zinc/67/67/83/938676783.db2.gz KRPDWWALRZFNGD-MRXNPFEDSA-N 2 0 373.566 3.782 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cc2)CC1 ZINC000657839278 938691313 /nfs/dbraw/zinc/69/13/13/938691313.db2.gz QWQQLOHJLXUXKP-INIZCTEOSA-N 2 0 353.501 3.594 20 0 FHADRP OCC[NH+]1CCC(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000151850820 938720223 /nfs/dbraw/zinc/72/02/23/938720223.db2.gz HOANNEWCKUWIEU-HSZRJFAPSA-N 2 0 352.522 3.654 20 0 FHADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C(F)(F)F)c1 ZINC000151866261 938798158 /nfs/dbraw/zinc/79/81/58/938798158.db2.gz XUWLYHAXNANUJW-GOSISDBHSA-N 2 0 358.448 3.841 20 0 FHADRP COCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000089215046 938854139 /nfs/dbraw/zinc/85/41/39/938854139.db2.gz VUWSLFZQOMZITD-NRFANRHFSA-N 2 0 357.473 3.805 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090586506 938880315 /nfs/dbraw/zinc/88/03/15/938880315.db2.gz PTZKCCDICXUPPM-JOCHJYFZSA-N 2 0 357.586 3.651 20 0 FHADRP CCc1ccc([C@@H](CO)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000090844182 938883513 /nfs/dbraw/zinc/88/35/13/938883513.db2.gz BTYAYRZYQMZZQK-HTAPYJJXSA-N 2 0 356.510 3.574 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091285060 938899105 /nfs/dbraw/zinc/89/91/05/938899105.db2.gz VIMPVFFJNLUPJT-IBGZPJMESA-N 2 0 369.475 3.774 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3cccnc3)C(C)C)cc2)CC1 ZINC000091287221 938899456 /nfs/dbraw/zinc/89/94/56/938899456.db2.gz XVUOHEFMULHHNV-HSZRJFAPSA-N 2 0 366.553 3.706 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C(C)C)cn2)CC1 ZINC000091286991 938899647 /nfs/dbraw/zinc/89/96/47/938899647.db2.gz IUTWSEOQMPYQGC-JOCHJYFZSA-N 2 0 352.526 3.710 20 0 FHADRP CC(C)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091334818 938900147 /nfs/dbraw/zinc/90/01/47/938900147.db2.gz PPGYICMSDIBILR-MAUKXSAKSA-N 2 0 357.464 3.628 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCc2ncc(C)s2)CC1 ZINC000093807229 938930189 /nfs/dbraw/zinc/93/01/89/938930189.db2.gz FYAMNHYGVUNIOQ-UHFFFAOYSA-N 2 0 372.582 3.658 20 0 FHADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000093770089 938930196 /nfs/dbraw/zinc/93/01/96/938930196.db2.gz SZOOCVAMGGRWPU-INIZCTEOSA-N 2 0 366.431 3.665 20 0 FHADRP CN1CCC[C@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768690 938965887 /nfs/dbraw/zinc/96/58/87/938965887.db2.gz OAPXTXLUWXINOR-NVXWUHKLSA-N 2 0 356.432 3.714 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OCc1cccs1 ZINC000414967220 945218955 /nfs/dbraw/zinc/21/89/55/945218955.db2.gz HDNGVCPDGUXYJN-LJQANCHMSA-N 2 0 360.523 3.813 20 0 FHADRP C[NH+]1CCC2(CC1)CC[NH+](CCc1ccc(Br)cc1)CC2 ZINC001207384653 938967241 /nfs/dbraw/zinc/96/72/41/938967241.db2.gz PBCGRRVDIQKLFC-UHFFFAOYSA-N 2 0 351.332 3.799 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3OC3CC3)CC2)C[C@H](C)O1 ZINC000685417574 938985040 /nfs/dbraw/zinc/98/50/40/938985040.db2.gz VLJQXQZDYDDVBS-ROUUACIJSA-N 2 0 358.526 3.549 20 0 FHADRP CC(C)C[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457385 938987860 /nfs/dbraw/zinc/98/78/60/938987860.db2.gz BKNPVHWFPSVHTN-GGAORHGYSA-N 2 0 357.586 3.917 20 0 FHADRP CC(C)C[C@@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000685457388 938987868 /nfs/dbraw/zinc/98/78/68/938987868.db2.gz BKNPVHWFPSVHTN-JTHBVZDNSA-N 2 0 357.586 3.917 20 0 FHADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685471301 938989545 /nfs/dbraw/zinc/98/95/45/938989545.db2.gz BIGMABAEWCCVGT-OAQYLSRUSA-N 2 0 368.525 3.838 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563114 938991585 /nfs/dbraw/zinc/99/15/85/938991585.db2.gz USDXXKGDBJWUTG-QKNQBKEWSA-N 2 0 365.521 3.761 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000685646044 939008079 /nfs/dbraw/zinc/00/80/79/939008079.db2.gz XFNLTRVSIOBDPG-QGZVFWFLSA-N 2 0 354.494 3.964 20 0 FHADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000431618178 939008246 /nfs/dbraw/zinc/00/82/46/939008246.db2.gz CFZZNWMAOVUFQQ-JOCHJYFZSA-N 2 0 369.553 3.518 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc2ccncc2s1 ZINC000657969268 939013504 /nfs/dbraw/zinc/01/35/04/939013504.db2.gz LLYCMQHACQPPRH-KXBFYZLASA-N 2 0 367.518 3.714 20 0 FHADRP COc1cccc2cc([C@@H](C)[NH2+]CC3CC[NH+](C4CCOCC4)CC3)oc21 ZINC000658066541 939021493 /nfs/dbraw/zinc/02/14/93/939021493.db2.gz BOWBCTHGFOTXDZ-MRXNPFEDSA-N 2 0 372.509 3.983 20 0 FHADRP COC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000658071854 939021871 /nfs/dbraw/zinc/02/18/71/939021871.db2.gz ZTDXOBBNNITVMI-HXUWFJFHSA-N 2 0 366.933 3.508 20 0 FHADRP Clc1ncccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984850 939025901 /nfs/dbraw/zinc/02/59/01/939025901.db2.gz QJJWGAXXAYPVIE-UHFFFAOYSA-N 2 0 373.928 3.896 20 0 FHADRP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C2CC2)cc1 ZINC000658134491 939030106 /nfs/dbraw/zinc/03/01/06/939030106.db2.gz AZYMLQARKQYJTG-PKTZIBPZSA-N 2 0 350.506 3.803 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135377 939030148 /nfs/dbraw/zinc/03/01/48/939030148.db2.gz DIKFASYRFPUZDZ-KXBFYZLASA-N 2 0 356.535 3.654 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2c(s1)CCC2 ZINC000658135371 939030319 /nfs/dbraw/zinc/03/03/19/939030319.db2.gz DIKFASYRFPUZDZ-DNVCBOLYSA-N 2 0 356.535 3.654 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(Cl)c1 ZINC000658141278 939035665 /nfs/dbraw/zinc/03/56/65/939035665.db2.gz SKTBIFSBCSDIKZ-RDTXWAMCSA-N 2 0 362.876 3.897 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4Cl)cc2)C1 ZINC000658142255 939036221 /nfs/dbraw/zinc/03/62/21/939036221.db2.gz VGEYXMIBRUAXHA-UWJYYQICSA-N 2 0 356.897 3.684 20 0 FHADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143457 939036659 /nfs/dbraw/zinc/03/66/59/939036659.db2.gz YJUWEDRRAVZIAR-GHTZIAJQSA-N 2 0 360.448 3.772 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nccc2ccccc21 ZINC000658138110 939042186 /nfs/dbraw/zinc/04/21/86/939042186.db2.gz MSJDGFUHFVZMCJ-UTKZUKDTSA-N 2 0 361.489 3.652 20 0 FHADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658140277 939043886 /nfs/dbraw/zinc/04/38/86/939043886.db2.gz PKHCIWWVGCGPOB-PGRDOPGGSA-N 2 0 368.521 3.893 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C(F)F)nc1 ZINC000658165589 939053149 /nfs/dbraw/zinc/05/31/49/939053149.db2.gz SADVVBGFTVXLQE-HNNXBMFYSA-N 2 0 360.452 3.977 20 0 FHADRP CC(C)[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000658166752 939053629 /nfs/dbraw/zinc/05/36/29/939053629.db2.gz OMHCXZOZBJNBHI-NRFANRHFSA-N 2 0 356.489 3.815 20 0 FHADRP COc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658166246 939054477 /nfs/dbraw/zinc/05/44/77/939054477.db2.gz NFSFOCIVJHVTFW-OAQYLSRUSA-N 2 0 351.494 3.579 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511828525 945224835 /nfs/dbraw/zinc/22/48/35/945224835.db2.gz YESCAEPZHVBEFG-YTFSRNRJSA-N 2 0 355.570 3.671 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658236837 939078628 /nfs/dbraw/zinc/07/86/28/939078628.db2.gz XOGANSJHXCPFFA-OUFMZXHOSA-N 2 0 366.553 3.632 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@@H](C)C1 ZINC000658254314 939090120 /nfs/dbraw/zinc/09/01/20/939090120.db2.gz PGHWRZYYZFJILT-VNTMZGSJSA-N 2 0 366.590 3.839 20 0 FHADRP C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CCC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000427297162 945260319 /nfs/dbraw/zinc/26/03/19/945260319.db2.gz YEBBXVLTKMOXIQ-RTBURBONSA-N 2 0 357.542 3.546 20 0 FHADRP COc1c(C)cc(Br)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204748166 945263573 /nfs/dbraw/zinc/26/35/73/945263573.db2.gz GPUHVMCONSMLPD-UHFFFAOYSA-N 2 0 367.331 3.732 20 0 FHADRP CN(c1ccccc1C[N@H+](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000506766578 945271703 /nfs/dbraw/zinc/27/17/03/945271703.db2.gz HILIRTKQVVWYJU-UHFFFAOYSA-N 2 0 355.501 3.988 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCOC1 ZINC000507516751 945279779 /nfs/dbraw/zinc/27/97/79/945279779.db2.gz XRFACYNMPBNZGU-VQIMIIECSA-N 2 0 350.934 3.957 20 0 FHADRP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000414902873 945280067 /nfs/dbraw/zinc/28/00/67/945280067.db2.gz HUECJIPOIGAUHM-QGZVFWFLSA-N 2 0 352.404 3.575 20 0 FHADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000431636019 939911790 /nfs/dbraw/zinc/91/17/90/939911790.db2.gz NKOWOMQPDHTNQV-OAQYLSRUSA-N 2 0 357.542 3.553 20 0 FHADRP COCC1(C[NH2+]Cc2ccc(Oc3ccc(OC)cc3)cc2)CC[NH2+]CC1 ZINC000414972983 945282867 /nfs/dbraw/zinc/28/28/67/945282867.db2.gz KPVHMQZMVQQLAS-UHFFFAOYSA-N 2 0 370.493 3.593 20 0 FHADRP CSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)ccn1 ZINC000507507052 945286691 /nfs/dbraw/zinc/28/66/91/945286691.db2.gz HBSCYYGXLHKPSX-HSALFYBXSA-N 2 0 353.535 3.804 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000507511157 945290742 /nfs/dbraw/zinc/29/07/42/945290742.db2.gz NZPZCHMODKQRGH-FUHWJXTLSA-N 2 0 363.512 3.893 20 0 FHADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000375901999 940040653 /nfs/dbraw/zinc/04/06/53/940040653.db2.gz DVMUDTHGRYKDPI-GOSISDBHSA-N 2 0 367.990 3.532 20 0 FHADRP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472445468 940168133 /nfs/dbraw/zinc/16/81/33/940168133.db2.gz FMTQSRZNJSUIJW-DYXWJJEUSA-N 2 0 374.573 3.584 20 0 FHADRP Clc1cccc2c1SCC[C@@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133128598 940267270 /nfs/dbraw/zinc/26/72/70/940267270.db2.gz PVVNIPUZTBXGOH-KSSFIOAISA-N 2 0 366.958 3.967 20 0 FHADRP C[N@@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000570418808 940297515 /nfs/dbraw/zinc/29/75/15/940297515.db2.gz VFIKWJHNTQIZAT-VJBWXMMDSA-N 2 0 368.569 3.503 20 0 FHADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000376114715 940330780 /nfs/dbraw/zinc/33/07/80/940330780.db2.gz MMTWYQSIBNSFNW-NDKUEENFSA-N 2 0 370.562 3.565 20 0 FHADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)sn1 ZINC000660621656 945317993 /nfs/dbraw/zinc/31/79/93/945317993.db2.gz AFAPBWYRILIAKD-UHFFFAOYSA-N 2 0 357.523 3.640 20 0 FHADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414065588 940473866 /nfs/dbraw/zinc/47/38/66/940473866.db2.gz GBCDDFKNCSVIAW-QZTJIDSGSA-N 2 0 372.582 3.734 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414065590 940473897 /nfs/dbraw/zinc/47/38/97/940473897.db2.gz GBCDDFKNCSVIAW-ROUUACIJSA-N 2 0 372.582 3.734 20 0 FHADRP CC1CC[NH+](Cc2cccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000431779140 940492874 /nfs/dbraw/zinc/49/28/74/940492874.db2.gz QVGVRRLKFWUDPY-JOCHJYFZSA-N 2 0 371.569 3.799 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000431782359 940497782 /nfs/dbraw/zinc/49/77/82/940497782.db2.gz OOBWBYWQVCHJMI-QFIPXVFZSA-N 2 0 371.569 3.943 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000519360240 945337848 /nfs/dbraw/zinc/33/78/48/945337848.db2.gz TZCXBALEJKYICA-OALUTQOASA-N 2 0 359.558 3.911 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414147510 940679088 /nfs/dbraw/zinc/67/90/88/940679088.db2.gz WDABTBMLJZDKFJ-QFUCXCTJSA-N 2 0 363.977 3.982 20 0 FHADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000414173071 940709280 /nfs/dbraw/zinc/70/92/80/940709280.db2.gz FKCXKVNKZWLMMS-UXPWSPDFSA-N 2 0 350.934 3.752 20 0 FHADRP Clc1ccccc1C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCO1 ZINC000414194875 940742316 /nfs/dbraw/zinc/74/23/16/940742316.db2.gz WCFLRZBOQYQAIA-VQTJNVASSA-N 2 0 355.869 3.868 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000613491978 940771010 /nfs/dbraw/zinc/77/10/10/940771010.db2.gz FKYWYQSLZVOKLZ-QHCPKHFHSA-N 2 0 373.585 3.944 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(C)c3C3CC3)cc2)C1 ZINC000892574454 940816785 /nfs/dbraw/zinc/81/67/85/940816785.db2.gz KFPZFSAUNXXRGL-KRWDZBQOSA-N 2 0 352.526 3.819 20 0 FHADRP CC(C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000443970116 945351403 /nfs/dbraw/zinc/35/14/03/945351403.db2.gz ZNVXWPNRCWEMNF-OAQYLSRUSA-N 2 0 363.590 3.612 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CCC2 ZINC000414293450 940907475 /nfs/dbraw/zinc/90/74/75/940907475.db2.gz BIGKREIXZNEKSF-QGZVFWFLSA-N 2 0 370.562 3.915 20 0 FHADRP CC1(C)CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427423165 945360566 /nfs/dbraw/zinc/36/05/66/945360566.db2.gz ZGMOWVZQBPXMTI-UHFFFAOYSA-N 2 0 357.542 3.524 20 0 FHADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414307631 940934643 /nfs/dbraw/zinc/93/46/43/940934643.db2.gz PLHXJHBWBXJRCJ-PMOQBDJRSA-N 2 0 364.533 3.795 20 0 FHADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311457 940943083 /nfs/dbraw/zinc/94/30/83/940943083.db2.gz VARSNTAQIITCBA-JTSKRJEESA-N 2 0 368.496 3.676 20 0 FHADRP CC1(C)Cc2occc2[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414313524 940946545 /nfs/dbraw/zinc/94/65/45/940946545.db2.gz YIESWDLKRNHELS-FQEVSTJZSA-N 2 0 368.521 3.910 20 0 FHADRP OC1(C[NH2+][C@H]2CCCNc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414314464 940948672 /nfs/dbraw/zinc/94/86/72/940948672.db2.gz ZUUDTGRFOMAZMA-QFIPXVFZSA-N 2 0 365.521 3.550 20 0 FHADRP C[C@@H](CCC1CCCC1)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322888 940969507 /nfs/dbraw/zinc/96/95/07/940969507.db2.gz HUWHAJPOFDYCPL-SFHVURJKSA-N 2 0 371.569 3.832 20 0 FHADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414332495 940991027 /nfs/dbraw/zinc/99/10/27/940991027.db2.gz VGGQACIAYQARNK-LAUBAEHRSA-N 2 0 371.569 3.688 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414333616 940993792 /nfs/dbraw/zinc/99/37/92/940993792.db2.gz ATHFXTMRZUJWLW-DWLFOUALSA-N 2 0 367.512 3.905 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])c2)CC1 ZINC000659005935 940997737 /nfs/dbraw/zinc/99/77/37/940997737.db2.gz XJONVLQAIKYGCR-NQIIRXRSSA-N 2 0 372.557 3.552 20 0 FHADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134315822 941012225 /nfs/dbraw/zinc/01/22/25/941012225.db2.gz WCORLAVOSSRVGB-QGZVFWFLSA-N 2 0 356.341 3.598 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000511509296 941050897 /nfs/dbraw/zinc/05/08/97/941050897.db2.gz APNPJXFKQSFATG-QFIPXVFZSA-N 2 0 367.537 3.951 20 0 FHADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(Cl)c1OC ZINC000647543404 941065381 /nfs/dbraw/zinc/06/53/81/941065381.db2.gz MQJBYLAJUQZEDL-JKSUJKDBSA-N 2 0 352.906 3.569 20 0 FHADRP c1ccc(COCc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000647549202 941070914 /nfs/dbraw/zinc/07/09/14/941070914.db2.gz MZRJEUGDFDZKTQ-XPWALMASSA-N 2 0 350.506 3.881 20 0 FHADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000134429508 941071375 /nfs/dbraw/zinc/07/13/75/941071375.db2.gz NPGOUMULJCTAFT-QGZVFWFLSA-N 2 0 356.341 3.596 20 0 FHADRP c1c[nH]c([C@@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)n1 ZINC000376495230 941083454 /nfs/dbraw/zinc/08/34/54/941083454.db2.gz MAQQYJWHBFOBBF-ROUUACIJSA-N 2 0 356.518 3.667 20 0 FHADRP COCCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000423392446 941095649 /nfs/dbraw/zinc/09/56/49/941095649.db2.gz QEKAOGIIXAHYII-ULQDDVLXSA-N 2 0 355.320 3.776 20 0 FHADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc3ccc(Br)cc3[nH]1)CC2 ZINC001279718359 941098609 /nfs/dbraw/zinc/09/86/09/941098609.db2.gz BGWPVGHSYHGMKU-UHFFFAOYSA-N 2 0 362.315 3.848 20 0 FHADRP Cc1cc(NC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1OCC[NH+](C)C ZINC000414400110 941100601 /nfs/dbraw/zinc/10/06/01/941100601.db2.gz MFYGVQVDXKYXLX-UHFFFAOYSA-N 2 0 370.497 3.641 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000163571068 941122367 /nfs/dbraw/zinc/12/23/67/941122367.db2.gz ANNVNRIXNORGTL-SFHVURJKSA-N 2 0 363.509 3.960 20 0 FHADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000178248408 941211631 /nfs/dbraw/zinc/21/16/31/941211631.db2.gz AIXZABIKLWQZGK-CRAIPNDOSA-N 2 0 355.457 3.696 20 0 FHADRP Cc1ccc2nc(CSCC(=O)Nc3ccc([C@H](C)[NH3+])cc3)cn2c1 ZINC000178235589 941212587 /nfs/dbraw/zinc/21/25/87/941212587.db2.gz MYUJDQLWTZHPNK-AWEZNQCLSA-N 2 0 354.479 3.534 20 0 FHADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000311319788 941229113 /nfs/dbraw/zinc/22/91/13/941229113.db2.gz JLCYHFNUPACRMI-RTBURBONSA-N 2 0 367.578 3.922 20 0 FHADRP O[C@@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1F ZINC000311498792 941314930 /nfs/dbraw/zinc/31/49/30/941314930.db2.gz LGKZMQKDUOJQHR-PXNSSMCTSA-N 2 0 360.448 3.500 20 0 FHADRP COc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180106457 941352233 /nfs/dbraw/zinc/35/22/33/941352233.db2.gz RSUGVOGKYOBWNV-ZYJGPIPZSA-N 2 0 366.505 3.514 20 0 FHADRP C[NH+](C)Cc1ccc(-c2noc(C(C)(C)[C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000414629507 941419364 /nfs/dbraw/zinc/41/93/64/941419364.db2.gz UMQMUQWRVJVSRB-GOSISDBHSA-N 2 0 350.466 3.776 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3nnc(C(C)C)s3)CC2)cc1 ZINC000892747639 941509864 /nfs/dbraw/zinc/50/98/64/941509864.db2.gz CNSNUGAGEAGVRZ-UHFFFAOYSA-N 2 0 374.554 3.672 20 0 FHADRP CCOc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000415011162 941539674 /nfs/dbraw/zinc/53/96/74/941539674.db2.gz QGLNGPOWEVQPDS-JKSUJKDBSA-N 2 0 372.431 3.504 20 0 FHADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cc(-n3ccnc3)cs2)cc1 ZINC000415011559 941540250 /nfs/dbraw/zinc/54/02/50/941540250.db2.gz WDNSMJWIEDPPTE-UZLBHIALSA-N 2 0 370.497 3.556 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000415021311 941545402 /nfs/dbraw/zinc/54/54/02/941545402.db2.gz KMYRIXZHRTZMQM-ZWNOBZJWSA-N 2 0 358.326 3.776 20 0 FHADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000415024822 941548466 /nfs/dbraw/zinc/54/84/66/941548466.db2.gz OIJBFBVWQWTFBR-HDJSIYSDSA-N 2 0 366.431 3.950 20 0 FHADRP CCOc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039689 941560201 /nfs/dbraw/zinc/56/02/01/941560201.db2.gz JMCBGBSTBZSULC-RDJZCZTQSA-N 2 0 352.906 3.711 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000472689944 941576953 /nfs/dbraw/zinc/57/69/53/941576953.db2.gz UMOFWLAYXZEVLI-HKUYNNGSSA-N 2 0 372.488 3.930 20 0 FHADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415060662 941578905 /nfs/dbraw/zinc/57/89/05/941578905.db2.gz XFURQYLSZCJTLE-VFUGHAIPSA-N 2 0 361.961 3.782 20 0 FHADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415062112 941580214 /nfs/dbraw/zinc/58/02/14/941580214.db2.gz ZRDAUKUZGMPLCT-QQFBHYJXSA-N 2 0 355.979 3.529 20 0 FHADRP CC(C)[NH+]1CCN(CCCN2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000549177013 941588238 /nfs/dbraw/zinc/58/82/38/941588238.db2.gz APUKICFBTXFMQX-HXUWFJFHSA-N 2 0 367.940 3.627 20 0 FHADRP COc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1OC(F)F ZINC000415072042 941588839 /nfs/dbraw/zinc/58/88/39/941588839.db2.gz XMABLOPIFAFNRO-MRXNPFEDSA-N 2 0 350.409 3.866 20 0 FHADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000415085254 941590620 /nfs/dbraw/zinc/59/06/20/941590620.db2.gz PSJUPRIFEIRVSD-HRCADAONSA-N 2 0 372.431 3.647 20 0 FHADRP Clc1ccc(CN2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1Cl ZINC000415088281 941597282 /nfs/dbraw/zinc/59/72/82/941597282.db2.gz WFWFHUWHMWNIRA-UHFFFAOYSA-N 2 0 356.341 3.547 20 0 FHADRP CCOc1ccc(Oc2cc(C[NH2+]C[C@H]3CC[NH2+][C@H](C)C3)ccn2)cc1 ZINC000415112426 941607772 /nfs/dbraw/zinc/60/77/72/941607772.db2.gz RXDNQIRZIGTCRU-SJORKVTESA-N 2 0 355.482 3.750 20 0 FHADRP COc1ccc2ccccc2c1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415127413 941615742 /nfs/dbraw/zinc/61/57/42/941615742.db2.gz MXRBMQOPPDENNR-IRLDBZIGSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc(C)c1OC(F)F ZINC000415120868 941617721 /nfs/dbraw/zinc/61/77/21/941617721.db2.gz HJHDWMRIYVWJAA-ROUUACIJSA-N 2 0 368.468 3.623 20 0 FHADRP Clc1cc(Cl)cc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415124742 941620486 /nfs/dbraw/zinc/62/04/86/941620486.db2.gz RLPYXDCDVDFCOF-AWEZNQCLSA-N 2 0 356.341 3.547 20 0 FHADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000415124640 941620557 /nfs/dbraw/zinc/62/05/57/941620557.db2.gz MVQWNPUGAPKENF-KNQAVFIVSA-N 2 0 358.526 3.726 20 0 FHADRP Clc1cc(Cl)cc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415124744 941620590 /nfs/dbraw/zinc/62/05/90/941620590.db2.gz RLPYXDCDVDFCOF-CQSZACIVSA-N 2 0 356.341 3.547 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129441 941622742 /nfs/dbraw/zinc/62/27/42/941622742.db2.gz UWZLTAPYMXIQPU-ZWKOTPCHSA-N 2 0 368.468 3.623 20 0 FHADRP CC(C)CCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415131347 941623888 /nfs/dbraw/zinc/62/38/88/941623888.db2.gz ZBBSVLYYCVFHSS-RBBKRZOGSA-N 2 0 360.542 3.830 20 0 FHADRP COc1ccc2cc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)ccc2c1 ZINC000415131970 941625267 /nfs/dbraw/zinc/62/52/67/941625267.db2.gz SWHFLAQHHHHDHC-FGZHOGPDSA-N 2 0 354.494 3.567 20 0 FHADRP NC1(C[NH2+]Cc2cc3cc(F)ccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140392 941627173 /nfs/dbraw/zinc/62/71/73/941627173.db2.gz ZCCYFXJHCNCWEO-UHFFFAOYSA-N 2 0 367.468 3.655 20 0 FHADRP Cc1cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc2cccnc12 ZINC000415141002 941628254 /nfs/dbraw/zinc/62/82/54/941628254.db2.gz ZZDKWRDGMBNLKU-UHFFFAOYSA-N 2 0 374.532 3.626 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000377382783 941683630 /nfs/dbraw/zinc/68/36/30/941683630.db2.gz MMFZFRQFAVOUNH-GHTZIAJQSA-N 2 0 368.525 3.623 20 0 FHADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000729266250 941705139 /nfs/dbraw/zinc/70/51/39/941705139.db2.gz SBYNBXREVHIBBC-UHFFFAOYSA-N 2 0 360.933 3.667 20 0 FHADRP Clc1cc(Br)ccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797803 941711705 /nfs/dbraw/zinc/71/17/05/941711705.db2.gz CQEOPQYYILFCMR-KCQAQPDRSA-N 2 0 357.723 3.623 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000513203719 941779252 /nfs/dbraw/zinc/77/92/52/941779252.db2.gz IYOVIYLXICGJTG-NQIIRXRSSA-N 2 0 365.606 3.509 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)NCCC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415394001 941801853 /nfs/dbraw/zinc/80/18/53/941801853.db2.gz PVHPDNUYGVISBU-FQEVSTJZSA-N 2 0 372.557 3.615 20 0 FHADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000513330371 941856283 /nfs/dbraw/zinc/85/62/83/941856283.db2.gz KUUSQMMIWZUHLN-WMZOPIPTSA-N 2 0 350.576 3.602 20 0 FHADRP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698471 941909328 /nfs/dbraw/zinc/90/93/28/941909328.db2.gz PCFWMMBEJAJVGO-UHFFFAOYSA-N 2 0 365.456 3.712 20 0 FHADRP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698712 941909570 /nfs/dbraw/zinc/90/95/70/941909570.db2.gz KLSVLLCIOFHXCJ-UHFFFAOYSA-N 2 0 367.493 3.828 20 0 FHADRP CC(C)[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377708367 941916742 /nfs/dbraw/zinc/91/67/42/941916742.db2.gz XIKZSVSBLDZHDF-HNTVYWHESA-N 2 0 355.570 3.669 20 0 FHADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000377720452 941934281 /nfs/dbraw/zinc/93/42/81/941934281.db2.gz NIMDGCQRBBQMFE-INIZCTEOSA-N 2 0 358.461 3.639 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133211 941943312 /nfs/dbraw/zinc/94/33/12/941943312.db2.gz JWYIBQVNLDZGRF-FQEVSTJZSA-N 2 0 369.578 3.935 20 0 FHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659862940 941954257 /nfs/dbraw/zinc/95/42/57/941954257.db2.gz GDSMTEWHIOGCNR-KCZVDYSFSA-N 2 0 355.570 3.597 20 0 FHADRP Cc1[nH]nc2ncc(C[NH2+]CC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000513495240 941962392 /nfs/dbraw/zinc/96/23/92/941962392.db2.gz NEXKQICVYQHTKM-QFBILLFUSA-N 2 0 363.509 3.657 20 0 FHADRP CCn1nc(C)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000513501418 941973595 /nfs/dbraw/zinc/97/35/95/941973595.db2.gz SUJNSBIQTJXNRC-UTKZUKDTSA-N 2 0 354.542 3.910 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](CCC[NH3+])c3ccccc3)ccc21 ZINC000415782960 942049739 /nfs/dbraw/zinc/04/97/39/942049739.db2.gz FLWREAULMSQWKA-LEWJYISDSA-N 2 0 366.509 3.837 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000415908484 942127890 /nfs/dbraw/zinc/12/78/90/942127890.db2.gz PPWGMBPYWPOSID-OAQYLSRUSA-N 2 0 366.509 3.582 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000415904169 942130647 /nfs/dbraw/zinc/13/06/47/942130647.db2.gz GIPJXQYYWOXCJV-OAQYLSRUSA-N 2 0 366.509 3.582 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000415914222 942136751 /nfs/dbraw/zinc/13/67/51/942136751.db2.gz VJDQVEWZRXJFSQ-SFHVURJKSA-N 2 0 358.530 3.526 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)c1 ZINC000415911382 942145399 /nfs/dbraw/zinc/14/53/99/942145399.db2.gz YDAVAWQGMUPTNW-SFHVURJKSA-N 2 0 358.486 3.594 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415912480 942147213 /nfs/dbraw/zinc/14/72/13/942147213.db2.gz LLMQBWWZSKLUCC-YLJYHZDGSA-N 2 0 366.509 3.581 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000415934567 942161479 /nfs/dbraw/zinc/16/14/79/942161479.db2.gz SFJVSYMCDCCBGK-UHFFFAOYSA-N 2 0 360.546 3.962 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000415928460 942164750 /nfs/dbraw/zinc/16/47/50/942164750.db2.gz FLRHLFBMICRPKD-UHFFFAOYSA-N 2 0 372.557 3.916 20 0 FHADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000651225494 942166629 /nfs/dbraw/zinc/16/66/29/942166629.db2.gz CNIPOXPAVAUCSZ-KBXCAEBGSA-N 2 0 351.332 3.702 20 0 FHADRP C[C@@H](CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000472931383 942169273 /nfs/dbraw/zinc/16/92/73/942169273.db2.gz SLYQPJNLWZNCDH-KRWDZBQOSA-N 2 0 374.573 3.505 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000415943289 942174189 /nfs/dbraw/zinc/17/41/89/942174189.db2.gz LIHSVQSQNNFLQN-FQEVSTJZSA-N 2 0 360.546 3.674 20 0 FHADRP CCc1cc(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)ccc1C ZINC000182010184 942193345 /nfs/dbraw/zinc/19/33/45/942193345.db2.gz NEXHPVPJCCXCSU-UHFFFAOYSA-N 2 0 372.557 3.629 20 0 FHADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000051189415 942211987 /nfs/dbraw/zinc/21/19/87/942211987.db2.gz WOXIKNQBAWVUKI-UHFFFAOYSA-N 2 0 355.457 3.580 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000415969615 942215304 /nfs/dbraw/zinc/21/53/04/942215304.db2.gz GRLONHQYOYTEBT-GOSISDBHSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000415976918 942219443 /nfs/dbraw/zinc/21/94/43/942219443.db2.gz WWMZUIHBLHRHNI-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000415976657 942220387 /nfs/dbraw/zinc/22/03/87/942220387.db2.gz WNZVZLUXSWUMCH-UHFFFAOYSA-N 2 0 372.538 3.501 20 0 FHADRP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000415978177 942220839 /nfs/dbraw/zinc/22/08/39/942220839.db2.gz XGEFLFFQPHZFQC-QWHCGFSZSA-N 2 0 372.435 3.549 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415980248 942223278 /nfs/dbraw/zinc/22/32/78/942223278.db2.gz SEMDUJSYEHCONA-QGZVFWFLSA-N 2 0 366.509 3.699 20 0 FHADRP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(C[NH3+])cc2)C[N@@H+]1Cc1ccccc1 ZINC000415981061 942224977 /nfs/dbraw/zinc/22/49/77/942224977.db2.gz UOTOMNUOWQZPBJ-XLIONFOSSA-N 2 0 366.509 3.568 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000415987046 942228735 /nfs/dbraw/zinc/22/87/35/942228735.db2.gz WGTWPVXWVQVCBF-GOSISDBHSA-N 2 0 372.557 3.914 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1)CC(C)C ZINC000416011639 942252806 /nfs/dbraw/zinc/25/28/06/942252806.db2.gz PVHSJULHLNFKMR-UHFFFAOYSA-N 2 0 372.557 3.902 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000501009568 942255890 /nfs/dbraw/zinc/25/58/90/942255890.db2.gz CZDSLYDZQQJCAJ-MRXNPFEDSA-N 2 0 357.464 3.772 20 0 FHADRP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045731 942273327 /nfs/dbraw/zinc/27/33/27/942273327.db2.gz JZYTVKXPUHRMKF-IBGZPJMESA-N 2 0 374.573 3.561 20 0 FHADRP Cc1ccc(C)c(OCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501082178 942300680 /nfs/dbraw/zinc/30/06/80/942300680.db2.gz QWOXBRROCNDSOA-UHFFFAOYSA-N 2 0 353.510 3.926 20 0 FHADRP Cc1cc(C)cc(OCCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000501098816 942306263 /nfs/dbraw/zinc/30/62/63/942306263.db2.gz DWMHIZYFSNKVAS-FGZHOGPDSA-N 2 0 373.585 3.563 20 0 FHADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000414496999 942331189 /nfs/dbraw/zinc/33/11/89/942331189.db2.gz ZVEDPLNPBCTTCL-UHFFFAOYSA-N 2 0 360.505 3.665 20 0 FHADRP CC(C)Oc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000188155347 942351439 /nfs/dbraw/zinc/35/14/39/942351439.db2.gz DBFWCSBXUDTHQX-UHFFFAOYSA-N 2 0 367.965 3.585 20 0 FHADRP Clc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000419695333 942354432 /nfs/dbraw/zinc/35/44/32/942354432.db2.gz RVUZIOGTOHONSO-KKUMJFAQSA-N 2 0 354.325 3.789 20 0 FHADRP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000312042652 942389543 /nfs/dbraw/zinc/38/95/43/942389543.db2.gz XDDCTPMELMMYIN-DENIHFKCSA-N 2 0 356.485 3.751 20 0 FHADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416148226 942398845 /nfs/dbraw/zinc/39/88/45/942398845.db2.gz ZLRQJVYWESGIDG-IZZBFERCSA-N 2 0 357.542 3.543 20 0 FHADRP CC(C)[NH+](CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000180695321 942409703 /nfs/dbraw/zinc/40/97/03/942409703.db2.gz YCYOAKXWKDLMIG-UHFFFAOYSA-N 2 0 355.567 3.921 20 0 FHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000502430227 942428256 /nfs/dbraw/zinc/42/82/56/942428256.db2.gz KKADHZQWJVLRBI-WEMPKCCASA-N 2 0 360.542 3.591 20 0 FHADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000502430225 942428811 /nfs/dbraw/zinc/42/88/11/942428811.db2.gz KKADHZQWJVLRBI-OZIGNCPNSA-N 2 0 360.542 3.591 20 0 FHADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000501386638 942441953 /nfs/dbraw/zinc/44/19/53/942441953.db2.gz MCRIOABJLCHZIM-FQEVSTJZSA-N 2 0 352.522 3.912 20 0 FHADRP Brc1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414826512 942447772 /nfs/dbraw/zinc/44/77/72/942447772.db2.gz IYLRNFXZCNUYKV-LBPRGKRZSA-N 2 0 366.328 3.662 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000414828284 942468096 /nfs/dbraw/zinc/46/80/96/942468096.db2.gz ZHDIQXLWTFBBCX-GHMZBOCLSA-N 2 0 365.237 3.946 20 0 FHADRP CCOc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414829521 942477503 /nfs/dbraw/zinc/47/75/03/942477503.db2.gz KRYWIOUCUCNHSS-SFHVURJKSA-N 2 0 354.494 3.754 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414829851 942479782 /nfs/dbraw/zinc/47/97/82/942479782.db2.gz BODIRYBZTZLBCR-QGZVFWFLSA-N 2 0 360.933 3.681 20 0 FHADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)(N2CCCCC2)CC1 ZINC000501447832 942482998 /nfs/dbraw/zinc/48/29/98/942482998.db2.gz ACIYSQCHSHYHAV-RBBKRZOGSA-N 2 0 370.585 3.648 20 0 FHADRP C[NH+](C)[C@H](CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccccc1 ZINC000416226705 942513293 /nfs/dbraw/zinc/51/32/93/942513293.db2.gz VLGLZRRNTLUXRC-WOJBJXKFSA-N 2 0 367.493 3.703 20 0 FHADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000041800715 942521870 /nfs/dbraw/zinc/52/18/70/942521870.db2.gz JCJFXRMWZUAMHR-HXUWFJFHSA-N 2 0 369.509 3.688 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000421372034 942524137 /nfs/dbraw/zinc/52/41/37/942524137.db2.gz LRPWVDWLVKRVFH-QQFBHYJXSA-N 2 0 351.922 3.828 20 0 FHADRP C[NH+](C)C1CCC([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000421380248 942529613 /nfs/dbraw/zinc/52/96/13/942529613.db2.gz XYFFQFXYXUPPFK-UHFFFAOYSA-N 2 0 368.312 3.537 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430039544 942563576 /nfs/dbraw/zinc/56/35/76/942563576.db2.gz MLFPTZWWFJLFQP-CQSZACIVSA-N 2 0 357.876 3.617 20 0 FHADRP FC(F)(F)c1cc(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414842881 942569141 /nfs/dbraw/zinc/56/91/41/942569141.db2.gz ZSHBQYOBOXZGSR-JTQLQIEISA-N 2 0 351.210 3.557 20 0 FHADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414842246 942576305 /nfs/dbraw/zinc/57/63/05/942576305.db2.gz YUUMFBGEYLFSIV-KRWDZBQOSA-N 2 0 364.468 3.768 20 0 FHADRP C[C@@H]1CCC[C@@](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)([NH+](C)C)C1 ZINC000549416671 942585584 /nfs/dbraw/zinc/58/55/84/942585584.db2.gz ZFANDQRMUOXKJF-XMSQKQJNSA-N 2 0 357.542 3.523 20 0 FHADRP C[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000420297646 942599209 /nfs/dbraw/zinc/59/92/09/942599209.db2.gz RIWDRQFVRLDZDD-OAQYLSRUSA-N 2 0 351.494 3.606 20 0 FHADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc(-c2ccc(Cl)cc2)n1 ZINC000420303190 942612259 /nfs/dbraw/zinc/61/22/59/942612259.db2.gz HLHDJVWCOHHGHM-UHFFFAOYSA-N 2 0 356.901 3.681 20 0 FHADRP C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420304151 942612347 /nfs/dbraw/zinc/61/23/47/942612347.db2.gz LAUHAWVYQCTLGU-QGZVFWFLSA-N 2 0 358.505 3.860 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2CN([C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C[C@H]12 ZINC000420312553 942616044 /nfs/dbraw/zinc/61/60/44/942616044.db2.gz SLYNCNFSDCRWQX-CJXUKZFBSA-N 2 0 359.473 3.761 20 0 FHADRP C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420313585 942617461 /nfs/dbraw/zinc/61/74/61/942617461.db2.gz YCXFCVACTYDQFC-QGZVFWFLSA-N 2 0 358.505 3.860 20 0 FHADRP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420320448 942621362 /nfs/dbraw/zinc/62/13/62/942621362.db2.gz QFFLJDMXVPZOIQ-YCRPNKLZSA-N 2 0 372.534 3.712 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420339969 942624006 /nfs/dbraw/zinc/62/40/06/942624006.db2.gz RQJPGJLFVNZTLR-HXUWFJFHSA-N 2 0 360.505 3.965 20 0 FHADRP [NH3+]C[C@@H]1C[N@H+](CCCSc2ccccc2Cl)CC12CCOCC2 ZINC000420326294 942629522 /nfs/dbraw/zinc/62/95/22/942629522.db2.gz JSJBLMSPPPJWDA-OAHLLOKOSA-N 2 0 354.947 3.510 20 0 FHADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420327038 942629574 /nfs/dbraw/zinc/62/95/74/942629574.db2.gz CPCDZKORSZAOOA-UHFFFAOYSA-N 2 0 356.901 3.681 20 0 FHADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327927 942630469 /nfs/dbraw/zinc/63/04/69/942630469.db2.gz LSWXBKUKPFMAQX-KBMXLJTQSA-N 2 0 360.889 3.773 20 0 FHADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365401 942640967 /nfs/dbraw/zinc/64/09/67/942640967.db2.gz SAKQIQXBJJJHOY-YJBOKZPZSA-N 2 0 359.539 3.766 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000420373359 942644170 /nfs/dbraw/zinc/64/41/70/942644170.db2.gz GIVUVJMRWNYIEX-AEFFLSMTSA-N 2 0 373.324 3.591 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1F ZINC000420379984 942647312 /nfs/dbraw/zinc/64/73/12/942647312.db2.gz BXYSNNKTUUADKT-MJGOQNOKSA-N 2 0 372.488 3.581 20 0 FHADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000420381382 942647403 /nfs/dbraw/zinc/64/74/03/942647403.db2.gz OXENJHRLLGQHRZ-SJORKVTESA-N 2 0 373.324 3.591 20 0 FHADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383841 942648234 /nfs/dbraw/zinc/64/82/34/942648234.db2.gz FVBUGJLYTVZCGE-LZQZEXGQSA-N 2 0 355.482 3.621 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000420384358 942649041 /nfs/dbraw/zinc/64/90/41/942649041.db2.gz ROWZOWNOWRJWEE-QZTJIDSGSA-N 2 0 373.324 3.591 20 0 FHADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398456 942655273 /nfs/dbraw/zinc/65/52/73/942655273.db2.gz YSTUPMZEJQQUHK-YJBOKZPZSA-N 2 0 373.324 3.591 20 0 FHADRP CCN1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420414597 942656679 /nfs/dbraw/zinc/65/66/79/942656679.db2.gz UMNNSMFGLOEESV-RBUKOAKNSA-N 2 0 353.913 3.594 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420408398 942664384 /nfs/dbraw/zinc/66/43/84/942664384.db2.gz WGFILJUJWIFECC-UXHICEINSA-N 2 0 360.505 3.965 20 0 FHADRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc2ccccc21 ZINC000647901939 942665276 /nfs/dbraw/zinc/66/52/76/942665276.db2.gz XQSGQFNUNRJVHP-UYAOXDASSA-N 2 0 351.494 3.632 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000502702509 942669047 /nfs/dbraw/zinc/66/90/47/942669047.db2.gz ZHRNLEOWBHERBO-QGZVFWFLSA-N 2 0 356.514 3.789 20 0 FHADRP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cc1OC ZINC000502708422 942674203 /nfs/dbraw/zinc/67/42/03/942674203.db2.gz XPRQKJJSZLXFCU-UXHICEINSA-N 2 0 360.542 3.975 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)nc1 ZINC000182246413 942700160 /nfs/dbraw/zinc/70/01/60/942700160.db2.gz GWDMFOLJXRJVNS-DNVCBOLYSA-N 2 0 359.901 3.543 20 0 FHADRP CC(C)CNC(=O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979207 942735250 /nfs/dbraw/zinc/73/52/50/942735250.db2.gz JYDYBPAPWHDMFW-QHCPKHFHSA-N 2 0 371.569 3.527 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)c1 ZINC000514105770 942749080 /nfs/dbraw/zinc/74/90/80/942749080.db2.gz UBRLRXWUGJAVJY-SFHVURJKSA-N 2 0 363.509 3.960 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000513755020 942752932 /nfs/dbraw/zinc/75/29/32/942752932.db2.gz PFXCIZRRZAOKTJ-UHFFFAOYSA-N 2 0 352.478 3.759 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000514099076 942758032 /nfs/dbraw/zinc/75/80/32/942758032.db2.gz LQVLBANNAOBFLP-HTUFRPJOSA-N 2 0 367.581 3.894 20 0 FHADRP CC[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000414547224 942761387 /nfs/dbraw/zinc/76/13/87/942761387.db2.gz HPEJOJBSLMUVLN-OAQYLSRUSA-N 2 0 352.522 3.797 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502815059 942766462 /nfs/dbraw/zinc/76/64/62/942766462.db2.gz NMWQWNCRWSQHAZ-RTBURBONSA-N 2 0 374.573 3.680 20 0 FHADRP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000514136805 942774632 /nfs/dbraw/zinc/77/46/32/942774632.db2.gz BBPTUJVCUAWINN-TZIWHRDSSA-N 2 0 374.573 3.552 20 0 FHADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000514163217 942784201 /nfs/dbraw/zinc/78/42/01/942784201.db2.gz VBXRQKVCKPKQOB-NRFANRHFSA-N 2 0 374.573 3.633 20 0 FHADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)ccc1OC ZINC000183003916 942815093 /nfs/dbraw/zinc/81/50/93/942815093.db2.gz UTLKCOOLKCWYQU-BEFAXECRSA-N 2 0 362.539 3.983 20 0 FHADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccncc3Cl)cc2)CC1 ZINC000421821834 942832146 /nfs/dbraw/zinc/83/21/46/942832146.db2.gz UKUVPVUDSMXHLJ-QGZVFWFLSA-N 2 0 372.944 3.723 20 0 FHADRP CC(=O)N1CC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c2ccccc2C1 ZINC000378501730 942832101 /nfs/dbraw/zinc/83/21/01/942832101.db2.gz WNHFFVUSLSXAKB-PGRDOPGGSA-N 2 0 357.542 3.724 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1Cl ZINC000421834488 942839089 /nfs/dbraw/zinc/83/90/89/942839089.db2.gz OVLKGPASJFAQKR-OAHLLOKOSA-N 2 0 359.901 3.543 20 0 FHADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421818513 942845186 /nfs/dbraw/zinc/84/51/86/942845186.db2.gz BDFLHGGIUCHIRJ-SFHVURJKSA-N 2 0 372.944 3.594 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCO[C@@H]1CCCCO1 ZINC000514238520 942853227 /nfs/dbraw/zinc/85/32/27/942853227.db2.gz FMOHEILXSCAQBL-KIZRIRGWSA-N 2 0 360.542 3.666 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000421884110 942864349 /nfs/dbraw/zinc/86/43/49/942864349.db2.gz UAWIPUQSGXKJFO-HOIMLPCSSA-N 3 0 355.570 3.892 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000430112875 942926646 /nfs/dbraw/zinc/92/66/46/942926646.db2.gz ZVICMEZZOGRYKD-UHFFFAOYSA-N 2 0 359.558 3.610 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503048265 942939280 /nfs/dbraw/zinc/93/92/80/942939280.db2.gz BBIOIQJZFNXPJA-QRVBRYPASA-N 2 0 374.573 3.535 20 0 FHADRP Cc1nnc([C@@H](C)[NH2+]CCCCCC[NH2+][C@H](C)c2nnc(C)s2)s1 ZINC000273559226 942985127 /nfs/dbraw/zinc/98/51/27/942985127.db2.gz DBOKSDLRJJRKGD-VXGBXAGGSA-N 2 0 368.576 3.568 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000503133131 943002778 /nfs/dbraw/zinc/00/27/78/943002778.db2.gz BFNNDCUQVWMDOV-SFHVURJKSA-N 2 0 374.573 3.680 20 0 FHADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860018 943059069 /nfs/dbraw/zinc/05/90/69/943059069.db2.gz OBERVVCNFVVFJU-MRXNPFEDSA-N 2 0 365.949 3.718 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414859215 943060907 /nfs/dbraw/zinc/06/09/07/943060907.db2.gz SZHZQKGCRSNFRU-JQWIXIFHSA-N 2 0 363.246 3.528 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414651318 943097543 /nfs/dbraw/zinc/09/75/43/943097543.db2.gz BXRHDKDHZJBQLT-IRXDYDNUSA-N 2 0 353.514 3.619 20 0 FHADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272281166 943128192 /nfs/dbraw/zinc/12/81/92/943128192.db2.gz ADKXGSGLOZPSCO-HUUJSLGLSA-N 2 0 350.510 3.583 20 0 FHADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414660072 943135763 /nfs/dbraw/zinc/13/57/63/943135763.db2.gz MDOWUUNCPHEBFM-OAQYLSRUSA-N 2 0 363.509 3.740 20 0 FHADRP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000272381934 943146817 /nfs/dbraw/zinc/14/68/17/943146817.db2.gz BZCQXFGIUIVYBF-DYESRHJHSA-N 2 0 351.494 3.645 20 0 FHADRP Cc1noc(C2CCC([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000272536234 943173295 /nfs/dbraw/zinc/17/32/95/943173295.db2.gz BEOYDFDXIOMZRD-QGZBPCDMSA-N 2 0 368.525 3.904 20 0 FHADRP Cc1nccn1CCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000510025434 943209029 /nfs/dbraw/zinc/20/90/29/943209029.db2.gz DUOPYLPOSSAEKB-GOSISDBHSA-N 2 0 363.889 3.583 20 0 FHADRP CCS[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@H]2SCC)COC1 ZINC000503517788 943229850 /nfs/dbraw/zinc/22/98/50/943229850.db2.gz SDDNCUIMJUIXGG-WNRNVDISSA-N 2 0 372.644 3.531 20 0 FHADRP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCCO2 ZINC000422698737 943237076 /nfs/dbraw/zinc/23/70/76/943237076.db2.gz AUAAIUQNIIHXKP-BHYGNILZSA-N 2 0 350.890 3.512 20 0 FHADRP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000422707107 943241607 /nfs/dbraw/zinc/24/16/07/943241607.db2.gz GRDZUMJHGBQITF-FPOVZHCZSA-N 2 0 351.494 3.854 20 0 FHADRP CC(C)(C)c1csc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422735860 943251370 /nfs/dbraw/zinc/25/13/70/943251370.db2.gz FJVKPBNVSJWUQJ-KKSFZXQISA-N 2 0 371.550 3.829 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422716011 943255016 /nfs/dbraw/zinc/25/50/16/943255016.db2.gz SXOSMJPIYZXDBR-GHTZIAJQSA-N 2 0 360.542 3.783 20 0 FHADRP CC[C@@H]1C[C@@H](C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000503581476 943262938 /nfs/dbraw/zinc/26/29/38/943262938.db2.gz OAURJBOMLJXTCT-FCHUYYIVSA-N 2 0 374.569 3.853 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)CC[NH2+]CC1 ZINC000422760839 943264188 /nfs/dbraw/zinc/26/41/88/943264188.db2.gz MGGVUACILBJCEE-DLBZAZTESA-N 2 0 354.494 3.812 20 0 FHADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000422738562 943265826 /nfs/dbraw/zinc/26/58/26/943265826.db2.gz JVOXSWXLHKGTKJ-DETPVDSQSA-N 2 0 373.360 3.576 20 0 FHADRP c1ccc(C(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000422737664 943265878 /nfs/dbraw/zinc/26/58/78/943265878.db2.gz XQFXLSCNZJAIDA-TZRRMPRUSA-N 2 0 364.533 3.955 20 0 FHADRP c1ccc(N2CCC([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422743310 943269073 /nfs/dbraw/zinc/26/90/73/943269073.db2.gz TVGHMHMPTXYRRH-JTHBVZDNSA-N 2 0 363.505 3.501 20 0 FHADRP CN(CCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422745255 943269559 /nfs/dbraw/zinc/26/95/59/943269559.db2.gz XLIKNWPWMOTXGB-FYYLOGMGSA-N 2 0 365.521 3.749 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000422748863 943270445 /nfs/dbraw/zinc/27/04/45/943270445.db2.gz WNTGUGRJUZRHPA-WMZOPIPTSA-N 2 0 352.526 3.725 20 0 FHADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422752395 943272980 /nfs/dbraw/zinc/27/29/80/943272980.db2.gz CTNAKJJTPRGVPY-HOQQESESSA-N 2 0 358.526 3.673 20 0 FHADRP c1cn(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc12 ZINC000422753798 943273068 /nfs/dbraw/zinc/27/30/68/943273068.db2.gz GKLXHNXEQCUGHK-OFNKIYASSA-N 2 0 361.489 3.877 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)COCc1ccccc1 ZINC000422765746 943274411 /nfs/dbraw/zinc/27/44/11/943274411.db2.gz REBKOAAGTAWJJU-JZWVFAODSA-N 2 0 366.505 3.685 20 0 FHADRP CCOc1cc(CCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC ZINC000422766924 943274632 /nfs/dbraw/zinc/27/46/32/943274632.db2.gz XXRBUQYYFUVEGN-OAHLLOKOSA-N 2 0 357.498 3.539 20 0 FHADRP COc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(OC)cc2)cc1 ZINC000422770135 943276229 /nfs/dbraw/zinc/27/62/29/943276229.db2.gz PTPSQSFNCJQTDP-SRDOODBNSA-N 2 0 366.505 3.860 20 0 FHADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000093006875 943276656 /nfs/dbraw/zinc/27/66/56/943276656.db2.gz PDKKXVLXDGYURG-SANMLTNESA-N 2 0 370.562 3.768 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])c2ccc(OC)cc2)cc1 ZINC000422775062 943278486 /nfs/dbraw/zinc/27/84/86/943278486.db2.gz ZSINUZNWADAYQW-NYVOZVTQSA-N 2 0 354.494 3.705 20 0 FHADRP c1ccc2nc(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422776049 943278515 /nfs/dbraw/zinc/27/85/15/943278515.db2.gz CABLRRYQLGCLPB-JTHBVZDNSA-N 2 0 359.473 3.623 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422778073 943278972 /nfs/dbraw/zinc/27/89/72/943278972.db2.gz AAQRWLYCDHTELE-QGZVFWFLSA-N 3 0 352.526 3.685 20 0 FHADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422783332 943281652 /nfs/dbraw/zinc/28/16/52/943281652.db2.gz HGNLUVANULOJGG-ZWCUEREDSA-N 2 0 352.478 3.608 20 0 FHADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422785643 943282725 /nfs/dbraw/zinc/28/27/25/943282725.db2.gz NPRGGOAWZPDCJF-VGOFRKELSA-N 2 0 371.956 3.853 20 0 FHADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422784303 943282773 /nfs/dbraw/zinc/28/27/73/943282773.db2.gz NYRHYXLYQXQBHQ-JWNTYJGQSA-N 2 0 366.505 3.862 20 0 FHADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000422786474 943283296 /nfs/dbraw/zinc/28/32/96/943283296.db2.gz OXVDRRDIPOTICY-FIKMYACPSA-N 2 0 356.441 3.741 20 0 FHADRP CO[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422795081 943285388 /nfs/dbraw/zinc/28/53/88/943285388.db2.gz ZPTKTPBREHUYED-TYPHKJRUSA-N 2 0 372.896 3.873 20 0 FHADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422766141 943285639 /nfs/dbraw/zinc/28/56/39/943285639.db2.gz LLOWOUHETPDYSW-OFNKIYASSA-N 2 0 364.489 3.821 20 0 FHADRP C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCCCC1)C1C[NH2+]C1 ZINC000422794289 943285656 /nfs/dbraw/zinc/28/56/56/943285656.db2.gz UBMBNLKWKSWNQG-AWEZNQCLSA-N 2 0 351.332 3.849 20 0 FHADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422799301 943287980 /nfs/dbraw/zinc/28/79/80/943287980.db2.gz WBJGIDHIKPCWRP-KQEPKPNTSA-N 2 0 368.924 3.531 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCC(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000422803764 943289253 /nfs/dbraw/zinc/28/92/53/943289253.db2.gz GPEXLQOJMPACDU-QHGAOEGBSA-N 2 0 358.526 3.624 20 0 FHADRP Cc1cccc2c(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c21 ZINC000422791275 943294046 /nfs/dbraw/zinc/29/40/46/943294046.db2.gz VVGNDGXRRRZEQF-REWPJTCUSA-N 2 0 361.489 3.864 20 0 FHADRP CC(C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000417010738 943295723 /nfs/dbraw/zinc/29/57/23/943295723.db2.gz QDVLSWFORPRAKL-SFTDATJTSA-N 2 0 374.573 3.522 20 0 FHADRP CCO[C@H](CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCC1 ZINC000422834121 943299616 /nfs/dbraw/zinc/29/96/16/943299616.db2.gz ZLZHERLDCHEEGQ-SJBKTWHCSA-N 2 0 358.526 3.817 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836861 943300245 /nfs/dbraw/zinc/30/02/45/943300245.db2.gz KSEDREYIRFTFSZ-VNHKHXMHSA-N 2 0 351.538 3.588 20 0 FHADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422839020 943301292 /nfs/dbraw/zinc/30/12/92/943301292.db2.gz PMKDIUODQCEWDC-FCEUIQTBSA-N 2 0 366.530 3.863 20 0 FHADRP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422815405 943302481 /nfs/dbraw/zinc/30/24/81/943302481.db2.gz XQYIHCDAESLUOJ-OKZBNKHCSA-N 2 0 356.432 3.776 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850233 943304743 /nfs/dbraw/zinc/30/47/43/943304743.db2.gz VQMZGJKFPLNYJW-LAUBAEHRSA-N 2 0 366.509 3.734 20 0 FHADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422850232 943305089 /nfs/dbraw/zinc/30/50/89/943305089.db2.gz VQMZGJKFPLNYJW-DYESRHJHSA-N 2 0 366.509 3.734 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000422862618 943309399 /nfs/dbraw/zinc/30/93/99/943309399.db2.gz NTTQKZGJAUXNJZ-ZWKOTPCHSA-N 3 0 366.553 3.931 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422867969 943310871 /nfs/dbraw/zinc/31/08/71/943310871.db2.gz UBFACOUYDBRAJM-ZHHKINOHSA-N 2 0 372.553 3.811 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000422844142 943312130 /nfs/dbraw/zinc/31/21/30/943312130.db2.gz KYFJBPQDARIYLK-VFNWGFHPSA-N 2 0 372.944 3.990 20 0 FHADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422843188 943312328 /nfs/dbraw/zinc/31/23/28/943312328.db2.gz HHTXEYGABRHHDO-LAUBAEHRSA-N 2 0 366.509 3.734 20 0 FHADRP COc1ccccc1C1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422844599 943312992 /nfs/dbraw/zinc/31/29/92/943312992.db2.gz MIHVRYHLBHUSIZ-CVDCTZTESA-N 2 0 364.489 3.572 20 0 FHADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422891673 943313667 /nfs/dbraw/zinc/31/36/67/943313667.db2.gz LKEKZUWCDOXKIO-DNVJHFABSA-N 2 0 366.505 3.512 20 0 FHADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422877241 943313711 /nfs/dbraw/zinc/31/37/11/943313711.db2.gz HMEDQUYWKIPEHG-CXAGYDPISA-N 2 0 357.325 3.759 20 0 FHADRP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422891850 943314221 /nfs/dbraw/zinc/31/42/21/943314221.db2.gz LSGMEKITWFOHHD-NJDAHSKKSA-N 2 0 356.558 3.718 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422879383 943314245 /nfs/dbraw/zinc/31/42/45/943314245.db2.gz KHXGDRODLPHYOA-DFQSSKMNSA-N 2 0 355.551 3.565 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1Br ZINC000422880345 943314856 /nfs/dbraw/zinc/31/48/56/943314856.db2.gz NZKZSYJPOCWJCU-BHYGNILZSA-N 2 0 367.331 3.858 20 0 FHADRP CC(C)COc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422881168 943315274 /nfs/dbraw/zinc/31/52/74/943315274.db2.gz PRVFBFYVWHGTRU-BHDDXSALSA-N 2 0 374.569 3.746 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000422882349 943315604 /nfs/dbraw/zinc/31/56/04/943315604.db2.gz RZYGGIUITZACRU-KSEOMHKRSA-N 2 0 356.554 3.944 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000422882346 943315743 /nfs/dbraw/zinc/31/57/43/943315743.db2.gz RZYGGIUITZACRU-BAGYTPMASA-N 2 0 356.554 3.944 20 0 FHADRP c1ccc(COc2cccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422891674 943316396 /nfs/dbraw/zinc/31/63/96/943316396.db2.gz LKEKZUWCDOXKIO-RJGXRXQPSA-N 2 0 366.505 3.512 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000422883286 943316505 /nfs/dbraw/zinc/31/65/05/943316505.db2.gz UPWVULBJPRCQOY-DLTLXFJOSA-N 2 0 357.325 3.844 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000422882697 943316530 /nfs/dbraw/zinc/31/65/30/943316530.db2.gz SSIJGJQMNZMTJY-SIKLNZKXSA-N 2 0 352.522 3.591 20 0 FHADRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888255 943318321 /nfs/dbraw/zinc/31/83/21/943318321.db2.gz CHKYKZHNKDZSTM-RTWAWAEBSA-N 2 0 353.510 3.642 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C[NH+](C(C)(C)C)CC2 ZINC000425327881 943319947 /nfs/dbraw/zinc/31/99/47/943319947.db2.gz SGDGQMOHYRYVDY-AWEZNQCLSA-N 2 0 364.559 3.503 20 0 FHADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422869437 943320770 /nfs/dbraw/zinc/32/07/70/943320770.db2.gz AAOAUPQLGLDGQP-DENIHFKCSA-N 2 0 352.478 3.739 20 0 FHADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000422901756 943325044 /nfs/dbraw/zinc/32/50/44/943325044.db2.gz CDAKMUOPTXLFQD-NZQKXSOJSA-N 2 0 360.505 3.815 20 0 FHADRP Fc1ccc(C2(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422905142 943325907 /nfs/dbraw/zinc/32/59/07/943325907.db2.gz YQJUHOCOIPOPKA-SIKLNZKXSA-N 2 0 352.453 3.703 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422909894 943327672 /nfs/dbraw/zinc/32/76/72/943327672.db2.gz PIBAJBZALMDSDM-NFBKMPQASA-N 3 0 357.586 3.699 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCC3)cc1 ZINC000422913745 943329702 /nfs/dbraw/zinc/32/97/02/943329702.db2.gz ZHZKDGOOTDJJAG-DOTOQJQBSA-N 2 0 357.523 3.928 20 0 FHADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccccc1Cl ZINC000422921659 943331985 /nfs/dbraw/zinc/33/19/85/943331985.db2.gz ONXZGKWNCAHWAY-FYINFDKHSA-N 2 0 372.896 3.953 20 0 FHADRP COc1ccc(C2([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422933929 943336670 /nfs/dbraw/zinc/33/66/70/943336670.db2.gz IWTBFIFKZLNTLH-PZJWPPBQSA-N 2 0 350.462 3.530 20 0 FHADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000422939277 943338386 /nfs/dbraw/zinc/33/83/86/943338386.db2.gz LSWPLTVAHKRNBF-UGKGYDQZSA-N 2 0 371.569 3.511 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414707258 943342964 /nfs/dbraw/zinc/34/29/64/943342964.db2.gz HLRHGXUWFMKGDP-HKUYNNGSSA-N 2 0 370.541 3.524 20 0 FHADRP CCC(CC)(CNC(=O)N1CC[NH+](C(C)C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000503707299 943347541 /nfs/dbraw/zinc/34/75/41/943347541.db2.gz ICKMKVSQULHJNL-IBGZPJMESA-N 2 0 374.573 3.632 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422958383 943349458 /nfs/dbraw/zinc/34/94/58/943349458.db2.gz XMXHPABUVWZNEG-IXDOHACOSA-N 2 0 368.525 3.631 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)CC[NH2+]CC1 ZINC000422971690 943354500 /nfs/dbraw/zinc/35/45/00/943354500.db2.gz JMSHZAOFXFHGMH-WBVHZDCISA-N 2 0 362.514 3.513 20 0 FHADRP C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000414709478 943354589 /nfs/dbraw/zinc/35/45/89/943354589.db2.gz JZJAROZSANBOKK-MJGOQNOKSA-N 2 0 372.557 3.900 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422972056 943354690 /nfs/dbraw/zinc/35/46/90/943354690.db2.gz KLOZYUFIDXTJEJ-MRXNPFEDSA-N 2 0 362.477 3.674 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000435374771 943355239 /nfs/dbraw/zinc/35/52/39/943355239.db2.gz YFHVRMJBXBQKEZ-AWEZNQCLSA-N 2 0 360.933 3.761 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422975933 943355936 /nfs/dbraw/zinc/35/59/36/943355936.db2.gz CDHAUFKCOPGPGZ-YJBOKZPZSA-N 2 0 366.933 3.572 20 0 FHADRP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000435375903 943357293 /nfs/dbraw/zinc/35/72/93/943357293.db2.gz OTLZRIKBOJLCMX-UHFFFAOYSA-N 2 0 354.494 3.692 20 0 FHADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435377584 943357925 /nfs/dbraw/zinc/35/79/25/943357925.db2.gz DCVXQGOCQXEPGS-YOEHRIQHSA-N 2 0 357.885 3.761 20 0 FHADRP c1ccc([C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCOC2)cc1 ZINC000422986186 943359276 /nfs/dbraw/zinc/35/92/76/943359276.db2.gz GQCPXOAYNXIRKU-WENLIBGGSA-N 2 0 364.489 3.610 20 0 FHADRP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422999478 943360278 /nfs/dbraw/zinc/36/02/78/943360278.db2.gz FGCVIDRBCZSFSD-REWPJTCUSA-N 2 0 366.505 3.818 20 0 FHADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423012192 943364526 /nfs/dbraw/zinc/36/45/26/943364526.db2.gz KGDHFGSVQSNYID-AMHTUMDSSA-N 2 0 366.505 3.719 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccsc1 ZINC000431923792 943364993 /nfs/dbraw/zinc/36/49/93/943364993.db2.gz OADPNQPUSTVZDH-PMACEKPBSA-N 2 0 373.566 3.940 20 0 FHADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000435381700 943369942 /nfs/dbraw/zinc/36/99/42/943369942.db2.gz VITGFUUEAUXWGD-NSISKUIASA-N 2 0 369.896 3.761 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])c2)CC1 ZINC000423026091 943370227 /nfs/dbraw/zinc/37/02/27/943370227.db2.gz NAZSIGACYREDEP-CVDCTZTESA-N 2 0 366.553 3.587 20 0 FHADRP CCCCCn1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)n1 ZINC000423029317 943371097 /nfs/dbraw/zinc/37/10/97/943371097.db2.gz UQYCIELTYOJFQU-IRLDBZIGSA-N 2 0 368.525 3.727 20 0 FHADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423030790 943371569 /nfs/dbraw/zinc/37/15/69/943371569.db2.gz WHQZASZUVFNDNP-VHSXEESVSA-N 2 0 369.225 3.562 20 0 FHADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423043025 943374916 /nfs/dbraw/zinc/37/49/16/943374916.db2.gz NATSFKHRLYMCRJ-HQMSXXKGSA-N 2 0 358.526 3.816 20 0 FHADRP Brc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000423044402 943375817 /nfs/dbraw/zinc/37/58/17/943375817.db2.gz BDTFKKDPBQSFRS-BPQIPLTHSA-N 2 0 362.315 3.941 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3s2)CC[NH2+]CC1 ZINC000423062736 943378861 /nfs/dbraw/zinc/37/88/61/943378861.db2.gz UWBSWHQJLGFDLV-GJZGRUSLSA-N 2 0 360.523 3.873 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cc3cccc(F)c3o2)CC[NH2+]CC1 ZINC000423068463 943380613 /nfs/dbraw/zinc/38/06/13/943380613.db2.gz JXEAWFGRSPQZNJ-UONOGXRCSA-N 2 0 362.445 3.544 20 0 FHADRP FC(F)Oc1ccccc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423073944 943382675 /nfs/dbraw/zinc/38/26/75/943382675.db2.gz SYLNHIPRKQDRCH-UTKZUKDTSA-N 2 0 374.431 3.676 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423051405 943384027 /nfs/dbraw/zinc/38/40/27/943384027.db2.gz OCYZJTXEEKBVPC-LLVKDONJSA-N 2 0 373.298 3.943 20 0 FHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423092167 943391085 /nfs/dbraw/zinc/39/10/85/943391085.db2.gz ATWYVKYJVPMSKZ-QWJIHBKKSA-N 2 0 352.453 3.917 20 0 FHADRP [NH3+][C@@H]1C[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c2ccccc21 ZINC000423091467 943391555 /nfs/dbraw/zinc/39/15/55/943391555.db2.gz ZZCKTXYMKPOYKE-VKYMVXLJSA-N 2 0 353.432 3.526 20 0 FHADRP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423101923 943394610 /nfs/dbraw/zinc/39/46/10/943394610.db2.gz WNSDEFHFORNNKV-AJYGTSELSA-N 2 0 352.453 3.917 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423100956 943394664 /nfs/dbraw/zinc/39/46/64/943394664.db2.gz NDDPLCFLDLSDGQ-CQAXQDJESA-N 2 0 369.336 3.986 20 0 FHADRP C[C@@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Oc1ccc(Cl)cc1 ZINC000423075602 943395337 /nfs/dbraw/zinc/39/53/37/943395337.db2.gz OXVXTSPELZOLJL-DLVCFXQMSA-N 2 0 372.896 3.953 20 0 FHADRP OCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423118836 943396473 /nfs/dbraw/zinc/39/64/73/943396473.db2.gz CJSIBHZARVKSNM-QKNQBKEWSA-N 2 0 372.896 3.609 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423123898 943398585 /nfs/dbraw/zinc/39/85/85/943398585.db2.gz NPSGIVSEIZCIEC-CZUORRHYSA-N 2 0 351.416 3.921 20 0 FHADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(Cl)c1OC ZINC000423125757 943399198 /nfs/dbraw/zinc/39/91/98/943399198.db2.gz ACSDBEMFQVVZHM-IXDOHACOSA-N 2 0 366.933 3.800 20 0 FHADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423106410 943401969 /nfs/dbraw/zinc/40/19/69/943401969.db2.gz ZWFMWDUDJCTACI-RCCFBDPRSA-N 2 0 356.432 3.681 20 0 FHADRP Clc1ccc([C@H]2C[C@H]([NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1Cl ZINC000423106255 943402179 /nfs/dbraw/zinc/40/21/79/943402179.db2.gz RFIWZVJOHOLSDY-DTTOXWODSA-N 2 0 355.309 3.596 20 0 FHADRP C[C@H](N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH2+]1 ZINC000423112151 943405383 /nfs/dbraw/zinc/40/53/83/943405383.db2.gz XFPMFRMUAUWKMV-KUKCLKHKSA-N 2 0 361.961 3.984 20 0 FHADRP Fc1ccc(CC2([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000423154061 943411900 /nfs/dbraw/zinc/41/19/00/943411900.db2.gz IPEWAMDIYNYWHG-UGKGYDQZSA-N 2 0 352.453 3.746 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423139870 943417066 /nfs/dbraw/zinc/41/70/66/943417066.db2.gz WSPRPUNDGJIXMD-UONOGXRCSA-N 2 0 353.445 3.585 20 0 FHADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423158806 943421211 /nfs/dbraw/zinc/42/12/11/943421211.db2.gz DKASLBIQVSYUBN-GNSUPJDDSA-N 2 0 370.468 3.611 20 0 FHADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423158805 943421336 /nfs/dbraw/zinc/42/13/36/943421336.db2.gz DKASLBIQVSYUBN-GJULWVSJSA-N 2 0 370.468 3.611 20 0 FHADRP Clc1ccccc1C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccsc1 ZINC000423176998 943428360 /nfs/dbraw/zinc/42/83/60/943428360.db2.gz DIDJURZKMQQKPD-IBGZPJMESA-N 2 0 363.958 3.570 20 0 FHADRP COc1ccc(C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423243086 943456680 /nfs/dbraw/zinc/45/66/80/943456680.db2.gz GEECDTHWFACFOZ-GCJKJVERSA-N 2 0 354.494 3.577 20 0 FHADRP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254556 943460930 /nfs/dbraw/zinc/46/09/30/943460930.db2.gz YMBCCOKQFUENOF-PXAZEXFGSA-N 2 0 362.315 3.897 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(OCc2nccn2C)cc1 ZINC000423291902 943466072 /nfs/dbraw/zinc/46/60/72/943466072.db2.gz KLQXFOQFYKAIBX-DLBZAZTESA-N 2 0 364.493 3.870 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423304102 943477197 /nfs/dbraw/zinc/47/71/97/943477197.db2.gz JVTGLZWJLZICRH-INIZCTEOSA-N 2 0 359.539 3.752 20 0 FHADRP CC1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC[NH2+]CC1 ZINC000423345722 943477838 /nfs/dbraw/zinc/47/78/38/943477838.db2.gz YWYRSICAVRKEQZ-QGZVFWFLSA-N 2 0 351.332 3.750 20 0 FHADRP C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423339854 943484857 /nfs/dbraw/zinc/48/48/57/943484857.db2.gz BNCCUNNDGWIXID-KSFYIVLOSA-N 2 0 353.510 3.937 20 0 FHADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423350472 943487150 /nfs/dbraw/zinc/48/71/50/943487150.db2.gz XNCMLFFAXJTJKT-MDKPJZGXSA-N 2 0 364.505 3.814 20 0 FHADRP C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423352150 943487823 /nfs/dbraw/zinc/48/78/23/943487823.db2.gz JWNULAOQRHLFEF-AOMKIAJQSA-N 2 0 353.510 3.937 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CCC3)cc1 ZINC000423354275 943488252 /nfs/dbraw/zinc/48/82/52/943488252.db2.gz COUGUQNQYILIII-QBIMZIAESA-N 2 0 357.523 3.784 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccc(OC)cc2)cc1 ZINC000423363306 943491854 /nfs/dbraw/zinc/49/18/54/943491854.db2.gz BTEDBRAKDMQUOT-SSKFGXFMSA-N 2 0 354.494 3.575 20 0 FHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423368636 943493114 /nfs/dbraw/zinc/49/31/14/943493114.db2.gz BGCOUPMJYHCLMN-UTKZUKDTSA-N 2 0 357.542 3.626 20 0 FHADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423367564 943493274 /nfs/dbraw/zinc/49/32/74/943493274.db2.gz CTFCPHIZHZGRGN-OAHLLOKOSA-N 2 0 352.482 3.671 20 0 FHADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000423379998 943496072 /nfs/dbraw/zinc/49/60/72/943496072.db2.gz MMFJPXBOHYKHOH-IAGOWNOFSA-N 2 0 351.494 3.662 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CCC3)cc1 ZINC000423388853 943498686 /nfs/dbraw/zinc/49/86/86/943498686.db2.gz JDJOSEMYCJSUOP-IAOVAPTHSA-N 2 0 357.523 3.784 20 0 FHADRP C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(OCC[NH+](C)C)cc1 ZINC000423419929 943504420 /nfs/dbraw/zinc/50/44/20/943504420.db2.gz WQBXWDUBKKMKST-KRWDZBQOSA-N 2 0 353.510 3.836 20 0 FHADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1I ZINC000423421351 943505294 /nfs/dbraw/zinc/50/52/94/943505294.db2.gz KGUVGEFBNXIYQG-MGPQQGTHSA-N 2 0 372.294 3.707 20 0 FHADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423405701 943508189 /nfs/dbraw/zinc/50/81/89/943508189.db2.gz YIMIGNKAVLOZLU-KRWDZBQOSA-N 2 0 354.450 3.535 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC000423407824 943508643 /nfs/dbraw/zinc/50/86/43/943508643.db2.gz NIYMPQCGLZAMPB-PKOBYXMFSA-N 2 0 350.934 3.972 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccc(OC)cc2)cc1 ZINC000423406128 943508678 /nfs/dbraw/zinc/50/86/78/943508678.db2.gz YOFJTZBFGHNANY-JQVVWYNYSA-N 2 0 354.494 3.847 20 0 FHADRP COCC1(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)CC[NH2+]CC1 ZINC000423412876 943510557 /nfs/dbraw/zinc/51/05/57/943510557.db2.gz XKWNUAYXCHOOCC-XJKSGUPXSA-N 2 0 367.331 3.603 20 0 FHADRP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1-c1cccc(Cl)c1 ZINC000423443078 943512581 /nfs/dbraw/zinc/51/25/81/943512581.db2.gz QFQYCTVRNRCZMD-ORPRQENYSA-N 2 0 358.917 3.873 20 0 FHADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000423426954 943515486 /nfs/dbraw/zinc/51/54/86/943515486.db2.gz PYPMJMVQMNXKKB-YJLNNSPDSA-N 2 0 357.523 3.581 20 0 FHADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423458831 943521491 /nfs/dbraw/zinc/52/14/91/943521491.db2.gz QKMPEVYALBRLFJ-SUMWQHHRSA-N 2 0 355.320 3.634 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000423459300 943522108 /nfs/dbraw/zinc/52/21/08/943522108.db2.gz RAPMFWMTNABYDJ-NXEZZACHSA-N 2 0 364.125 3.990 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000423460874 943522175 /nfs/dbraw/zinc/52/21/75/943522175.db2.gz BPRGZFPKOFQGSY-ZAAXVRCTSA-N 2 0 370.468 3.641 20 0 FHADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423464297 943523285 /nfs/dbraw/zinc/52/32/85/943523285.db2.gz QRLJBXCRTPXAFK-UKOIYDHJSA-N 3 0 353.554 3.535 20 0 FHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423473183 943525747 /nfs/dbraw/zinc/52/57/47/943525747.db2.gz NUEODORAYKPYRJ-VPWXQRGCSA-N 2 0 372.459 3.944 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000423476780 943526372 /nfs/dbraw/zinc/52/63/72/943526372.db2.gz RLCDZFLUKTYQDT-IOASZLSFSA-N 2 0 353.304 3.770 20 0 FHADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474415 943526422 /nfs/dbraw/zinc/52/64/22/943526422.db2.gz OTZTZRLZERQEGD-DJPFJPOOSA-N 2 0 369.484 3.526 20 0 FHADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423480964 943527437 /nfs/dbraw/zinc/52/74/37/943527437.db2.gz NVQGUHQOFKGMPF-HOCLYGCPSA-N 2 0 353.304 3.785 20 0 FHADRP [NH3+]CCC[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccccc1 ZINC000423506843 943531473 /nfs/dbraw/zinc/53/14/73/943531473.db2.gz PNRDVXFTJKHMKE-WRSRUZKNSA-N 2 0 363.505 3.889 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1cccs1 ZINC000417347266 943535040 /nfs/dbraw/zinc/53/50/40/943535040.db2.gz VQNIQDMLTOCEJS-LRGNLBRXSA-N 2 0 370.562 3.987 20 0 FHADRP CC(C)[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc2[nH]c(=O)oc2c1 ZINC000423529956 943538568 /nfs/dbraw/zinc/53/85/68/943538568.db2.gz QTCJDDTZUYNDPT-JGBMDVTCSA-N 2 0 369.509 3.974 20 0 FHADRP CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515888 943542828 /nfs/dbraw/zinc/54/28/28/943542828.db2.gz XNVUTKYUQYPPOI-VGSWGCGISA-N 2 0 355.526 3.540 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423517478 943543246 /nfs/dbraw/zinc/54/32/46/943543246.db2.gz YXEINCAXYZOWQD-SXSPYAJSSA-N 2 0 351.538 3.749 20 0 FHADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423516062 943543381 /nfs/dbraw/zinc/54/33/81/943543381.db2.gz ANPPKSMFXWTTJK-YDMNSXHZSA-N 2 0 372.553 3.939 20 0 FHADRP CCOc1cccc2cc([C@H](C)[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)oc21 ZINC000423519698 943544061 /nfs/dbraw/zinc/54/40/61/943544061.db2.gz QDWYUKFGMXGPJG-IVMQYODDSA-N 2 0 371.525 3.699 20 0 FHADRP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423521098 943544852 /nfs/dbraw/zinc/54/48/52/943544852.db2.gz SDFIBFWSSVKCDJ-HTWSVDAQSA-N 2 0 365.974 3.683 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423522230 943545704 /nfs/dbraw/zinc/54/57/04/943545704.db2.gz UFIBUZBWJKKYSE-VYMRPNJYSA-N 2 0 372.582 3.594 20 0 FHADRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000423557045 943547880 /nfs/dbraw/zinc/54/78/80/943547880.db2.gz ILBDGOZSLXBFNG-NRFANRHFSA-N 2 0 355.501 3.860 20 0 FHADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)c1 ZINC000423545826 943553373 /nfs/dbraw/zinc/55/33/73/943553373.db2.gz PLLJGLCMOFPGFQ-FQOCKNPQSA-N 2 0 350.506 3.957 20 0 FHADRP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000423549088 943554984 /nfs/dbraw/zinc/55/49/84/943554984.db2.gz RSPFLHZMWSTTCX-MMKMLUHNSA-N 2 0 355.913 3.997 20 0 FHADRP Cn1ccnc1C[N@H+](CCCc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693521 943560918 /nfs/dbraw/zinc/56/09/18/943560918.db2.gz MKFOBQQXKJHHBV-LJQANCHMSA-N 2 0 372.944 3.650 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000515204645 943565552 /nfs/dbraw/zinc/56/55/52/943565552.db2.gz JQYPWIVTCHVDCU-RQXXJAGISA-N 2 0 353.510 3.897 20 0 FHADRP COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414756052 943594072 /nfs/dbraw/zinc/59/40/72/943594072.db2.gz QBIINMPUWBKEQH-UYAOXDASSA-N 2 0 353.510 3.523 20 0 FHADRP FC(F)(F)Cc1ncc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000893306271 943602563 /nfs/dbraw/zinc/60/25/63/943602563.db2.gz YMIXNFHIMLIUAV-UHFFFAOYSA-N 2 0 370.444 3.649 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763946 943637720 /nfs/dbraw/zinc/63/77/20/943637720.db2.gz CUXAVZLVZFYWCH-CALCHBBNSA-N 2 0 358.917 3.574 20 0 FHADRP CC(C)[C@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424023436 943690404 /nfs/dbraw/zinc/69/04/04/943690404.db2.gz VXLIEEZRXBSGJI-MEMLXQNLSA-N 2 0 371.569 3.559 20 0 FHADRP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772471 943706283 /nfs/dbraw/zinc/70/62/83/943706283.db2.gz UQXOINCJVYREAH-GASCZTMLSA-N 2 0 353.491 3.988 20 0 FHADRP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000584827563 943717008 /nfs/dbraw/zinc/71/70/08/943717008.db2.gz NXONSNWUUHNEFQ-ICSRJNTNSA-N 2 0 371.550 3.837 20 0 FHADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424130205 943757509 /nfs/dbraw/zinc/75/75/09/943757509.db2.gz HCDGFBSCBKFUCY-QUCCMNQESA-N 2 0 351.579 3.693 20 0 FHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000516859972 943774054 /nfs/dbraw/zinc/77/40/54/943774054.db2.gz UHPMBFMMMVGMPP-PZJWPPBQSA-N 2 0 363.590 3.539 20 0 FHADRP CCOc1cc2[nH+]ccc(NCC3CC[NH+](CC)CC3)c2cc1OCC ZINC000515321288 943799487 /nfs/dbraw/zinc/79/94/87/943799487.db2.gz NZYVUUWRZJTPMC-UHFFFAOYSA-N 2 0 357.498 3.598 20 0 FHADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506050880 943812331 /nfs/dbraw/zinc/81/23/31/943812331.db2.gz FYYKEXPWVVBWLY-INIZCTEOSA-N 2 0 352.469 3.850 20 0 FHADRP Cc1ccc(-c2ncc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)s2)cc1 ZINC000515373799 943818683 /nfs/dbraw/zinc/81/86/83/943818683.db2.gz VLBNIBDNNGFESP-ICSRJNTNSA-N 2 0 371.550 3.837 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OCc3ccccn3)cc1)CC[NH2+]CC2 ZINC000424288600 943820235 /nfs/dbraw/zinc/82/02/35/943820235.db2.gz KTVTXTHGQGCSOG-GOSISDBHSA-N 2 0 351.494 3.625 20 0 FHADRP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000414905346 943823001 /nfs/dbraw/zinc/82/30/01/943823001.db2.gz ONDIULGIDPEUDV-OAQYLSRUSA-N 2 0 371.529 3.940 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424301997 943851257 /nfs/dbraw/zinc/85/12/57/943851257.db2.gz LPADEJQRYWAJEW-MVIBAMFRSA-N 2 0 356.554 3.936 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3[C@H](C)C[N@@H+](Cc4ccccc4)C[C@@H]3C)C[C@H]2C1 ZINC000424301999 943851578 /nfs/dbraw/zinc/85/15/78/943851578.db2.gz LPADEJQRYWAJEW-VRXIAXDYSA-N 2 0 356.554 3.936 20 0 FHADRP CSC1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC[NH+](C)CC1 ZINC000424345193 943874765 /nfs/dbraw/zinc/87/47/65/943874765.db2.gz HUAUGEASKKAUAR-QGZVFWFLSA-N 2 0 361.580 3.844 20 0 FHADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000417829499 943892622 /nfs/dbraw/zinc/89/26/22/943892622.db2.gz RDNOBKCGHVPLIX-NRFANRHFSA-N 2 0 372.557 3.516 20 0 FHADRP COc1cc([C@H](C)[NH2+]CCCN2CCN(c3ccccc3)CC2)ccc1F ZINC000504905581 943903116 /nfs/dbraw/zinc/90/31/16/943903116.db2.gz KOJBFAAOEOCQIL-SFHVURJKSA-N 2 0 371.500 3.697 20 0 FHADRP COC(=O)[C@H](CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000425431995 943908185 /nfs/dbraw/zinc/90/81/85/943908185.db2.gz JKJSRQFFIZSCHT-SLYNCCJLSA-N 2 0 358.526 3.576 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000424438112 943914379 /nfs/dbraw/zinc/91/43/79/943914379.db2.gz OXAOHPGXOPBKJF-INIZCTEOSA-N 2 0 372.538 3.549 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000424429054 943924936 /nfs/dbraw/zinc/92/49/36/943924936.db2.gz VPEXRONMMSXPKZ-OXQOHEQNSA-N 2 0 354.498 3.575 20 0 FHADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424433271 943927479 /nfs/dbraw/zinc/92/74/79/943927479.db2.gz DMOZFSMGFVIEIQ-UHFFFAOYSA-N 2 0 354.498 3.617 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414790317 943938494 /nfs/dbraw/zinc/93/84/94/943938494.db2.gz AAXDVWJUKRBRJX-IPYPFGDCSA-N 2 0 357.420 3.530 20 0 FHADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414794934 943971457 /nfs/dbraw/zinc/97/14/57/943971457.db2.gz GGZXRWIENQELSE-GJZGRUSLSA-N 2 0 360.420 3.634 20 0 FHADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000517089323 944006434 /nfs/dbraw/zinc/00/64/34/944006434.db2.gz PPQSZOGXIHXZFQ-TZIWHRDSSA-N 2 0 363.977 3.983 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000417973419 944027405 /nfs/dbraw/zinc/02/74/05/944027405.db2.gz CKXMJXQAGWVKQA-XPWALMASSA-N 2 0 350.506 3.537 20 0 FHADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500059457 944031463 /nfs/dbraw/zinc/03/14/63/944031463.db2.gz MASHWEUOSHPDKV-GGAORHGYSA-N 2 0 371.569 3.668 20 0 FHADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000414879102 944041733 /nfs/dbraw/zinc/04/17/33/944041733.db2.gz PBGMXPVHSOZXSW-GFCCVEGCSA-N 2 0 366.292 3.930 20 0 FHADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)C[C@H](C)O1 ZINC000437701626 944045007 /nfs/dbraw/zinc/04/50/07/944045007.db2.gz ORZMPAQIQMLZJA-HOTGVXAUSA-N 2 0 359.489 3.628 20 0 FHADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414811389 944094788 /nfs/dbraw/zinc/09/47/88/944094788.db2.gz WBLVONGLOQTMDF-KUHUBIRLSA-N 2 0 353.913 3.551 20 0 FHADRP Fc1cccc2[nH]c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cc21 ZINC000437802814 944128048 /nfs/dbraw/zinc/12/80/48/944128048.db2.gz RWQZDLCSLKZGMZ-UHFFFAOYSA-N 2 0 359.489 3.631 20 0 FHADRP C[C@@H](c1cccs1)N(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637928477 944138402 /nfs/dbraw/zinc/13/84/02/944138402.db2.gz XGWZACKZUNGRPQ-KRWDZBQOSA-N 2 0 371.550 3.651 20 0 FHADRP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC[C@H](C)[NH3+] ZINC000414818100 944139333 /nfs/dbraw/zinc/13/93/33/944139333.db2.gz CSAIDBPTYLRKTO-QWHCGFSZSA-N 2 0 351.288 3.697 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000500133553 944150877 /nfs/dbraw/zinc/15/08/77/944150877.db2.gz QEVIWZZOMODUMZ-RTBURBONSA-N 2 0 374.573 3.591 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436286030 944164695 /nfs/dbraw/zinc/16/46/95/944164695.db2.gz QKYIARMJQGRTMG-NNWRFLSQSA-N 2 0 365.606 3.510 20 0 FHADRP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436316653 944194739 /nfs/dbraw/zinc/19/47/39/944194739.db2.gz SUCFNPPTPRYAMV-UHFFFAOYSA-N 2 0 367.468 3.554 20 0 FHADRP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000425929082 944204917 /nfs/dbraw/zinc/20/49/17/944204917.db2.gz TZBZIRNQVVAEDB-HTAFUYNTSA-N 2 0 372.553 3.986 20 0 FHADRP COCCC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)cc1 ZINC000425935251 944219810 /nfs/dbraw/zinc/21/98/10/944219810.db2.gz HLFIPMSTEUHVEB-WMLDXEAASA-N 2 0 357.336 3.704 20 0 FHADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)c1 ZINC000439001668 944242592 /nfs/dbraw/zinc/24/25/92/944242592.db2.gz PVTNUVGVLNNOSW-INIZCTEOSA-N 2 0 369.509 3.956 20 0 FHADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000437969585 944258978 /nfs/dbraw/zinc/25/89/78/944258978.db2.gz JEVDLPMUTBTYCC-ISKFKSNPSA-N 2 0 369.597 3.846 20 0 FHADRP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437983811 944268239 /nfs/dbraw/zinc/26/82/39/944268239.db2.gz GDQXMOUBOHLKIH-UHFFFAOYSA-N 2 0 367.522 3.882 20 0 FHADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436400014 944277789 /nfs/dbraw/zinc/27/77/89/944277789.db2.gz HJSNWFASGBWDKC-IBGZPJMESA-N 2 0 367.468 3.554 20 0 FHADRP c1ccc(COc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)nc1 ZINC000436469027 944349831 /nfs/dbraw/zinc/34/98/31/944349831.db2.gz QRVNZTRXRAXLAY-UHFFFAOYSA-N 2 0 374.488 3.814 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(Br)cc2c[nH+]cn21 ZINC001167755051 944387414 /nfs/dbraw/zinc/38/74/14/944387414.db2.gz ZJNFKZQFHFBIQT-CYBMUJFWSA-N 2 0 351.292 3.773 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000517564050 944403936 /nfs/dbraw/zinc/40/39/36/944403936.db2.gz WBFNTZZBWPKYFK-OAQYLSRUSA-N 2 0 359.558 3.650 20 0 FHADRP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000426301102 944412584 /nfs/dbraw/zinc/41/25/84/944412584.db2.gz LLSRIXJEMMBNNH-WMZOPIPTSA-N 2 0 358.555 3.704 20 0 FHADRP Fc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCOCC2)c1 ZINC001167978604 944443607 /nfs/dbraw/zinc/44/36/07/944443607.db2.gz PRRJBNLMPONWJG-FRIKZZABSA-N 2 0 372.528 3.912 20 0 FHADRP CC(C)[N@H+](C)CCCNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000311288649 944512783 /nfs/dbraw/zinc/51/27/83/944512783.db2.gz KLYXXOUNIRHUCX-UHFFFAOYSA-N 2 0 361.530 3.804 20 0 FHADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000511657672 944529707 /nfs/dbraw/zinc/52/97/07/944529707.db2.gz RXSOCXYHIVHMRW-UHFFFAOYSA-N 2 0 365.606 3.619 20 0 FHADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCOCC[NH+](C)C)CCC3)cc1 ZINC000516145767 944532960 /nfs/dbraw/zinc/53/29/60/944532960.db2.gz PTIMOEPXQKEXNR-QGZVFWFLSA-N 2 0 359.539 3.664 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414995415 944537224 /nfs/dbraw/zinc/53/72/24/944537224.db2.gz FOZVRQKXNXTCFH-MJGOQNOKSA-N 2 0 360.933 3.809 20 0 FHADRP COCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000894742611 944542773 /nfs/dbraw/zinc/54/27/73/944542773.db2.gz UYURIYSYCWXHEA-HQSKLWIPSA-N 2 0 356.432 3.998 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000296593245 944567644 /nfs/dbraw/zinc/56/76/44/944567644.db2.gz NVCCEHOCIVVZST-QGZVFWFLSA-N 2 0 358.530 3.524 20 0 FHADRP CC1CC[NH+](C[C@H]2CCCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000516201028 944572005 /nfs/dbraw/zinc/57/20/05/944572005.db2.gz PYXNWDOWVDYTKX-DHIUTWEWSA-N 2 0 355.570 3.705 20 0 FHADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CC2 ZINC000414998200 944620957 /nfs/dbraw/zinc/62/09/57/944620957.db2.gz IBTGMLFCWKCECU-XKCSPQBFSA-N 2 0 368.496 3.675 20 0 FHADRP c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[NH+]2CCCC2)cc1 ZINC001167964561 944625028 /nfs/dbraw/zinc/62/50/28/944625028.db2.gz SOIJCLXNAUVWRC-WVUPVLJSSA-N 2 0 353.554 3.819 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414999054 944642536 /nfs/dbraw/zinc/64/25/36/944642536.db2.gz IOVVTEXMFIZNFB-HZSPNIEDSA-N 2 0 357.420 3.530 20 0 FHADRP CCC1(CC)CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438501501 944699362 /nfs/dbraw/zinc/69/93/62/944699362.db2.gz TXNQLCHKXBZTCL-LJQANCHMSA-N 2 0 371.569 3.668 20 0 FHADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000506611080 944741720 /nfs/dbraw/zinc/74/17/20/944741720.db2.gz KJKJGABBXARUOU-UHFFFAOYSA-N 2 0 353.510 3.973 20 0 FHADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000415000665 944744951 /nfs/dbraw/zinc/74/49/51/944744951.db2.gz KJNPWUVUIGWMPC-QFBILLFUSA-N 2 0 354.494 3.978 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CCC(F)(F)F ZINC000426058589 944765128 /nfs/dbraw/zinc/76/51/28/944765128.db2.gz MFEILWMIQVWJDV-SJLPKXTDSA-N 2 0 363.512 3.893 20 0 FHADRP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000415002271 944780034 /nfs/dbraw/zinc/78/00/34/944780034.db2.gz LVCCUJGLBCREET-LPHOPBHVSA-N 2 0 367.493 3.555 20 0 FHADRP COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093593051 944795121 /nfs/dbraw/zinc/79/51/21/944795121.db2.gz FEPMZOFNAKVSEX-LJQANCHMSA-N 2 0 354.494 3.625 20 0 FHADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438566924 944801011 /nfs/dbraw/zinc/80/10/11/944801011.db2.gz ACXOGVPTFNKXOV-QFIPXVFZSA-N 2 0 369.553 3.696 20 0 FHADRP CCN(CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)CCC(F)(F)F ZINC000426066451 944802235 /nfs/dbraw/zinc/80/22/35/944802235.db2.gz JXVVBMSDFDSUBU-SJLPKXTDSA-N 2 0 363.512 3.893 20 0 FHADRP CCC[C@H](NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)OCC ZINC000439604424 944804106 /nfs/dbraw/zinc/80/41/06/944804106.db2.gz QJGZBRPWHFCDED-IBGZPJMESA-N 2 0 366.933 3.873 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506946643 944805354 /nfs/dbraw/zinc/80/53/54/944805354.db2.gz RNPWOYNASHBZAB-UHFFFAOYSA-N 2 0 362.468 3.541 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000500416876 944841922 /nfs/dbraw/zinc/84/19/22/944841922.db2.gz PTJQIGPBZUZAAY-QGZVFWFLSA-N 2 0 351.485 3.744 20 0 FHADRP c1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC2CCOCC2)cc1 ZINC000517948694 944862647 /nfs/dbraw/zinc/86/26/47/944862647.db2.gz ZJXGDIHNUTXJHQ-UHFFFAOYSA-N 2 0 350.506 3.761 20 0 FHADRP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)C1 ZINC000518884745 944904050 /nfs/dbraw/zinc/90/40/50/944904050.db2.gz MNICIHSKXDDHMB-LPHOPBHVSA-N 2 0 365.949 3.571 20 0 FHADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000516472816 944905683 /nfs/dbraw/zinc/90/56/83/944905683.db2.gz JTDRVFZBMSFHIL-UHFFFAOYSA-N 2 0 365.521 3.933 20 0 FHADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638530176 944930537 /nfs/dbraw/zinc/93/05/37/944930537.db2.gz IDGRMFYWHRNOAH-UHFFFAOYSA-N 2 0 358.917 3.742 20 0 FHADRP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414943141 944936235 /nfs/dbraw/zinc/93/62/35/944936235.db2.gz NKTRVABFSDWOPE-XMSQKQJNSA-N 2 0 360.505 3.935 20 0 FHADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000518028636 944948905 /nfs/dbraw/zinc/94/89/05/944948905.db2.gz RDIJENOBLAMLMW-SJBKTWHCSA-N 2 0 371.569 3.525 20 0 FHADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000414895963 944954301 /nfs/dbraw/zinc/95/43/01/944954301.db2.gz ACXWDTBXANOJOC-UHFFFAOYSA-N 2 0 372.484 3.893 20 0 FHADRP COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)ccc1OCC(F)(F)F ZINC000506342782 944981226 /nfs/dbraw/zinc/98/12/26/944981226.db2.gz OWAHOJVIIQHCTA-UHFFFAOYSA-N 2 0 374.447 3.941 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)o1 ZINC000414946418 944999950 /nfs/dbraw/zinc/99/99/50/944999950.db2.gz TZKASYLNPWYJGR-DNVCBOLYSA-N 2 0 350.466 3.528 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000414946986 945003911 /nfs/dbraw/zinc/00/39/11/945003911.db2.gz KEUBIKIXSWMWGN-MAUKXSAKSA-N 2 0 350.466 3.671 20 0 FHADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[NH2+]1 ZINC000414949515 945008102 /nfs/dbraw/zinc/00/81/02/945008102.db2.gz NNMHPWGXTBDRJX-XMSQKQJNSA-N 2 0 360.505 3.829 20 0 FHADRP C[C@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC[NH2+]1 ZINC000414949513 945008554 /nfs/dbraw/zinc/00/85/54/945008554.db2.gz NNMHPWGXTBDRJX-PGRDOPGGSA-N 2 0 360.505 3.829 20 0 FHADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H](N4CCCC4=O)C3)CC2)C1 ZINC000519001203 945015310 /nfs/dbraw/zinc/01/53/10/945015310.db2.gz SZLWCYYAONPDCQ-AYWYSENESA-N 2 0 361.574 3.553 20 0 FHADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc4N(C)C3)CC2)C1 ZINC000437097262 945016489 /nfs/dbraw/zinc/01/64/89/945016489.db2.gz PDJJNWKJZDTZNU-XQBPLPMBSA-N 2 0 355.570 3.928 20 0 FHADRP CC(C)(C)OC(=O)NCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961750 945047959 /nfs/dbraw/zinc/04/79/59/945047959.db2.gz PKAJAPIOJPKXGV-YQQQUEKLSA-N 2 0 365.562 3.676 20 0 FHADRP C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000440276889 945370228 /nfs/dbraw/zinc/37/02/28/945370228.db2.gz ODUWOBPAKWEREP-UGKGYDQZSA-N 2 0 369.553 3.516 20 0 FHADRP CCOC(=O)CC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167986627 945416071 /nfs/dbraw/zinc/41/60/71/945416071.db2.gz HLLPLEDBWNLFOO-CBQGHPETSA-N 2 0 370.537 3.847 20 0 FHADRP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000415059538 945514764 /nfs/dbraw/zinc/51/47/64/945514764.db2.gz XCXLVRJUPKTAIZ-HOTGVXAUSA-N 2 0 354.441 3.651 20 0 FHADRP COc1cc(OC)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000651669745 945580216 /nfs/dbraw/zinc/58/02/16/945580216.db2.gz GWVAYGQBBSUNMD-UHFFFAOYSA-N 2 0 358.457 3.729 20 0 FHADRP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000519656570 945605746 /nfs/dbraw/zinc/60/57/46/945605746.db2.gz SEZHHINOQGXBIG-LJQANCHMSA-N 2 0 366.933 3.719 20 0 FHADRP COc1cc(F)c(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000651691764 945701780 /nfs/dbraw/zinc/70/17/80/945701780.db2.gz GWHUNPOPNSTETN-SFHVURJKSA-N 2 0 372.484 3.845 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000519767749 945726201 /nfs/dbraw/zinc/72/62/01/945726201.db2.gz IODGWZHYZXTKMG-UWJYYQICSA-N 2 0 361.599 3.649 20 0 FHADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651706220 945728971 /nfs/dbraw/zinc/72/89/71/945728971.db2.gz XAGUYDHBHLUWJG-LJQANCHMSA-N 2 0 366.553 3.673 20 0 FHADRP Clc1cccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167974299 945958812 /nfs/dbraw/zinc/95/88/12/945958812.db2.gz VBHIELGPMNTZSS-MJLAPFRSSA-N 2 0 373.972 3.909 20 0 FHADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000188124496 945982041 /nfs/dbraw/zinc/98/20/41/945982041.db2.gz MGNFKMDSOLWORW-SJLPKXTDSA-N 2 0 352.544 3.569 20 0 FHADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(I)cc1 ZINC000594508466 946068985 /nfs/dbraw/zinc/06/89/85/946068985.db2.gz BZBIDVAKKLDQAN-UHOFOFEASA-N 2 0 372.294 3.672 20 0 FHADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)[C@@H](C)C1 ZINC000594523201 946076127 /nfs/dbraw/zinc/07/61/27/946076127.db2.gz WXZMSDRLZLTIDY-TXTZMMAHSA-N 2 0 352.563 3.699 20 0 FHADRP CC(C)Oc1ccccc1C[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000520207807 946268194 /nfs/dbraw/zinc/26/81/94/946268194.db2.gz LEFCWMAGSBIMPW-UHFFFAOYSA-N 2 0 367.537 3.776 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCc1cccc2ccccc21 ZINC000441200127 946300816 /nfs/dbraw/zinc/30/08/16/946300816.db2.gz OCADWBLYQNQVTK-PUHATCMVSA-N 2 0 352.522 3.956 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000893468788 946307385 /nfs/dbraw/zinc/30/73/85/946307385.db2.gz QETBAPNTANLYDR-UHFFFAOYSA-N 2 0 353.532 3.917 20 0 FHADRP CCOc1cc2[nH+]ccc(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2cc1OCC ZINC000302752165 946310222 /nfs/dbraw/zinc/31/02/22/946310222.db2.gz UVEPHRFFUJBWCL-VQIMIIECSA-N 2 0 369.509 3.953 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C(C)C ZINC000441221387 946311378 /nfs/dbraw/zinc/31/13/78/946311378.db2.gz ACWWHADSMXPMMN-YUXAGFNASA-N 2 0 360.542 3.681 20 0 FHADRP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1OCC(F)(F)F ZINC000475129251 946434827 /nfs/dbraw/zinc/43/48/27/946434827.db2.gz PYNJKNVLACFSEX-UHFFFAOYSA-N 2 0 372.431 3.697 20 0 FHADRP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC34CC[NH+](C)CC4)o2)cc1 ZINC000475124624 946445332 /nfs/dbraw/zinc/44/53/32/946445332.db2.gz JUCKMLZUBWARPI-UHFFFAOYSA-N 2 0 368.477 3.793 20 0 FHADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652193375 946454069 /nfs/dbraw/zinc/45/40/69/946454069.db2.gz GYFSXXKMZQJQTC-GOSISDBHSA-N 2 0 362.514 3.628 20 0 FHADRP CCOc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1OC(F)F ZINC000475139375 946460412 /nfs/dbraw/zinc/46/04/12/946460412.db2.gz XOQQFJXKCXNBSU-UHFFFAOYSA-N 2 0 354.441 3.747 20 0 FHADRP C[C@@H]1CCC[C@](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)([NH+](C)C)C1 ZINC000520368262 946466821 /nfs/dbraw/zinc/46/68/21/946466821.db2.gz AEXOWNIUQIEFAC-GCJKJVERSA-N 2 0 357.542 3.523 20 0 FHADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000840884941 946492742 /nfs/dbraw/zinc/49/27/42/946492742.db2.gz RRFXLPIIGBKGKP-SFHVURJKSA-N 2 0 356.485 3.812 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1(C)C ZINC000441372020 946525499 /nfs/dbraw/zinc/52/54/99/946525499.db2.gz WEWRKQBOHUHTOM-UHFFFAOYSA-N 2 0 361.917 3.716 20 0 FHADRP C[NH+](C)C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCCCCC1 ZINC000520391740 946536248 /nfs/dbraw/zinc/53/62/48/946536248.db2.gz MUIRELUICPSUHT-UHFFFAOYSA-N 2 0 366.594 3.596 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1)C(C)C ZINC000262440443 946585248 /nfs/dbraw/zinc/58/52/48/946585248.db2.gz HMKZQUZQCFSNMY-UHFFFAOYSA-N 2 0 367.537 3.908 20 0 FHADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475546651 946617082 /nfs/dbraw/zinc/61/70/82/946617082.db2.gz HOTNEEWZTJBDTN-NNGSBXSVSA-N 2 0 351.332 3.987 20 0 FHADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000661775510 946619115 /nfs/dbraw/zinc/61/91/15/946619115.db2.gz TUMNRSUOEGVJDA-GOTSBHOMSA-N 2 0 366.553 3.907 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000475554377 946638617 /nfs/dbraw/zinc/63/86/17/946638617.db2.gz ISWSDDBJRFROIW-FAEJEUNOSA-N 2 0 363.933 3.972 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)[C@H](C)C1 ZINC000652309169 946692452 /nfs/dbraw/zinc/69/24/52/946692452.db2.gz HVXSQEKHZLGBKD-RYFAJOAYSA-N 2 0 360.542 3.633 20 0 FHADRP COC(=O)CC[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059781 946746218 /nfs/dbraw/zinc/74/62/18/946746218.db2.gz HDZOZIKXXODVNW-KOUHRCEDSA-N 2 0 358.526 3.703 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000475284937 946823935 /nfs/dbraw/zinc/82/39/35/946823935.db2.gz KTMSXHYHCJRXAK-WBVHZDCISA-N 2 0 355.448 3.601 20 0 FHADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475287418 946824547 /nfs/dbraw/zinc/82/45/47/946824547.db2.gz OJADNISDQUYALF-QUCCMNQESA-N 2 0 362.521 3.996 20 0 FHADRP CCNC(=O)OC1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168060761 946824966 /nfs/dbraw/zinc/82/49/66/946824966.db2.gz YAFJFIUWXHWURN-ROUUACIJSA-N 2 0 373.541 3.639 20 0 FHADRP Cc1cc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C(C)C ZINC000652345618 946871952 /nfs/dbraw/zinc/87/19/52/946871952.db2.gz GUPZGUSDWGSSPU-JQVVWYNYSA-N 2 0 360.542 3.716 20 0 FHADRP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347798 946878489 /nfs/dbraw/zinc/87/84/89/946878489.db2.gz MHPXRUOJRNZUJW-LDDOYCOJSA-N 2 0 367.331 3.728 20 0 FHADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000652350357 946895297 /nfs/dbraw/zinc/89/52/97/946895297.db2.gz UMPZDEBXEFFIRW-SQGPQFPESA-N 2 0 366.933 3.846 20 0 FHADRP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350448 946895420 /nfs/dbraw/zinc/89/54/20/946895420.db2.gz ZKZKKCSTUSRRJX-KCMWZYNZSA-N 2 0 367.331 3.728 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1CC[NH3+] ZINC000652353720 946904284 /nfs/dbraw/zinc/90/42/84/946904284.db2.gz AQDAMXXMPVGQIR-LAUBAEHRSA-N 2 0 351.494 3.888 20 0 FHADRP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)cc1F ZINC000652354142 946912909 /nfs/dbraw/zinc/91/29/09/946912909.db2.gz NWAOGOYLBVFREM-YJBOKZPZSA-N 2 0 360.477 3.566 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCOc2cccc3ccccc32)C1 ZINC000652362407 946930694 /nfs/dbraw/zinc/93/06/94/946930694.db2.gz GNBQKJOHCIGWBB-KJXAQDMKSA-N 2 0 368.521 3.970 20 0 FHADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824955302 947005634 /nfs/dbraw/zinc/00/56/34/947005634.db2.gz NWTIDLOVVYNFQS-DZIBYMRMSA-N 2 0 368.529 3.560 20 0 FHADRP C[C@@H]1C[C@@H](N2CC[NH+](C)CC23CCCC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064007 947029984 /nfs/dbraw/zinc/02/99/84/947029984.db2.gz GUSPQQNDGWPTDD-VTYHHJSWSA-N 2 0 355.570 3.988 20 0 FHADRP COC(=O)[C@]1(C)CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065467 947113406 /nfs/dbraw/zinc/11/34/06/947113406.db2.gz WOXWWGIFOVNMRP-JBYIUTFZSA-N 2 0 358.526 3.703 20 0 FHADRP Cc1cc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(C)n1 ZINC000301268360 947260900 /nfs/dbraw/zinc/26/09/00/947260900.db2.gz ITFBOIARUMZYHM-INIZCTEOSA-N 2 0 350.388 3.799 20 0 FHADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1O ZINC000248517293 947294710 /nfs/dbraw/zinc/29/47/10/947294710.db2.gz PIBNFBCPFYFDSC-KXBFYZLASA-N 2 0 374.912 3.853 20 0 FHADRP CC[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000662108781 947299742 /nfs/dbraw/zinc/29/97/42/947299742.db2.gz QFTIBCLDPLSDLA-NRFANRHFSA-N 2 0 357.542 3.591 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)[C@@H](C)C1 ZINC000249612821 947330750 /nfs/dbraw/zinc/33/07/50/947330750.db2.gz SIRVJQSGVHFBRS-YYWHXJBOSA-N 2 0 360.542 3.799 20 0 FHADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000909612403 947343865 /nfs/dbraw/zinc/34/38/65/947343865.db2.gz LQYGDRZGKKJUIK-UHFFFAOYSA-N 2 0 365.521 3.907 20 0 FHADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000662146868 947369676 /nfs/dbraw/zinc/36/96/76/947369676.db2.gz CCQFBHSWZMHWNC-QGZVFWFLSA-N 2 0 371.352 3.847 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000523593995 947421984 /nfs/dbraw/zinc/42/19/84/947421984.db2.gz VFVQSFVOEBDQNN-LJQANCHMSA-N 2 0 374.573 3.592 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccccc21 ZINC000523703109 947528867 /nfs/dbraw/zinc/52/88/67/947528867.db2.gz OGJGLUPXRMKWBN-LJQANCHMSA-N 2 0 368.525 3.720 20 0 FHADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000523853911 947655644 /nfs/dbraw/zinc/65/56/44/947655644.db2.gz ZSGGFGURPPMNHG-LJQANCHMSA-N 2 0 369.484 3.738 20 0 FHADRP COc1cc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)ccc1OC(F)F ZINC000662248877 947671621 /nfs/dbraw/zinc/67/16/21/947671621.db2.gz DNEGAVRINVOBPR-UHFFFAOYSA-N 2 0 362.420 3.574 20 0 FHADRP O=C(CC[NH+]1CCC(c2ncc3n2CCCC3)CC1)Nc1ccc(F)cc1 ZINC000278862192 947694482 /nfs/dbraw/zinc/69/44/82/947694482.db2.gz LICTWTZUWOXLOU-UHFFFAOYSA-N 2 0 370.472 3.567 20 0 FHADRP CCc1csc(CC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000662283330 947702227 /nfs/dbraw/zinc/70/22/27/947702227.db2.gz HZYDVJGYTKCYBU-UHFFFAOYSA-N 2 0 355.551 3.806 20 0 FHADRP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1F ZINC000662291040 947712652 /nfs/dbraw/zinc/71/26/52/947712652.db2.gz NNLIUIMKXIZSNI-CRAIPNDOSA-N 2 0 372.488 3.957 20 0 FHADRP COc1ccc(-c2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)on2)cc1 ZINC000662293746 947715959 /nfs/dbraw/zinc/71/59/59/947715959.db2.gz MZSLRIUQYVRSRA-SFHVURJKSA-N 2 0 355.482 3.562 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C(C)C)c3)cn2)CC1 ZINC000663315560 947729322 /nfs/dbraw/zinc/72/93/22/947729322.db2.gz YKSOBICDRVHNKA-UHFFFAOYSA-N 2 0 352.526 3.637 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)c1ccccc1Cl ZINC000662344427 947756747 /nfs/dbraw/zinc/75/67/47/947756747.db2.gz BCZYPCYLHIILCQ-HXUWFJFHSA-N 2 0 371.912 3.756 20 0 FHADRP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1C ZINC000662327495 947759709 /nfs/dbraw/zinc/75/97/09/947759709.db2.gz PLHXFANGCQODNT-UHFFFAOYSA-N 2 0 352.526 3.873 20 0 FHADRP Fc1cccc(CCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327497 947760119 /nfs/dbraw/zinc/76/01/19/947760119.db2.gz POIWXJKWLOAWLQ-UHFFFAOYSA-N 2 0 370.516 3.828 20 0 FHADRP c1c(C2CC[NH+](CCCc3ccccc3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662328942 947760242 /nfs/dbraw/zinc/76/02/42/947760242.db2.gz XCWTXEPVQXUXRM-UHFFFAOYSA-N 2 0 352.526 3.689 20 0 FHADRP c1ccc(C[N@H+]2CC[C@@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806732 /nfs/dbraw/zinc/80/67/32/947806732.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 2 0 367.581 3.895 20 0 FHADRP CCN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000662503454 947873306 /nfs/dbraw/zinc/87/33/06/947873306.db2.gz UISGBFOBUSEULT-XLIONFOSSA-N 2 0 363.505 3.587 20 0 FHADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000662525963 947888562 /nfs/dbraw/zinc/88/85/62/947888562.db2.gz NEQOCAYSSIFHFC-VXKWHMMOSA-N 2 0 363.505 3.564 20 0 FHADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@H](C)O1 ZINC000246965268 947950428 /nfs/dbraw/zinc/95/04/28/947950428.db2.gz JCHHMQVPDSAIPX-DAYGRLMNSA-N 2 0 352.519 3.842 20 0 FHADRP C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000663467979 948054772 /nfs/dbraw/zinc/05/47/72/948054772.db2.gz JMTRFEYBLAGIEU-WWPVKYPJSA-N 2 0 355.570 3.609 20 0 FHADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000663467340 948055447 /nfs/dbraw/zinc/05/54/47/948055447.db2.gz DYMNARWPHQKAQB-JXFKEZNVSA-N 2 0 357.498 3.942 20 0 FHADRP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000663473285 948071504 /nfs/dbraw/zinc/07/15/04/948071504.db2.gz GSWPGBLPTLRLBL-AWEZNQCLSA-N 2 0 367.415 3.892 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001167822826 948093641 /nfs/dbraw/zinc/09/36/41/948093641.db2.gz ADUODCSIDINMEK-XRXFAXGQSA-N 2 0 354.579 3.791 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001167823895 948102906 /nfs/dbraw/zinc/10/29/06/948102906.db2.gz FTNMITVREVSBLO-REWPJTCUSA-N 2 0 371.569 3.934 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001167824186 948107984 /nfs/dbraw/zinc/10/79/84/948107984.db2.gz GEGRDESKJCSTHV-FPOVZHCZSA-N 2 0 371.569 3.635 20 0 FHADRP Cn1cc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)c(-c2ccccc2)n1 ZINC000093056004 948134086 /nfs/dbraw/zinc/13/40/86/948134086.db2.gz ZWKWQQWJBBOZRX-UHFFFAOYSA-N 2 0 357.461 3.622 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167827818 948159703 /nfs/dbraw/zinc/15/97/03/948159703.db2.gz XUFVDZSUQNQSFT-QZTJIDSGSA-N 2 0 355.567 3.686 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001167827821 948159962 /nfs/dbraw/zinc/15/99/62/948159962.db2.gz XUNQLQBCYZJPRV-GOSISDBHSA-N 2 0 351.966 3.968 20 0 FHADRP CCOC(=O)CN(Cc1ccc(OC)cc1)[C@@H](C)CCC[NH+](CC)CC ZINC001167827836 948160038 /nfs/dbraw/zinc/16/00/38/948160038.db2.gz YEATZWJBXPIEHX-SFHVURJKSA-N 2 0 364.530 3.571 20 0 FHADRP Cc1cccnc1O[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002123 948216311 /nfs/dbraw/zinc/21/63/11/948216311.db2.gz MYPACZBPKRHGOK-JGUMPVPUSA-N 2 0 355.526 3.639 20 0 FHADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)CCCO1 ZINC000432361410 948217588 /nfs/dbraw/zinc/21/75/88/948217588.db2.gz XXLLKPORBAYJBF-FQEVSTJZSA-N 2 0 368.521 3.856 20 0 FHADRP Cc1ccnc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001168002394 948233845 /nfs/dbraw/zinc/23/38/45/948233845.db2.gz QUDFOFVQURDXQS-JGUMPVPUSA-N 2 0 355.526 3.639 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001167834772 948269560 /nfs/dbraw/zinc/26/95/60/948269560.db2.gz MURMWGCPMHQOQD-QZTJIDSGSA-N 2 0 363.521 3.530 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001167836761 948307774 /nfs/dbraw/zinc/30/77/74/948307774.db2.gz GUPACGCKTFHUNX-SFHVURJKSA-N 2 0 367.578 3.972 20 0 FHADRP c1ccc(C[N@H+]2Cc3ccc(NCC[NH+]4CCSCC4)cc3C2)cc1 ZINC001167839310 948314413 /nfs/dbraw/zinc/31/44/13/948314413.db2.gz KZSFDYWEFXPNDF-UHFFFAOYSA-N 2 0 353.535 3.663 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001167841603 948363643 /nfs/dbraw/zinc/36/36/43/948363643.db2.gz MWZHOUNCCMGYKJ-ROUUACIJSA-N 2 0 355.567 3.828 20 0 FHADRP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000432414217 948367328 /nfs/dbraw/zinc/36/73/28/948367328.db2.gz JWBSKYANUOGHCC-YJBOKZPZSA-N 2 0 369.347 3.991 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167842485 948386098 /nfs/dbraw/zinc/38/60/98/948386098.db2.gz XYZUULAUCVITCR-SQNIBIBYSA-N 2 0 355.567 3.827 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001167842410 948388089 /nfs/dbraw/zinc/38/80/89/948388089.db2.gz WYICSCVBDRJIFE-RBBKRZOGSA-N 2 0 361.574 3.502 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001167842891 948396842 /nfs/dbraw/zinc/39/68/42/948396842.db2.gz ZOWWKFLRYFFTIZ-JTSKRJEESA-N 2 0 358.526 3.838 20 0 FHADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cc(C)ccc1C ZINC000152374848 948425150 /nfs/dbraw/zinc/42/51/50/948425150.db2.gz YRFSCSKDHLRIMY-HKUYNNGSSA-N 2 0 352.526 3.932 20 0 FHADRP C[C@H]1CN(CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CCCO1 ZINC000432441093 948434046 /nfs/dbraw/zinc/43/40/46/948434046.db2.gz JONUQWJOUWUXER-KBXCAEBGSA-N 2 0 372.431 3.663 20 0 FHADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CCCO1 ZINC000432450126 948455046 /nfs/dbraw/zinc/45/50/46/948455046.db2.gz WHVIJQOHBAKGRJ-XMSQKQJNSA-N 2 0 372.553 3.870 20 0 FHADRP C[C@@H]1CC([NH2+][C@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@](O)(C3)C4)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005703 948520584 /nfs/dbraw/zinc/52/05/84/948520584.db2.gz KDAOHRDZJJKSKL-YZZGVKSUSA-N 2 0 368.565 3.957 20 0 FHADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663693892 948650060 /nfs/dbraw/zinc/65/00/60/948650060.db2.gz BMFBESWEDWJTKF-HKUYNNGSSA-N 2 0 369.484 3.655 20 0 FHADRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000512179079 948661766 /nfs/dbraw/zinc/66/17/66/948661766.db2.gz LIABFROILPNIHS-HZPDHXFCSA-N 2 0 366.933 3.670 20 0 FHADRP COc1ccccc1/C=C\C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512187387 948738186 /nfs/dbraw/zinc/73/81/86/948738186.db2.gz QEGILXJCQOMDEQ-CIVUBALASA-N 2 0 358.526 3.530 20 0 FHADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(Br)cc2F)C[C@@H](C)O1 ZINC000067452855 948791883 /nfs/dbraw/zinc/79/18/83/948791883.db2.gz BRGGIQFONYKAGP-ZIAGYGMSSA-N 2 0 373.310 3.567 20 0 FHADRP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000188584591 567972263 /nfs/dbraw/zinc/97/22/63/567972263.db2.gz JODIPQLDIHULCH-IBGZPJMESA-N 2 0 374.573 3.544 20 0 FHADRP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000069654370 568096940 /nfs/dbraw/zinc/09/69/40/568096940.db2.gz YFJFVWRIPGTGFC-UHFFFAOYSA-N 2 0 372.557 3.663 20 0 FHADRP CC1(C)C[NH+](Cc2cccc(C[N@@H+]3CCCOC(C)(C)C3)c2)CCCO1 ZINC000605000029 568513252 /nfs/dbraw/zinc/51/32/52/568513252.db2.gz HUCADEZDIOKGKO-UHFFFAOYSA-N 2 0 360.542 3.688 20 0 FHADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820698327 607086688 /nfs/dbraw/zinc/08/66/88/607086688.db2.gz STYYCMOLWTZXMN-JXXFODFXSA-N 2 0 368.529 3.560 20 0 FHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc1 ZINC001164620026 719124879 /nfs/dbraw/zinc/12/48/79/719124879.db2.gz GMVJDAWMUOXJSO-GUDVDZBRSA-N 2 0 360.521 3.532 20 0 FHADRP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N)cc[nH+]4)CC3)CC2)cc1 ZINC001164765952 721041549 /nfs/dbraw/zinc/04/15/49/721041549.db2.gz PUIIEKXUKDGNGQ-UHFFFAOYSA-N 2 0 350.510 3.855 20 0 FHADRP Cc1cc(C)[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792090 721490062 /nfs/dbraw/zinc/49/00/62/721490062.db2.gz GHXJVJMDEXVXNC-UHFFFAOYSA-N 2 0 350.510 3.974 20 0 FHADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@@H]21 ZINC001165026580 721802129 /nfs/dbraw/zinc/80/21/29/721802129.db2.gz RHLZPJDUZKBEGD-LKUPVBHCSA-N 2 0 361.493 3.695 20 0 FHADRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000583075857 937097827 /nfs/dbraw/zinc/09/78/27/937097827.db2.gz DYHRBLDNZBUDPQ-RBUKOAKNSA-N 2 0 363.509 3.829 20 0 FHADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cncc(C)c2)cc1OC ZINC000274638431 927299196 /nfs/dbraw/zinc/29/91/96/927299196.db2.gz SUMPIXGQDHBNQA-SFHVURJKSA-N 2 0 371.525 3.970 20 0 FHADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000579776677 927387465 /nfs/dbraw/zinc/38/74/65/927387465.db2.gz ZJCVRQPSJJUHIT-FQEVSTJZSA-N 2 0 352.526 3.653 20 0 FHADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000510083451 927937215 /nfs/dbraw/zinc/93/72/15/927937215.db2.gz UKZBLGIBRWEUTC-SFTDATJTSA-N 2 0 371.569 3.668 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000544837268 927982704 /nfs/dbraw/zinc/98/27/04/927982704.db2.gz MGIJHAKLYYMCJF-NRFANRHFSA-N 2 0 359.558 3.658 20 0 FHADRP CC[NH+]1CCC(C[N@@H+]2Cc3ccc(Br)cc3C[C@H]2C)CC1 ZINC001208603400 928226414 /nfs/dbraw/zinc/22/64/14/928226414.db2.gz CRTBHDZURDVWOR-CQSZACIVSA-N 2 0 351.332 3.928 20 0 FHADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000119614961 928689973 /nfs/dbraw/zinc/68/99/73/928689973.db2.gz NXSMNHFMENIGTC-ACIOBRDBSA-N 2 0 355.570 3.751 20 0 FHADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000533447273 928905298 /nfs/dbraw/zinc/90/52/98/928905298.db2.gz BENXUQJRKZGRLW-IEBWSBKVSA-N 2 0 353.510 3.973 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000274961514 929080214 /nfs/dbraw/zinc/08/02/14/929080214.db2.gz GTGVZFCYDWBBLB-UHFFFAOYSA-N 2 0 362.876 3.726 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000154898194 929471614 /nfs/dbraw/zinc/47/16/14/929471614.db2.gz KFSXUCYGPAQXDJ-IAGOWNOFSA-N 2 0 372.582 3.713 20 0 FHADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000154898085 929472257 /nfs/dbraw/zinc/47/22/57/929472257.db2.gz KFSXUCYGPAQXDJ-IRXDYDNUSA-N 2 0 372.582 3.713 20 0 FHADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000180440856 929511880 /nfs/dbraw/zinc/51/18/80/929511880.db2.gz VLXYEMYVKVIYPM-XUZZJYLKSA-N 2 0 365.565 3.948 20 0 FHADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCC(O)CC3)cc1)[C@H](C)C2 ZINC000180472251 929519598 /nfs/dbraw/zinc/51/95/98/929519598.db2.gz HUYPZMIQRUINHM-KOSHJBKYSA-N 2 0 364.533 3.975 20 0 FHADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000547763975 929580642 /nfs/dbraw/zinc/58/06/42/929580642.db2.gz AAVJVVSRHQJOQK-UHFFFAOYSA-N 2 0 371.569 3.770 20 0 FHADRP Cc1ccc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180712149 929625178 /nfs/dbraw/zinc/62/51/78/929625178.db2.gz DDTLJRUABGKUFL-HSZRJFAPSA-N 2 0 351.538 3.700 20 0 FHADRP Cc1ccc([C@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)[NH+](C)C)cc1 ZINC000275646495 929695580 /nfs/dbraw/zinc/69/55/80/929695580.db2.gz MGTOYEMCUNJRCM-NRFANRHFSA-N 2 0 368.525 3.524 20 0 FHADRP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000275661655 929766092 /nfs/dbraw/zinc/76/60/92/929766092.db2.gz OCPWEJYOVZHBIH-IEBWSBKVSA-N 2 0 372.557 3.565 20 0 FHADRP FC(F)CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000683690686 929806096 /nfs/dbraw/zinc/80/60/96/929806096.db2.gz NXLRAFRFXFYERL-OWZKRDHZSA-N 2 0 363.496 3.501 20 0 FHADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC3 ZINC000123403342 930005577 /nfs/dbraw/zinc/00/55/77/930005577.db2.gz UGJRKXBGWLNWIM-INIZCTEOSA-N 2 0 355.526 3.886 20 0 FHADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]([NH3+])c3ccccc3)ccc21 ZINC000236899025 930076915 /nfs/dbraw/zinc/07/69/15/930076915.db2.gz FQHKXGRUOFQUKQ-OAQYLSRUSA-N 2 0 364.493 3.622 20 0 FHADRP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610371351 930173778 /nfs/dbraw/zinc/17/37/78/930173778.db2.gz JHFVXZFMPVJNSC-YLJYHZDGSA-N 2 0 351.485 3.516 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc(-c2ccccc2)cs1 ZINC000580129301 930284496 /nfs/dbraw/zinc/28/44/96/930284496.db2.gz UPPGOOOMBSAECP-LJQANCHMSA-N 2 0 372.582 3.658 20 0 FHADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000126652230 937401632 /nfs/dbraw/zinc/40/16/32/937401632.db2.gz AZLVKNLQWZMKIK-INIZCTEOSA-N 2 0 372.582 3.612 20 0 FHADRP Cn1cc(C[NH+]2CCC(n3ccnc3)CC2)c(-c2cc3ccccc3o2)n1 ZINC000122572548 930437410 /nfs/dbraw/zinc/43/74/10/930437410.db2.gz UXNYIGIVZZKPBY-UHFFFAOYSA-N 2 0 361.449 3.867 20 0 FHADRP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000580324538 930501225 /nfs/dbraw/zinc/50/12/25/930501225.db2.gz YKORQSNQGGISQT-FQEVSTJZSA-N 2 0 365.521 3.520 20 0 FHADRP c1c(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[nH]c2ccccc12 ZINC000683930668 930647047 /nfs/dbraw/zinc/64/70/47/930647047.db2.gz VYXWFXOLAGGLTF-UHFFFAOYSA-N 2 0 363.505 3.975 20 0 FHADRP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471582229 930737178 /nfs/dbraw/zinc/73/71/78/930737178.db2.gz NQFNVWGBGSANOT-YJBOKZPZSA-N 2 0 372.384 3.930 20 0 FHADRP Cc1ccccc1C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000580534965 930820518 /nfs/dbraw/zinc/82/05/18/930820518.db2.gz LBKPAVSTGKAGBV-QHCPKHFHSA-N 2 0 369.597 3.856 20 0 FHADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000564601855 930822362 /nfs/dbraw/zinc/82/23/62/930822362.db2.gz YOOFDTQALAHIKH-YTFSRNRJSA-N 3 0 355.570 3.609 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000471593613 930844402 /nfs/dbraw/zinc/84/44/02/930844402.db2.gz MIXPCVFCOCFYOO-UGSOOPFHSA-N 2 0 356.341 3.596 20 0 FHADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000471596897 930881169 /nfs/dbraw/zinc/88/11/69/930881169.db2.gz YQCGTFYJTKIKRO-LPHOPBHVSA-N 2 0 357.567 3.894 20 0 FHADRP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000471602812 930928046 /nfs/dbraw/zinc/92/80/46/930928046.db2.gz PYOJUGCHLRQTQD-SFYKDHMMSA-N 2 0 369.553 3.969 20 0 FHADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000580738002 931083411 /nfs/dbraw/zinc/08/34/11/931083411.db2.gz UVFQQBTWOWIYLL-LJQANCHMSA-N 2 0 359.901 3.843 20 0 FHADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000580933107 931366175 /nfs/dbraw/zinc/36/61/75/931366175.db2.gz USHBFKNWXYVYIF-MRXNPFEDSA-N 2 0 363.512 3.892 20 0 FHADRP CO[C@@H]1CCC[NH+](CC(C[N@H+]2CCC[C@@H](OC)CC2)c2ccccc2)CC1 ZINC000639582237 931567173 /nfs/dbraw/zinc/56/71/73/931567173.db2.gz FOYGYUDYXIWKPS-DHIUTWEWSA-N 2 0 374.569 3.772 20 0 FHADRP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC2CCOCC2)cc1 ZINC000656405108 931593238 /nfs/dbraw/zinc/59/32/38/931593238.db2.gz HVLYXXDRNISQBD-GPJHCHHRSA-N 2 0 354.538 3.646 20 0 FHADRP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCC[C@@H]2CCOC2)cc1 ZINC000656405644 931602335 /nfs/dbraw/zinc/60/23/35/931602335.db2.gz JZLCAIPOVXODAE-LILXYRQWSA-N 2 0 354.538 3.646 20 0 FHADRP c1ncc(CC[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)s1 ZINC000656407192 931603161 /nfs/dbraw/zinc/60/31/61/931603161.db2.gz RASLDCXDNNYIKD-KCLUMXDGSA-N 2 0 353.535 3.528 20 0 FHADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430559199 931844472 /nfs/dbraw/zinc/84/44/72/931844472.db2.gz ZYZFBNVRRAVGRC-IEBWSBKVSA-N 2 0 351.494 3.741 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430561375 931860363 /nfs/dbraw/zinc/86/03/63/931860363.db2.gz KRARKJBHBYCGJF-UHFFFAOYSA-N 2 0 351.494 3.760 20 0 FHADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576142 931934366 /nfs/dbraw/zinc/93/43/66/931934366.db2.gz RQZVGGMOPUNIAJ-HFSMHLIXSA-N 2 0 371.569 3.707 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430576140 931934659 /nfs/dbraw/zinc/93/46/59/931934659.db2.gz RQZVGGMOPUNIAJ-FBBABVLZSA-N 2 0 371.569 3.707 20 0 FHADRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430600635 932047012 /nfs/dbraw/zinc/04/70/12/932047012.db2.gz BNXSAEZPUOWUBE-GOSISDBHSA-N 2 0 367.493 3.739 20 0 FHADRP O=C(CC[NH2+]CC1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1 ZINC000581424517 932059889 /nfs/dbraw/zinc/05/98/89/932059889.db2.gz SXOAXDRNQIDIQH-UHFFFAOYSA-N 2 0 357.523 3.579 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1Cl ZINC000581891552 932880633 /nfs/dbraw/zinc/88/06/33/932880633.db2.gz PPFGMIOBIYYFEG-FQEVSTJZSA-N 2 0 373.928 3.654 20 0 FHADRP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1Cl ZINC000581891553 932880869 /nfs/dbraw/zinc/88/08/69/932880869.db2.gz PPFGMIOBIYYFEG-HXUWFJFHSA-N 2 0 373.928 3.654 20 0 FHADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000090971260 933107355 /nfs/dbraw/zinc/10/73/55/933107355.db2.gz UKKQHUYFJQTWDB-SFHVURJKSA-N 2 0 353.510 3.971 20 0 FHADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000510554179 933219904 /nfs/dbraw/zinc/21/99/04/933219904.db2.gz XLEUQTKIPNUTQO-UIFIKXQLSA-N 2 0 357.542 3.509 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430923264 933420605 /nfs/dbraw/zinc/42/06/05/933420605.db2.gz FAPKJJOHGQTPEX-QGZVFWFLSA-N 2 0 367.493 3.867 20 0 FHADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430924039 933422807 /nfs/dbraw/zinc/42/28/07/933422807.db2.gz HOMAWKLVYNIDPZ-RWMBFGLXSA-N 2 0 372.340 3.618 20 0 FHADRP [NH3+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000430968914 933527590 /nfs/dbraw/zinc/52/75/90/933527590.db2.gz XVTYABAMBKDNDO-MRXNPFEDSA-N 2 0 366.896 3.973 20 0 FHADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431066382 933758136 /nfs/dbraw/zinc/75/81/36/933758136.db2.gz SQNXOIFATSOCAY-VCSGRIEYSA-N 2 0 355.526 3.574 20 0 FHADRP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000431064311 933766303 /nfs/dbraw/zinc/76/63/03/933766303.db2.gz IWCLGWQGKFEXOC-ICSRJNTNSA-N 2 0 357.542 3.679 20 0 FHADRP Cc1ccc([C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C2CC2)cc1 ZINC000091318383 933811078 /nfs/dbraw/zinc/81/10/78/933811078.db2.gz RTFVSXXKVOSJGS-QFIPXVFZSA-N 2 0 365.521 3.527 20 0 FHADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000092381255 934031367 /nfs/dbraw/zinc/03/13/67/934031367.db2.gz QVOWUEAESFFVKO-UHFFFAOYSA-N 2 0 353.510 3.824 20 0 FHADRP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1-n1cncn1 ZINC000092587640 934099956 /nfs/dbraw/zinc/09/99/56/934099956.db2.gz WRQOCWHVHCBQLZ-NRFANRHFSA-N 2 0 367.541 3.520 20 0 FHADRP C[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247548689 934158010 /nfs/dbraw/zinc/15/80/10/934158010.db2.gz SAWLTONGZPUEAP-FCGDIQPGSA-N 2 0 357.542 3.590 20 0 FHADRP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)c1ccccc1 ZINC000458204369 934375096 /nfs/dbraw/zinc/37/50/96/934375096.db2.gz XCGDUMNCSKOMBE-OAQYLSRUSA-N 2 0 369.509 3.567 20 0 FHADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000458204953 934375522 /nfs/dbraw/zinc/37/55/22/934375522.db2.gz QZDIJSFZESELAS-UHFFFAOYSA-N 2 0 371.550 3.548 20 0 FHADRP C[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000610828101 934502025 /nfs/dbraw/zinc/50/20/25/934502025.db2.gz KKNQNQBQZNIDLE-SKNUGPPASA-N 2 0 367.518 3.792 20 0 FHADRP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)N1CC[NH+](C)CC1 ZINC000657304308 935046457 /nfs/dbraw/zinc/04/64/57/935046457.db2.gz YIBGNNPICHGDLW-HXUWFJFHSA-N 2 0 357.567 3.777 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657310182 935080648 /nfs/dbraw/zinc/08/06/48/935080648.db2.gz ALMBCBJTZPUCRW-QGZVFWFLSA-N 2 0 352.526 3.819 20 0 FHADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000472143202 935175525 /nfs/dbraw/zinc/17/55/25/935175525.db2.gz YMOPZHYMUAARED-VQTJNVASSA-N 2 0 359.602 3.778 20 0 FHADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000157915534 935228673 /nfs/dbraw/zinc/22/86/73/935228673.db2.gz LSLUDFYCEDGEBU-ROUUACIJSA-N 2 0 359.514 3.806 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1NC(C)=O ZINC000157940153 935236251 /nfs/dbraw/zinc/23/62/51/935236251.db2.gz ZIIAPLSRTJGFDQ-SJORKVTESA-N 2 0 361.530 3.816 20 0 FHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000657333094 935246958 /nfs/dbraw/zinc/24/69/58/935246958.db2.gz ZMDBHCGKUJPIOD-UHFFFAOYSA-N 2 0 354.420 3.569 20 0 FHADRP [NH3+][C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000414958005 945087290 /nfs/dbraw/zinc/08/72/90/945087290.db2.gz CNMIQPDHBZTWFM-NRFANRHFSA-N 2 0 366.509 3.537 20 0 FHADRP C[C@H](Cc1ccsc1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000544024232 935251683 /nfs/dbraw/zinc/25/16/83/935251683.db2.gz WDWDNZBMYDPXMW-KZNAEPCWSA-N 2 0 350.572 3.890 20 0 FHADRP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n(CC2CC2)n1 ZINC000657337522 935262762 /nfs/dbraw/zinc/26/27/62/935262762.db2.gz YEXQVNGIBJLUPY-UHFFFAOYSA-N 2 0 352.526 3.959 20 0 FHADRP CCc1cccc2cc(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)oc21 ZINC000657337731 935266725 /nfs/dbraw/zinc/26/67/25/935266725.db2.gz IBZFJDAHLLFPQP-UHFFFAOYSA-N 2 0 355.526 3.643 20 0 FHADRP C[C@H]1CSCCC[NH+]1Cc1cncc(C[N@H+]2CCCSC[C@@H]2C)c1 ZINC000934297140 935286704 /nfs/dbraw/zinc/28/67/04/935286704.db2.gz AKFSMFMTYBKUDZ-IRXDYDNUSA-N 2 0 365.612 3.736 20 0 FHADRP CC1CC[NH+](CCC[C@H]([NH2+]CCn2ccnc2)c2ccc(F)cc2)CC1 ZINC000438835293 945093988 /nfs/dbraw/zinc/09/39/88/945093988.db2.gz WHZAXXPVBRFYTO-NRFANRHFSA-N 2 0 358.505 3.865 20 0 FHADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548719407 935479913 /nfs/dbraw/zinc/47/99/13/935479913.db2.gz AARNVTJOZLTWOB-CTNGQTDRSA-N 2 0 371.569 3.668 20 0 FHADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000439933442 945106973 /nfs/dbraw/zinc/10/69/73/945106973.db2.gz PRZMPJVKXBWNRR-NRFANRHFSA-N 2 0 373.541 3.753 20 0 FHADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3C[C@H]3c3ccccc3)cn2)CC1 ZINC000582367439 935573158 /nfs/dbraw/zinc/57/31/58/935573158.db2.gz MEBHQDZBJMQINB-COPCDDAFSA-N 2 0 364.537 3.505 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000439963990 945113057 /nfs/dbraw/zinc/11/30/57/945113057.db2.gz WCLNZGOHDFSLPG-DYXWJJEUSA-N 2 0 361.574 3.506 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430239 935701712 /nfs/dbraw/zinc/70/17/12/935701712.db2.gz PCIQZDQZHCRENP-JLMWRMLUSA-N 2 0 358.526 3.597 20 0 FHADRP CCCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000657431713 935717863 /nfs/dbraw/zinc/71/78/63/935717863.db2.gz JLFSEONLQZLXBG-QFIPXVFZSA-N 2 0 368.521 3.640 20 0 FHADRP CCOc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000582514070 935785983 /nfs/dbraw/zinc/78/59/83/935785983.db2.gz JFIYBQKTPLQNGR-INIZCTEOSA-N 2 0 368.468 3.850 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000516678838 945126369 /nfs/dbraw/zinc/12/63/69/945126369.db2.gz FLJSIWAWDXRNOH-MOKGIYGOSA-N 2 0 369.475 3.724 20 0 FHADRP CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000516678839 945127313 /nfs/dbraw/zinc/12/73/13/945127313.db2.gz FLJSIWAWDXRNOH-NWNNTGRJSA-N 2 0 369.475 3.724 20 0 FHADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000516678841 945127437 /nfs/dbraw/zinc/12/74/37/945127437.db2.gz FLJSIWAWDXRNOH-WBILKINKSA-N 2 0 369.475 3.724 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000178619975 935891084 /nfs/dbraw/zinc/89/10/84/935891084.db2.gz WGAICUICZWDGHB-AZUAARDMSA-N 2 0 350.506 3.837 20 0 FHADRP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684954964 935897714 /nfs/dbraw/zinc/89/77/14/935897714.db2.gz FTRIROAAZPDOPI-JOCHJYFZSA-N 2 0 364.537 3.651 20 0 FHADRP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2)n1 ZINC000414960074 945135345 /nfs/dbraw/zinc/13/53/45/945135345.db2.gz ABJKJECESOSZHV-HNNXBMFYSA-N 2 0 352.404 3.513 20 0 FHADRP FC(F)Oc1ccc(Br)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414960088 945135493 /nfs/dbraw/zinc/13/54/93/945135493.db2.gz ABYALROTDPFYPC-ZDUSSCGKSA-N 2 0 363.246 3.672 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)c(Br)c2)C1 ZINC001167602052 935966051 /nfs/dbraw/zinc/96/60/51/935966051.db2.gz IRGFRCKLXDLUII-QGZVFWFLSA-N 2 0 369.347 3.690 20 0 FHADRP c1ccc(-c2cccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c2)nc1 ZINC000657535633 935975802 /nfs/dbraw/zinc/97/58/02/935975802.db2.gz QKTVRNDTGVZVPV-UHFFFAOYSA-N 2 0 365.521 3.729 20 0 FHADRP Clc1cccc2c1C[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000657537408 935976070 /nfs/dbraw/zinc/97/60/70/935976070.db2.gz JXLBPZLBXKVHRD-GOSISDBHSA-N 2 0 362.945 3.678 20 0 FHADRP CC(=O)NCc1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000657542375 935988086 /nfs/dbraw/zinc/98/80/86/935988086.db2.gz YAUISLKBGPNTSI-UHFFFAOYSA-N 2 0 367.537 3.571 20 0 FHADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000075007421 936002594 /nfs/dbraw/zinc/00/25/94/936002594.db2.gz PIBNYRBLRYEMTC-UHFFFAOYSA-N 2 0 356.457 3.611 20 0 FHADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000077372449 936046197 /nfs/dbraw/zinc/04/61/97/936046197.db2.gz NVDUTMGUHPEQCF-IBGZPJMESA-N 2 0 371.569 3.839 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(C)c1OC ZINC000582748328 936067545 /nfs/dbraw/zinc/06/75/45/936067545.db2.gz HEFSNVQIAMOCEO-MRXNPFEDSA-N 2 0 366.465 3.752 20 0 FHADRP CC(C)COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657595328 936075253 /nfs/dbraw/zinc/07/52/53/936075253.db2.gz OXRWCGPIKMDHFD-JOCHJYFZSA-N 2 0 368.521 3.578 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cscc3C(F)(F)F)cc2)C1 ZINC000657595386 936075297 /nfs/dbraw/zinc/07/52/97/936075297.db2.gz HTTIWJZIVWUOCJ-MRXNPFEDSA-N 2 0 370.440 3.623 20 0 FHADRP CCCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000657597624 936080994 /nfs/dbraw/zinc/08/09/94/936080994.db2.gz VWBADVKEVFEAPD-JOCHJYFZSA-N 2 0 368.521 3.640 20 0 FHADRP c1cc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000657613962 936099978 /nfs/dbraw/zinc/09/99/78/936099978.db2.gz ZDWSHJDMAFDCLW-UHFFFAOYSA-N 2 0 367.522 3.535 20 0 FHADRP COc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000657613819 936100121 /nfs/dbraw/zinc/10/01/21/936100121.db2.gz RGYNHSYSWJVDDS-UHFFFAOYSA-N 2 0 359.901 3.745 20 0 FHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000657642893 936140639 /nfs/dbraw/zinc/14/06/39/936140639.db2.gz LRMGRXWZDYKAGT-HXUWFJFHSA-N 2 0 355.913 3.869 20 0 FHADRP CSC1(C[NH2+][C@H](C)c2cc(Br)cs2)CC[NH+](C)CC1 ZINC000582815231 936160955 /nfs/dbraw/zinc/16/09/55/936160955.db2.gz INGBEGZILHLBKF-LLVKDONJSA-N 2 0 363.390 3.989 20 0 FHADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000472266030 936174026 /nfs/dbraw/zinc/17/40/26/936174026.db2.gz ZZPCWCMRDHMQRV-QGZVFWFLSA-N 2 0 363.527 3.644 20 0 FHADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1 ZINC000582837967 936202405 /nfs/dbraw/zinc/20/24/05/936202405.db2.gz LVLIZGANQATNJL-VQIMIIECSA-N 2 0 371.491 3.671 20 0 FHADRP C[NH+](C)CCOCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000582885207 936258554 /nfs/dbraw/zinc/25/85/54/936258554.db2.gz YWOKGQZBPPFWIL-IBGZPJMESA-N 2 0 350.865 3.736 20 0 FHADRP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1ccc(F)cc1 ZINC000414962936 945156665 /nfs/dbraw/zinc/15/66/65/945156665.db2.gz TVNPUNPKNAJYSC-KXBFYZLASA-N 2 0 358.457 3.501 20 0 FHADRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000261837919 938255734 /nfs/dbraw/zinc/25/57/34/938255734.db2.gz YGLQYXKBQUUYCL-UHFFFAOYSA-N 2 0 358.313 3.644 20 0 FHADRP COc1ccc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2c1 ZINC000650705420 938283080 /nfs/dbraw/zinc/28/30/80/938283080.db2.gz GLZKCLOJYFWJCH-TUNNFDKTSA-N 2 0 354.494 3.567 20 0 FHADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C(F)(F)F ZINC000650708960 938291813 /nfs/dbraw/zinc/29/18/13/938291813.db2.gz WRUNFOGSDIEFOQ-LZLYRXPVSA-N 2 0 356.432 3.732 20 0 FHADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000052441509 938307323 /nfs/dbraw/zinc/30/73/23/938307323.db2.gz NLVZBOWDFHLKGQ-GOSISDBHSA-N 2 0 358.448 3.793 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3F)o2)C1 ZINC000650722293 938309646 /nfs/dbraw/zinc/30/96/46/938309646.db2.gz OSYWSZULCVSJIM-QFIXIFRTSA-N 2 0 358.457 3.947 20 0 FHADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccccc3)n2)C1 ZINC000650722647 938309792 /nfs/dbraw/zinc/30/97/92/938309792.db2.gz YORVMGLBBIDULB-NZSAHSFTSA-N 2 0 357.523 3.671 20 0 FHADRP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(CCC3)C2)cc1 ZINC000657774107 938317335 /nfs/dbraw/zinc/31/73/35/938317335.db2.gz XCOFSOUIGXHAGI-RTWAWAEBSA-N 2 0 354.538 3.980 20 0 FHADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151088943 938341120 /nfs/dbraw/zinc/34/11/20/938341120.db2.gz ADWYRKPTZYJAIG-NZQKXSOJSA-N 2 0 373.585 3.758 20 0 FHADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c(F)c1 ZINC000650753899 938407358 /nfs/dbraw/zinc/40/73/58/938407358.db2.gz XQKWFXQSQDZLGA-KRWDZBQOSA-N 2 0 354.347 3.960 20 0 FHADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650754469 938408264 /nfs/dbraw/zinc/40/82/64/938408264.db2.gz JVIWLZKWLDCDNX-UHFFFAOYSA-N 3 0 355.501 3.817 20 0 FHADRP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cncc(Cl)c1)CC2 ZINC001279637843 938418808 /nfs/dbraw/zinc/41/88/08/938418808.db2.gz AAMNWLBPYKEROY-UHFFFAOYSA-N 2 0 362.930 3.598 20 0 FHADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000650758441 938424218 /nfs/dbraw/zinc/42/42/18/938424218.db2.gz POGUAILMQVGNJZ-OAHLLOKOSA-N 2 0 352.457 3.890 20 0 FHADRP C[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)c1cccc(Br)c1 ZINC000583899394 938473349 /nfs/dbraw/zinc/47/33/49/938473349.db2.gz NPJAJXBPZBYTSA-HFTRVMKXSA-N 2 0 351.332 3.969 20 0 FHADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811427 938506233 /nfs/dbraw/zinc/50/62/33/938506233.db2.gz BPMUXCHJYNCCOC-UHFFFAOYSA-N 2 0 370.516 3.840 20 0 FHADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OCc1ccccc1 ZINC000414963902 945181274 /nfs/dbraw/zinc/18/12/74/945181274.db2.gz DJOXKGJBMYTKQJ-FQEVSTJZSA-N 2 0 354.494 3.896 20 0 FHADRP CCC[C@H]([NH2+]CCCN1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000151375892 938534773 /nfs/dbraw/zinc/53/47/73/938534773.db2.gz QRYCAWFMUYBJRV-SFHVURJKSA-N 2 0 358.448 3.983 20 0 FHADRP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc12 ZINC000132860942 938545500 /nfs/dbraw/zinc/54/55/00/938545500.db2.gz NRJOUVHPROPCGO-ROUUACIJSA-N 2 0 368.521 4.000 20 0 FHADRP FC(F)Oc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506011488 945194227 /nfs/dbraw/zinc/19/42/27/945194227.db2.gz BYVJBSAZKWEVAZ-UHFFFAOYSA-N 2 0 368.468 3.612 20 0 FHADRP C[N@H+](CCNC(=O)C1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000081156059 938717044 /nfs/dbraw/zinc/71/70/44/938717044.db2.gz AXNPICALRZBTJG-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCC2CCCC2)CC1)Cc1ccccc1 ZINC000081156107 938717133 /nfs/dbraw/zinc/71/71/33/938717133.db2.gz GVGPMDGHOWBVHT-UHFFFAOYSA-N 2 0 371.569 3.527 20 0 FHADRP CC(C)c1nccn1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000081444139 938788904 /nfs/dbraw/zinc/78/89/04/938788904.db2.gz NBUPYZIHOHAFCY-LJQANCHMSA-N 2 0 368.525 3.520 20 0 FHADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000090540711 938880150 /nfs/dbraw/zinc/88/01/50/938880150.db2.gz PRIQWLPRTSMLLL-RSPOEFSDSA-N 2 0 352.588 3.674 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000090585520 938880330 /nfs/dbraw/zinc/88/03/30/938880330.db2.gz ZWJLMCPJHSHHIV-IRXDYDNUSA-N 2 0 357.542 3.935 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000657862712 938896840 /nfs/dbraw/zinc/89/68/40/938896840.db2.gz GSSJJGQDWLAFPU-LJQANCHMSA-N 2 0 363.977 3.809 20 0 FHADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091287224 938899634 /nfs/dbraw/zinc/89/96/34/938899634.db2.gz JDWDXSXNSYOHMC-QHCPKHFHSA-N 2 0 366.553 3.706 20 0 FHADRP CC(C)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000091334816 938900227 /nfs/dbraw/zinc/90/02/27/938900227.db2.gz PPGYICMSDIBILR-YJBOKZPZSA-N 2 0 357.464 3.628 20 0 FHADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccnc1 ZINC000091367834 938900502 /nfs/dbraw/zinc/90/05/02/938900502.db2.gz LFNQGHBSSTVRLO-QFIPXVFZSA-N 2 0 353.510 3.525 20 0 FHADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3ccc(F)cn3)CC2)c1 ZINC000092737929 938919048 /nfs/dbraw/zinc/91/90/48/938919048.db2.gz IZYSEMFMUDQCDM-IBGZPJMESA-N 2 0 370.516 3.782 20 0 FHADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137737220 938936981 /nfs/dbraw/zinc/93/69/81/938936981.db2.gz VTFYEPVHBKCAFM-OAHLLOKOSA-N 2 0 371.447 3.698 20 0 FHADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000657869336 938938213 /nfs/dbraw/zinc/93/82/13/938938213.db2.gz HPXNYKLTTHIKKU-LMNJBCLMSA-N 2 0 363.977 3.839 20 0 FHADRP COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000657870289 938943372 /nfs/dbraw/zinc/94/33/72/938943372.db2.gz BWVQRWLDLIJXNT-QHCPKHFHSA-N 2 0 374.569 3.840 20 0 FHADRP CN1CCC[C@@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375768689 938965878 /nfs/dbraw/zinc/96/58/78/938965878.db2.gz OAPXTXLUWXINOR-DOTOQJQBSA-N 2 0 356.432 3.714 20 0 FHADRP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657889506 938983165 /nfs/dbraw/zinc/98/31/65/938983165.db2.gz YMHQCPDFPMOUII-QUCCMNQESA-N 2 0 356.554 3.587 20 0 FHADRP CN1CCN(C(=O)c2ccc(C[NH2+]CCCC3CCCCC3)cc2)CC1 ZINC000685421395 938985458 /nfs/dbraw/zinc/98/54/58/938985458.db2.gz ITQWIHYCCRRAKX-UHFFFAOYSA-N 2 0 357.542 3.524 20 0 FHADRP C[C@H]([NH2+][C@H]1CCc2cc(O)ccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000685429412 938986470 /nfs/dbraw/zinc/98/64/70/938986470.db2.gz JPPLRZNTFLTLDA-HSQYWUDLSA-N 2 0 350.506 3.750 20 0 FHADRP c1cc([C@@H]2CCCCN2Cc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000685438179 938987152 /nfs/dbraw/zinc/98/71/52/938987152.db2.gz YLKSZWGASQSMLA-NRFANRHFSA-N 2 0 354.498 3.612 20 0 FHADRP c1cncc(C2CC[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c1 ZINC000685456028 938987726 /nfs/dbraw/zinc/98/77/26/938987726.db2.gz GDPOSDYQNVGPEQ-UHFFFAOYSA-N 2 0 365.521 3.936 20 0 FHADRP C[N@H+](Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457908 938988064 /nfs/dbraw/zinc/98/80/64/938988064.db2.gz SEQBNZVUXKUFGF-FQEVSTJZSA-N 2 0 371.500 3.686 20 0 FHADRP CC[N@H+](CCC1CC[NH+](Cc2ccccc2-n2cncn2)CC1)CC(C)C ZINC000685462612 938988685 /nfs/dbraw/zinc/98/86/85/938988685.db2.gz GTLUSUOEVGCXOB-UHFFFAOYSA-N 2 0 369.557 3.847 20 0 FHADRP C[C@@H](Oc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000657890951 938990190 /nfs/dbraw/zinc/99/01/90/938990190.db2.gz XTFSAKHTMBIIKE-RBUKOAKNSA-N 2 0 368.521 3.934 20 0 FHADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657893386 938991807 /nfs/dbraw/zinc/99/18/07/938991807.db2.gz RCQTYAJVZISAHU-MRXNPFEDSA-N 2 0 366.500 3.620 20 0 FHADRP Cc1cccc2nc(CC[NH2+]C3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)cn21 ZINC000647365070 938996105 /nfs/dbraw/zinc/99/61/05/938996105.db2.gz YHAWUQCKZMIPDR-LAUBAEHRSA-N 2 0 354.542 3.818 20 0 FHADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000657924628 939007537 /nfs/dbraw/zinc/00/75/37/939007537.db2.gz CXCMRKUSWXTBDI-MISYRCLQSA-N 2 0 350.934 3.629 20 0 FHADRP CC[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000309684723 939010101 /nfs/dbraw/zinc/01/01/01/939010101.db2.gz FIOKCHZLZJLIEQ-GOSISDBHSA-N 2 0 361.530 3.544 20 0 FHADRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000132219287 939012679 /nfs/dbraw/zinc/01/26/79/939012679.db2.gz OLUGPXRNDJZDLL-UHFFFAOYSA-N 2 0 352.482 3.607 20 0 FHADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc2cnccc2o1 ZINC000658036977 939020187 /nfs/dbraw/zinc/02/01/87/939020187.db2.gz SRLWPYUNYSBCGU-QGZVFWFLSA-N 2 0 365.477 3.506 20 0 FHADRP C[C@@H]([NH2+]CCc1noc2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000658066410 939021490 /nfs/dbraw/zinc/02/14/90/939021490.db2.gz LIULIGMJTXSNTC-MRXNPFEDSA-N 2 0 353.466 3.662 20 0 FHADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069008 939021702 /nfs/dbraw/zinc/02/17/02/939021702.db2.gz CAWFGPSMDHATNO-QHCPKHFHSA-N 2 0 374.569 3.708 20 0 FHADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000658109193 939028819 /nfs/dbraw/zinc/02/88/19/939028819.db2.gz UEVFAIOPIHARSY-OALUTQOASA-N 2 0 354.542 3.671 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccnc3ccccc23)[C@@H](C)C1 ZINC000658126668 939034103 /nfs/dbraw/zinc/03/41/03/939034103.db2.gz HCSFSNWGRNMSFO-RXVVDRJESA-N 2 0 355.526 3.504 20 0 FHADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cc2)C1 ZINC000658142796 939035340 /nfs/dbraw/zinc/03/53/40/939035340.db2.gz WMZJVIIGHDVEQC-JTHBVZDNSA-N 2 0 350.506 3.811 20 0 FHADRP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658142905 939035659 /nfs/dbraw/zinc/03/56/59/939035659.db2.gz ZVAVSQBZTVQTEG-FRGLQRNOSA-N 2 0 350.506 3.666 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2n1 ZINC000658143139 939035939 /nfs/dbraw/zinc/03/59/39/939035939.db2.gz WXWHGARUWNQLIW-DYESRHJHSA-N 2 0 361.489 3.652 20 0 FHADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1 ZINC000658143512 939036689 /nfs/dbraw/zinc/03/66/89/939036689.db2.gz ZHKPEDSNKAVCNS-IRLDBZIGSA-N 2 0 354.494 3.503 20 0 FHADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)cc2)C1 ZINC000658137167 939040354 /nfs/dbraw/zinc/04/03/54/939040354.db2.gz JHVYIPCEPPNIIN-FGZHOGPDSA-N 2 0 354.469 3.633 20 0 FHADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[C@@H]1c1ccccc1 ZINC000658138058 939040671 /nfs/dbraw/zinc/04/06/71/939040671.db2.gz MKLJYORGODUKBW-VQROGVPDSA-N 2 0 350.506 3.535 20 0 FHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137441 939041098 /nfs/dbraw/zinc/04/10/98/939041098.db2.gz GVCVSBPXOFDJLN-HTAPYJJXSA-N 2 0 356.485 3.503 20 0 FHADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnc2ccsc2c1 ZINC000658139549 939043013 /nfs/dbraw/zinc/04/30/13/939043013.db2.gz MZGHPBGPDPLBCK-BEFAXECRSA-N 2 0 367.518 3.714 20 0 FHADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658163730 939052229 /nfs/dbraw/zinc/05/22/29/939052229.db2.gz AJRBLZMCSGNIIZ-GCJKJVERSA-N 2 0 353.510 3.659 20 0 FHADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000658165322 939053911 /nfs/dbraw/zinc/05/39/11/939053911.db2.gz ILTRZGCBOVEZCV-NHCUHLMSSA-N 2 0 359.558 3.723 20 0 FHADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168370 939055450 /nfs/dbraw/zinc/05/54/50/939055450.db2.gz WKXJQFDXUIXAHE-QFIPXVFZSA-N 2 0 365.521 3.969 20 0 FHADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316302 939109252 /nfs/dbraw/zinc/10/92/52/939109252.db2.gz DSCFYUADYBXNKG-CTNGQTDRSA-N 2 0 364.537 3.689 20 0 FHADRP COC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1F ZINC000658352357 939123854 /nfs/dbraw/zinc/12/38/54/939123854.db2.gz FKCCQVWHZGZMFE-GOSISDBHSA-N 2 0 354.897 3.878 20 0 FHADRP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccn2)cc1 ZINC000658352648 939123900 /nfs/dbraw/zinc/12/39/00/939123900.db2.gz HLAFUESQSXCHSM-HSZRJFAPSA-N 2 0 365.521 3.891 20 0 FHADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000658357139 939125321 /nfs/dbraw/zinc/12/53/21/939125321.db2.gz RLUKSVUZTSEMKZ-AWEZNQCLSA-N 2 0 360.933 3.999 20 0 FHADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)nnn1-c1ccc(C)cc1 ZINC000658355544 939125688 /nfs/dbraw/zinc/12/56/88/939125688.db2.gz JODNHVUJTPNVQS-QGZVFWFLSA-N 2 0 367.541 3.657 20 0 FHADRP CCC(CC)(CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH2+][C@H](C)c1ccccc1 ZINC000427315767 945265768 /nfs/dbraw/zinc/26/57/68/945265768.db2.gz PEHPZPJAGFEWSY-RTBURBONSA-N 2 0 359.558 3.792 20 0 FHADRP CCCCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(C)n1 ZINC000507497019 945268356 /nfs/dbraw/zinc/26/83/56/945268356.db2.gz QKJYPFNPMHYXGN-AKIFATBCSA-N 2 0 366.553 3.992 20 0 FHADRP FC(F)Oc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Br ZINC000414972091 945269585 /nfs/dbraw/zinc/26/95/85/945269585.db2.gz LXIRCHKJEBYOPY-GFCCVEGCSA-N 2 0 363.246 3.672 20 0 FHADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000132713291 939897689 /nfs/dbraw/zinc/89/76/89/939897689.db2.gz MYGAGHSKPZKNGF-JOCHJYFZSA-N 2 0 354.469 3.560 20 0 FHADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)[C@@H]1CCCOC1 ZINC000507517235 945280308 /nfs/dbraw/zinc/28/03/08/945280308.db2.gz YVZSLEAQFHGSDK-NXLVEIQXSA-N 2 0 374.569 3.600 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414972735 945281273 /nfs/dbraw/zinc/28/12/73/945281273.db2.gz MWCAETOEHZTVHP-ZIAGYGMSSA-N 2 0 357.420 3.544 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@@H]21 ZINC000375836172 939957812 /nfs/dbraw/zinc/95/78/12/939957812.db2.gz BJKWVRZFPTYKPA-AOIWGVFYSA-N 2 0 356.539 3.600 20 0 FHADRP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000584470358 939989361 /nfs/dbraw/zinc/98/93/61/939989361.db2.gz WGIBENOURTVQGU-UHFFFAOYSA-N 2 0 362.521 3.977 20 0 FHADRP CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000177190047 940005364 /nfs/dbraw/zinc/00/53/64/940005364.db2.gz DMLNHXNJNXQGDG-UHFFFAOYSA-N 2 0 373.541 3.772 20 0 FHADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000507536274 945295740 /nfs/dbraw/zinc/29/57/40/945295740.db2.gz WLXJOJWILQQYKX-ZHHKINOHSA-N 2 0 356.554 3.675 20 0 FHADRP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000177356663 940141668 /nfs/dbraw/zinc/14/16/68/940141668.db2.gz QXTGSLSDLYFIKC-GBESFXJTSA-N 2 0 365.562 3.630 20 0 FHADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507520571 945299669 /nfs/dbraw/zinc/29/96/69/945299669.db2.gz RLKFOFNCZSCSJR-WTGUMLROSA-N 2 0 356.535 3.590 20 0 FHADRP C[NH+](C)C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507526213 945303156 /nfs/dbraw/zinc/30/31/56/945303156.db2.gz LKWNBYIRLRAFQE-XQUALCHDSA-N 2 0 363.549 3.790 20 0 FHADRP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000647490435 940209216 /nfs/dbraw/zinc/20/92/16/940209216.db2.gz XIZMCNLZTBZYOD-KRWDZBQOSA-N 2 0 364.468 3.767 20 0 FHADRP C[C@@H]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@H]1C[NH3+] ZINC000644063520 940383929 /nfs/dbraw/zinc/38/39/29/940383929.db2.gz DOAYXZJHPXXILD-GCJKJVERSA-N 2 0 365.521 3.518 20 0 FHADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414054397 940462254 /nfs/dbraw/zinc/46/22/54/940462254.db2.gz BLGUJSFYZBFBSU-PZJWPPBQSA-N 2 0 363.977 3.983 20 0 FHADRP CC(C)[C@H](CNCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCCCCC1 ZINC000613260008 940494832 /nfs/dbraw/zinc/49/48/32/940494832.db2.gz XISBXCUNYDAYPN-QFIPXVFZSA-N 2 0 361.574 3.617 20 0 FHADRP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000431801968 940606623 /nfs/dbraw/zinc/60/66/23/940606623.db2.gz QTLVGRAGJSEZTI-HJNYFJLDSA-N 2 0 371.569 3.762 20 0 FHADRP CC(C)[NH+]1CCC(N[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174295467 940718342 /nfs/dbraw/zinc/71/83/42/940718342.db2.gz REDDBTNEJZAIEF-ROUUACIJSA-N 2 0 367.537 3.868 20 0 FHADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000414240710 940821307 /nfs/dbraw/zinc/82/13/07/940821307.db2.gz FBRCUJGMXIQUMG-JZZBYWGLSA-N 2 0 374.573 3.613 20 0 FHADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414310962 940941830 /nfs/dbraw/zinc/94/18/30/940941830.db2.gz UMOAYADVSHWESZ-IBGZPJMESA-N 2 0 370.512 3.764 20 0 FHADRP CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414322916 940970153 /nfs/dbraw/zinc/97/01/53/940970153.db2.gz HWBFOJXREGAOJQ-UNMCSNQZSA-N 2 0 371.569 3.832 20 0 FHADRP CN(c1ccccc1C[NH2+]CCC[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000186287116 940974692 /nfs/dbraw/zinc/97/46/92/940974692.db2.gz QRQLXRYMODMYLQ-OAQYLSRUSA-N 2 0 359.558 3.656 20 0 FHADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1 ZINC000414356021 941039765 /nfs/dbraw/zinc/03/97/65/941039765.db2.gz ZQNBJRLWMSNXAD-UHFFFAOYSA-N 2 0 352.526 3.610 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000511509294 941050880 /nfs/dbraw/zinc/05/08/80/941050880.db2.gz APNPJXFKQSFATG-JOCHJYFZSA-N 2 0 367.537 3.951 20 0 FHADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC(F)F)c1 ZINC000647544062 941065923 /nfs/dbraw/zinc/06/59/23/941065923.db2.gz VYOCZKCJTQPFEO-GJZGRUSLSA-N 2 0 354.441 3.508 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000647544975 941067597 /nfs/dbraw/zinc/06/75/97/941067597.db2.gz ZPBLYEGBKPDDFF-YADHBBJMSA-N 2 0 370.468 3.946 20 0 FHADRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4o3)CC2)C[C@@H](C)O1 ZINC000177482649 941128785 /nfs/dbraw/zinc/12/87/85/941128785.db2.gz GZJURFATXHWSBP-IAGOWNOFSA-N 2 0 357.498 3.539 20 0 FHADRP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000311202198 941139937 /nfs/dbraw/zinc/13/99/37/941139937.db2.gz IDXFEMMYYTYVLA-HNNXBMFYSA-N 2 0 355.567 3.969 20 0 FHADRP [NH3+]C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000178741621 941300082 /nfs/dbraw/zinc/30/00/82/941300082.db2.gz NOSVOCDIDXPOQY-OAQYLSRUSA-N 2 0 351.494 3.744 20 0 FHADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1F ZINC000180112134 941352400 /nfs/dbraw/zinc/35/24/00/941352400.db2.gz MFBKMTLBIIINQM-MFXLTOHQSA-N 2 0 354.469 3.644 20 0 FHADRP COc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180106473 941352423 /nfs/dbraw/zinc/35/24/23/941352423.db2.gz RSUGVOGKYOBWNV-VYTWWXLVSA-N 2 0 366.505 3.514 20 0 FHADRP C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376639038 941370243 /nfs/dbraw/zinc/37/02/43/941370243.db2.gz ZOHCZWPHHIAFSN-WZONZLPQSA-N 2 0 361.533 3.714 20 0 FHADRP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012598 941540191 /nfs/dbraw/zinc/54/01/91/941540191.db2.gz SUSVZIYBVNLBBA-VQTJNVASSA-N 2 0 352.526 3.648 20 0 FHADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000415025523 941549527 /nfs/dbraw/zinc/54/95/27/941549527.db2.gz QKMFBZHVSDJYGZ-BZUAXINKSA-N 2 0 351.922 3.720 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000415036088 941552463 /nfs/dbraw/zinc/55/24/63/941552463.db2.gz LHLJMHNWVNDSIU-OXQOHEQNSA-N 2 0 364.468 3.895 20 0 FHADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000415033781 941557694 /nfs/dbraw/zinc/55/76/94/941557694.db2.gz JIPCLFAKZXRZRS-WBVHZDCISA-N 2 0 352.507 3.818 20 0 FHADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415041639 941561421 /nfs/dbraw/zinc/56/14/21/941561421.db2.gz LNLBRTAGGFJQQY-HOTGVXAUSA-N 2 0 372.431 3.600 20 0 FHADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000415042593 941562999 /nfs/dbraw/zinc/56/29/99/941562999.db2.gz RCNQLPUQGZKVRI-TZMCWYRMSA-N 2 0 351.903 3.593 20 0 FHADRP Clc1cccc(Cl)c1CCC[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047674 941564742 /nfs/dbraw/zinc/56/47/42/941564742.db2.gz FLECWGGPKFZVKH-UHFFFAOYSA-N 2 0 370.368 3.732 20 0 FHADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047569 941564858 /nfs/dbraw/zinc/56/48/58/941564858.db2.gz DXXWYCAVBKISHA-RHZYHWHBSA-N 2 0 361.961 3.782 20 0 FHADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415051697 941567438 /nfs/dbraw/zinc/56/74/38/941567438.db2.gz MKWRDYLPCDGLGT-PZJWPPBQSA-N 2 0 351.494 3.721 20 0 FHADRP [NH3+]CCC[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000415045872 941569438 /nfs/dbraw/zinc/56/94/38/941569438.db2.gz BXNVQDKQKORFCR-KRWDZBQOSA-N 2 0 373.298 3.667 20 0 FHADRP c1ccc(COc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)nc1 ZINC000415056580 941576177 /nfs/dbraw/zinc/57/61/77/941576177.db2.gz SLRZDLGYGXMIDI-KNQAVFIVSA-N 2 0 351.494 3.625 20 0 FHADRP CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCOCC2)cc1 ZINC000415075892 941586996 /nfs/dbraw/zinc/58/69/96/941586996.db2.gz APHGXOABLMWEMN-BHDDXSALSA-N 2 0 372.553 3.644 20 0 FHADRP Brc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415078645 941591037 /nfs/dbraw/zinc/59/10/37/941591037.db2.gz GPNRERJSHHJTIK-BMGDILEWSA-N 2 0 363.343 3.991 20 0 FHADRP C[C@H]1C[C@@H](C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC[NH2+]1 ZINC000415082654 941593557 /nfs/dbraw/zinc/59/35/57/941593557.db2.gz DMQSJMDZHJWCBY-HOTGVXAUSA-N 2 0 370.459 3.731 20 0 FHADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000415087015 941596413 /nfs/dbraw/zinc/59/64/13/941596413.db2.gz SWGZUIXXTYEGKL-IUPXNIOVSA-N 2 0 353.913 3.551 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1cccs1 ZINC000415134887 941621953 /nfs/dbraw/zinc/62/19/53/941621953.db2.gz WHHOSENWFBLWQV-RDJZCZTQSA-N 2 0 360.523 3.752 20 0 FHADRP Cc1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(OC(F)F)cc1C ZINC000415129440 941622640 /nfs/dbraw/zinc/62/26/40/941622640.db2.gz UWZLTAPYMXIQPU-ROUUACIJSA-N 2 0 368.468 3.623 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131526 941623996 /nfs/dbraw/zinc/62/39/96/941623996.db2.gz SOGHNSGPUSURCF-FXAWDEMLSA-N 2 0 354.494 3.691 20 0 FHADRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccccc1 ZINC000415131527 941624169 /nfs/dbraw/zinc/62/41/69/941624169.db2.gz SOGHNSGPUSURCF-PXNSSMCTSA-N 2 0 354.494 3.691 20 0 FHADRP C[C@@H](CCc1ccccc1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137352 941625758 /nfs/dbraw/zinc/62/57/58/941625758.db2.gz SZQFOWSCBVTHQT-FQEVSTJZSA-N 2 0 351.538 3.591 20 0 FHADRP Cc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000549247600 941740808 /nfs/dbraw/zinc/74/08/08/941740808.db2.gz WCZGJGGITKNTDO-RTBURBONSA-N 2 0 354.542 3.853 20 0 FHADRP Cc1c(F)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Br ZINC001204734993 941762735 /nfs/dbraw/zinc/76/27/35/941762735.db2.gz ITITYXCNXQQGKD-UHFFFAOYSA-N 2 0 355.295 3.862 20 0 FHADRP CC[NH+](CC)CCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513196409 941771373 /nfs/dbraw/zinc/77/13/73/941771373.db2.gz ONQZGVPTFMPCTJ-SFHVURJKSA-N 2 0 358.448 3.729 20 0 FHADRP C[C@@H]([NH2+]CCC[NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513214911 941785047 /nfs/dbraw/zinc/78/50/47/941785047.db2.gz KUOQARZOLJBDTA-HUUCEWRRSA-N 2 0 362.481 3.831 20 0 FHADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000513233775 941789993 /nfs/dbraw/zinc/78/99/93/941789993.db2.gz OLSVCCYXIMNGTE-UYAOXDASSA-N 2 0 365.606 3.509 20 0 FHADRP CC(C)(C)OC(=O)N1CCC(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000695275351 941813166 /nfs/dbraw/zinc/81/31/66/941813166.db2.gz TZKZTWBWZLMIGH-UHFFFAOYSA-N 2 0 367.578 3.876 20 0 FHADRP C[C@H](CC[NH2+]C1CCN(c2nccs2)CC1)[N@H+](C)Cc1ccccc1 ZINC000513330204 941855900 /nfs/dbraw/zinc/85/59/00/941855900.db2.gz JQXRYUGDZYNEPL-QGZVFWFLSA-N 2 0 358.555 3.612 20 0 FHADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000066795625 941857151 /nfs/dbraw/zinc/85/71/51/941857151.db2.gz WJRHZZHNNFVSQG-UHFFFAOYSA-N 2 0 358.436 3.856 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)nc1 ZINC000893018147 941891886 /nfs/dbraw/zinc/89/18/86/941891886.db2.gz FIWWPIIXNKLKLQ-UHFFFAOYSA-N 2 0 351.450 3.605 20 0 FHADRP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513408493 941902867 /nfs/dbraw/zinc/90/28/67/941902867.db2.gz NKOZPFBNPQQEQY-JKSUJKDBSA-N 2 0 361.496 3.646 20 0 FHADRP CCOc1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000377700461 941910946 /nfs/dbraw/zinc/91/09/46/941910946.db2.gz NEIRKBNFONODDA-UHFFFAOYSA-N 2 0 355.482 3.590 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(-c4ccc(C)cc4)c3)C2)CC1 ZINC000513451073 941938282 /nfs/dbraw/zinc/93/82/82/941938282.db2.gz NSMQDOCYXRMOJP-DEOSSOPVSA-N 2 0 363.549 3.874 20 0 FHADRP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000311991134 941938971 /nfs/dbraw/zinc/93/89/71/941938971.db2.gz PZCLUCMDTAMLSS-UGKGYDQZSA-N 2 0 356.485 3.751 20 0 FHADRP C[C@@H]1C[C@@H](NC[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462629 941941263 /nfs/dbraw/zinc/94/12/63/941941263.db2.gz FVJMQKWQFQCPSP-WTIAFYNJSA-N 2 0 351.538 3.932 20 0 FHADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)CC1 ZINC000093133409 941949960 /nfs/dbraw/zinc/94/99/60/941949960.db2.gz CDCMMGFTEVHXFD-IBGZPJMESA-N 2 0 373.541 3.766 20 0 FHADRP [NH3+]CCCN(c1ccccc1F)C1CC[NH+](CCc2ccccc2)CC1 ZINC000462064600 941951614 /nfs/dbraw/zinc/95/16/14/941951614.db2.gz CGCFCSPUEMVRBR-UHFFFAOYSA-N 2 0 355.501 3.688 20 0 FHADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc3c2OCO3)C[N@@H+]1Cc1ccccc1 ZINC000513502465 941974117 /nfs/dbraw/zinc/97/41/17/941974117.db2.gz ZYZYHUDIJWSVJN-PKOBYXMFSA-N 2 0 352.478 3.806 20 0 FHADRP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537524 941994271 /nfs/dbraw/zinc/99/42/71/941994271.db2.gz AHDJFWYOJOOFLD-QVKFZJNVSA-N 2 0 372.459 3.963 20 0 FHADRP Cc1ncc(CN2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)[C@@H](C)C2)s1 ZINC000377793492 941995957 /nfs/dbraw/zinc/99/59/57/941995957.db2.gz SJYCKNPHZBDNMK-KPZWWZAWSA-N 2 0 351.466 3.730 20 0 FHADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000513632928 942047183 /nfs/dbraw/zinc/04/71/83/942047183.db2.gz HXYOIFDDFMAPSB-KRWDZBQOSA-N 2 0 354.494 3.586 20 0 FHADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513656723 942059547 /nfs/dbraw/zinc/05/95/47/942059547.db2.gz WVLBEKCVTXJXKA-RRQGHBQHSA-N 2 0 355.295 3.593 20 0 FHADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415896246 942123026 /nfs/dbraw/zinc/12/30/26/942123026.db2.gz DENFXPGAURFGAL-UHFFFAOYSA-N 2 0 374.554 3.843 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000415899333 942125513 /nfs/dbraw/zinc/12/55/13/942125513.db2.gz JNFOROXGQHVDMU-JXFKEZNVSA-N 2 0 354.498 3.527 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000415905311 942131279 /nfs/dbraw/zinc/13/12/79/942131279.db2.gz IBDAOZNOASUYLW-UHFFFAOYSA-N 2 0 368.525 3.912 20 0 FHADRP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000415905205 942131364 /nfs/dbraw/zinc/13/13/64/942131364.db2.gz TXJVPRLHEZWWPQ-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000415905879 942134058 /nfs/dbraw/zinc/13/40/58/942134058.db2.gz JCHQLKQIUHAUCY-QUCCMNQESA-N 2 0 372.557 3.914 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cccc(C[NH2+]C)c2)c1 ZINC000415921542 942148153 /nfs/dbraw/zinc/14/81/53/942148153.db2.gz RPGKYFWVBIFRJN-UHFFFAOYSA-N 2 0 354.498 3.570 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000415920775 942148424 /nfs/dbraw/zinc/14/84/24/942148424.db2.gz PLDHHBQUBMTMFK-FQEVSTJZSA-N 2 0 358.530 3.715 20 0 FHADRP C[NH2+]Cc1cccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415923198 942149900 /nfs/dbraw/zinc/14/99/00/942149900.db2.gz VSTLPTGGIVKFRW-UHFFFAOYSA-N 2 0 366.509 3.534 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415924346 942151575 /nfs/dbraw/zinc/15/15/75/942151575.db2.gz WHYJCNPJWDTKOE-WMZOPIPTSA-N 2 0 358.530 3.571 20 0 FHADRP CC[C@@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@@H+]1Cc1ccccc1 ZINC000415919373 942155688 /nfs/dbraw/zinc/15/56/88/942155688.db2.gz HRLMDPFCFVIGNB-HXUWFJFHSA-N 2 0 366.509 3.534 20 0 FHADRP CCC[N@H+](CCCC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000647882855 942165510 /nfs/dbraw/zinc/16/55/10/942165510.db2.gz HWIIQWVJBMDFSF-UHFFFAOYSA-N 2 0 371.569 3.783 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000415941016 942171872 /nfs/dbraw/zinc/17/18/72/942171872.db2.gz FZZNMDRZLAQRDO-OAQYLSRUSA-N 2 0 368.525 3.783 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000415942945 942173950 /nfs/dbraw/zinc/17/39/50/942173950.db2.gz KZHXJIQEKJZSGV-UHFFFAOYSA-N 2 0 366.509 3.714 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000415944058 942175617 /nfs/dbraw/zinc/17/56/17/942175617.db2.gz NRFHKETXEQNQAD-IRXDYDNUSA-N 2 0 360.546 3.674 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000415949721 942185833 /nfs/dbraw/zinc/18/58/33/942185833.db2.gz GJJSJHCQTLMDBO-UHFFFAOYSA-N 2 0 372.557 3.916 20 0 FHADRP CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415957010 942188561 /nfs/dbraw/zinc/18/85/61/942188561.db2.gz SPGHMAGVJXLNLC-UHFFFAOYSA-N 2 0 374.451 3.750 20 0 FHADRP CCCC[NH+]1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415963879 942203014 /nfs/dbraw/zinc/20/30/14/942203014.db2.gz WJSPINKRXUAXLS-UHFFFAOYSA-N 2 0 372.435 3.550 20 0 FHADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000415958870 942207140 /nfs/dbraw/zinc/20/71/40/942207140.db2.gz RTYLZIPNNNBIDC-FQEVSTJZSA-N 2 0 372.557 3.962 20 0 FHADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415970065 942215272 /nfs/dbraw/zinc/21/52/72/942215272.db2.gz GWEINQUTYAIZPW-UHFFFAOYSA-N 2 0 354.498 3.522 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000415979944 942224169 /nfs/dbraw/zinc/22/41/69/942224169.db2.gz FJXDSWFQUZBMAA-UZLBHIALSA-N 2 0 354.498 3.527 20 0 FHADRP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000415974846 942227081 /nfs/dbraw/zinc/22/70/81/942227081.db2.gz RQLAYHBVZZSHDY-UHFFFAOYSA-N 2 0 354.498 3.568 20 0 FHADRP C[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500985164 942246462 /nfs/dbraw/zinc/24/64/62/942246462.db2.gz QQEXRIQSAJHZNX-INIZCTEOSA-N 2 0 371.491 3.767 20 0 FHADRP [NH3+]CCN(c1ccc2ccccc2n1)C1CC[NH+](C2CCCCC2)CC1 ZINC000414480550 942262775 /nfs/dbraw/zinc/26/27/75/942262775.db2.gz BFRHDMGFMDBXQJ-UHFFFAOYSA-N 2 0 352.526 3.797 20 0 FHADRP CCOc1ccccc1OCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501020563 942266215 /nfs/dbraw/zinc/26/62/15/942266215.db2.gz LZZDFDKDJQGTCY-UHFFFAOYSA-N 2 0 369.509 3.708 20 0 FHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000501058815 942282093 /nfs/dbraw/zinc/28/20/93/942282093.db2.gz JNTOWMLGJAYTEK-QHCPKHFHSA-N 2 0 369.528 3.921 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc4ccc(C)cc4c3)CC2)CC1 ZINC000420973006 942286099 /nfs/dbraw/zinc/28/60/99/942286099.db2.gz BTDFGXZCUAUQBH-UHFFFAOYSA-N 2 0 366.553 3.535 20 0 FHADRP C[N@H+](CCOc1ccccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066325 942286693 /nfs/dbraw/zinc/28/66/93/942286693.db2.gz DKPSUDLVWOARDW-UHFFFAOYSA-N 2 0 359.901 3.962 20 0 FHADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1OC ZINC000501105696 942309583 /nfs/dbraw/zinc/30/95/83/942309583.db2.gz LACCXMGRWLFBFR-HXUWFJFHSA-N 2 0 361.574 3.884 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000502270107 942321976 /nfs/dbraw/zinc/32/19/76/942321976.db2.gz QLFONQXJQZYZSH-JQVVWYNYSA-N 2 0 372.553 3.735 20 0 FHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccsc21 ZINC000501195341 942345805 /nfs/dbraw/zinc/34/58/05/942345805.db2.gz MYHZXVKXBMHDFE-QGZVFWFLSA-N 2 0 374.554 3.781 20 0 FHADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000421080123 942347372 /nfs/dbraw/zinc/34/73/72/942347372.db2.gz DAFNTDOVLPVVBY-NRFANRHFSA-N 2 0 372.557 3.519 20 0 FHADRP C[NH+](C)[C@H](CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000416136569 942379945 /nfs/dbraw/zinc/37/99/45/942379945.db2.gz LYRQSQSUQJJIRC-JOCHJYFZSA-N 2 0 365.521 3.592 20 0 FHADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501358976 942432276 /nfs/dbraw/zinc/43/22/76/942432276.db2.gz BVYNVLISQTYFBS-FDFHNCONSA-N 2 0 371.569 3.666 20 0 FHADRP FC(F)(F)c1cc(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414825307 942453093 /nfs/dbraw/zinc/45/30/93/942453093.db2.gz HCPNAVBQGMPVKY-SNVBAGLBSA-N 2 0 351.210 3.557 20 0 FHADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829968 942480584 /nfs/dbraw/zinc/48/05/84/942480584.db2.gz BSCXFFRAUKXJEU-QWRGUYRKSA-N 2 0 365.827 3.521 20 0 FHADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501468685 942490243 /nfs/dbraw/zinc/49/02/43/942490243.db2.gz CLDMXQVYCFMSCB-IRLDBZIGSA-N 2 0 367.537 3.881 20 0 FHADRP CCCN1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000421355781 942505264 /nfs/dbraw/zinc/50/52/64/942505264.db2.gz VCKRWFFXZPDZLO-QGZVFWFLSA-N 2 0 351.579 3.514 20 0 FHADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421367582 942519058 /nfs/dbraw/zinc/51/90/58/942519058.db2.gz FCONQLBTRUHTDS-ODIFPOPNSA-N 2 0 351.922 3.828 20 0 FHADRP Cc1nc(COc2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)cc2)cs1 ZINC000421369536 942519737 /nfs/dbraw/zinc/51/97/37/942519737.db2.gz HZBOXPCRPHOFID-UHFFFAOYSA-N 2 0 359.539 3.993 20 0 FHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc4nc(C)sc4c3)CC2)CC1 ZINC000421368852 942520806 /nfs/dbraw/zinc/52/08/06/942520806.db2.gz GTNFCEGATOKUBG-UHFFFAOYSA-N 2 0 372.582 3.597 20 0 FHADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000421375466 942525722 /nfs/dbraw/zinc/52/57/22/942525722.db2.gz PCFBSQYANCNMPB-HWOWSKLDSA-N 2 0 351.332 3.769 20 0 FHADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000416249400 942540005 /nfs/dbraw/zinc/54/00/05/942540005.db2.gz XMILNDLCRNYEPC-JOCHJYFZSA-N 2 0 363.505 3.622 20 0 FHADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414840232 942555201 /nfs/dbraw/zinc/55/52/01/942555201.db2.gz MVEBNSSKIAZZKW-GOSISDBHSA-N 2 0 354.494 3.754 20 0 FHADRP FC(F)(F)c1cc(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414842883 942569400 /nfs/dbraw/zinc/56/94/00/942569400.db2.gz ZSHBQYOBOXZGSR-SNVBAGLBSA-N 2 0 351.210 3.557 20 0 FHADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000893206516 942594303 /nfs/dbraw/zinc/59/43/03/942594303.db2.gz FUOKXPSHCNZBQW-IVLYMFBOSA-N 2 0 358.526 3.527 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000420295398 942598309 /nfs/dbraw/zinc/59/83/09/942598309.db2.gz AGBJUESCZYVKPJ-HXUWFJFHSA-N 2 0 354.494 3.529 20 0 FHADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414522319 942604997 /nfs/dbraw/zinc/60/49/97/942604997.db2.gz GQKWLRTUIWZJJG-RTBURBONSA-N 2 0 362.583 3.523 20 0 FHADRP CC[NH2+]CC1CC[NH+](CC2(COc3cccc(COC)c3)CCC2)CC1 ZINC000420291223 942607632 /nfs/dbraw/zinc/60/76/32/942607632.db2.gz MYVVEXORNMIGNV-UHFFFAOYSA-N 2 0 360.542 3.704 20 0 FHADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000420292585 942608503 /nfs/dbraw/zinc/60/85/03/942608503.db2.gz LTHMIKLSVRLYRF-FOIQADDNSA-N 2 0 355.457 3.565 20 0 FHADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420305871 942612949 /nfs/dbraw/zinc/61/29/49/942612949.db2.gz GXPBGIDFRVAVPZ-JXFKEZNVSA-N 2 0 355.457 3.566 20 0 FHADRP FC1(F)CCC[C@H](C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000420307537 942613107 /nfs/dbraw/zinc/61/31/07/942613107.db2.gz IZHOVMYUKRAMEZ-GJZGRUSLSA-N 2 0 355.498 3.913 20 0 FHADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420309978 942615398 /nfs/dbraw/zinc/61/53/98/942615398.db2.gz LVEYWPMHCUPQJW-GOSISDBHSA-N 2 0 363.505 3.511 20 0 FHADRP Cc1ccc(C)c(OCCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420312107 942616073 /nfs/dbraw/zinc/61/60/73/942616073.db2.gz OHVACESFOXZVGZ-OAQYLSRUSA-N 2 0 353.510 3.722 20 0 FHADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nc(C)c(C)s3)C2)cc1 ZINC000420321226 942620910 /nfs/dbraw/zinc/62/09/10/942620910.db2.gz QXUUHBKVUWJTMW-QZTJIDSGSA-N 2 0 359.539 3.690 20 0 FHADRP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)ccc1F ZINC000420320349 942621336 /nfs/dbraw/zinc/62/13/36/942621336.db2.gz BIZLDAOENQGXQP-XIRDDKMYSA-N 2 0 358.461 3.567 20 0 FHADRP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420339967 942623962 /nfs/dbraw/zinc/62/39/62/942623962.db2.gz RQJPGJLFVNZTLR-FQEVSTJZSA-N 2 0 360.505 3.965 20 0 FHADRP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327925 942630292 /nfs/dbraw/zinc/63/02/92/942630292.db2.gz LSWXBKUKPFMAQX-BMFZPTHFSA-N 2 0 360.889 3.773 20 0 FHADRP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332010 942631588 /nfs/dbraw/zinc/63/15/88/942631588.db2.gz RDJFNCIOWMVSRZ-GJZGRUSLSA-N 2 0 358.507 3.509 20 0 FHADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1)CCC2 ZINC000420365398 942640480 /nfs/dbraw/zinc/64/04/80/942640480.db2.gz SAKQIQXBJJJHOY-QAPCUYQASA-N 2 0 359.539 3.766 20 0 FHADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000420366219 942640958 /nfs/dbraw/zinc/64/09/58/942640958.db2.gz FUUPNHLOZIBWLM-FPOVZHCZSA-N 2 0 372.484 3.558 20 0 FHADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000420372316 942644128 /nfs/dbraw/zinc/64/41/28/942644128.db2.gz FCGSGJCVJKWLRL-FYYLOGMGSA-N 2 0 368.521 3.827 20 0 FHADRP CC(C)Oc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000420376563 942645237 /nfs/dbraw/zinc/64/52/37/942645237.db2.gz JYVWRULERKZGCR-UYAOXDASSA-N 2 0 366.933 3.846 20 0 FHADRP Clc1ccc(CCN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000420377539 942645507 /nfs/dbraw/zinc/64/55/07/942645507.db2.gz SIFUOTADRPTZPT-QGZVFWFLSA-N 2 0 370.368 3.543 20 0 FHADRP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420377989 942646226 /nfs/dbraw/zinc/64/62/26/942646226.db2.gz TZDBQZAYTIRSGJ-RVKKMQEKSA-N 2 0 367.331 3.601 20 0 FHADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420388595 942650668 /nfs/dbraw/zinc/65/06/68/942650668.db2.gz XDDQLAUUYJTTIL-JEBQAFNWSA-N 2 0 356.432 3.985 20 0 FHADRP C[C@H](c1ccccc1Br)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420388530 942651079 /nfs/dbraw/zinc/65/10/79/942651079.db2.gz LDGAXBHEJGZLRH-XUWXXGDYSA-N 2 0 367.331 3.728 20 0 FHADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000420398454 942655258 /nfs/dbraw/zinc/65/52/58/942655258.db2.gz YSTUPMZEJQQUHK-MAUKXSAKSA-N 2 0 373.324 3.591 20 0 FHADRP CCN1CC[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420414599 942656847 /nfs/dbraw/zinc/65/68/47/942656847.db2.gz UMNNSMFGLOEESV-RTBURBONSA-N 2 0 353.913 3.594 20 0 FHADRP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000414532295 942661854 /nfs/dbraw/zinc/66/18/54/942661854.db2.gz UOZCWZLCWUTLAC-HNNXBMFYSA-N 2 0 357.464 3.895 20 0 FHADRP CCC[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000501787556 942672323 /nfs/dbraw/zinc/67/23/23/942672323.db2.gz YUQBFGCORVGFGJ-OAQYLSRUSA-N 2 0 359.558 3.698 20 0 FHADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501794958 942681807 /nfs/dbraw/zinc/68/18/07/942681807.db2.gz MKFCINCHCQHLOL-OAQYLSRUSA-N 2 0 359.558 3.650 20 0 FHADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)nn1C ZINC000502725465 942696089 /nfs/dbraw/zinc/69/60/89/942696089.db2.gz UVTYWFKWDOGKQD-INIZCTEOSA-N 2 0 360.933 3.945 20 0 FHADRP C[NH+](C)Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1 ZINC000425084876 942700133 /nfs/dbraw/zinc/70/01/33/942700133.db2.gz RQQOZEMSNIWRGM-UHFFFAOYSA-N 2 0 372.538 3.614 20 0 FHADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000502750789 942717489 /nfs/dbraw/zinc/71/74/89/942717489.db2.gz YBOWQJBTXFUHRT-OTWHNJEPSA-N 2 0 374.573 3.678 20 0 FHADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000434590667 942772959 /nfs/dbraw/zinc/77/29/59/942772959.db2.gz BLMTZVIPBYCOJH-UHFFFAOYSA-N 2 0 363.521 3.907 20 0 FHADRP FC(F)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Br ZINC000414848159 942781746 /nfs/dbraw/zinc/78/17/46/942781746.db2.gz KDSWUXLEGPFLPV-LLVKDONJSA-N 2 0 363.246 3.530 20 0 FHADRP CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414552033 942817069 /nfs/dbraw/zinc/81/70/69/942817069.db2.gz GGJIENMOYOQYAD-WIYYLYMNSA-N 2 0 371.569 3.690 20 0 FHADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCO[C@H]1CCCCO1 ZINC000514238523 942853086 /nfs/dbraw/zinc/85/30/86/942853086.db2.gz FMOHEILXSCAQBL-YUVXSKOASA-N 2 0 360.542 3.666 20 0 FHADRP COC(=O)[C@@H](c1ccccc1C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687258 942865431 /nfs/dbraw/zinc/86/54/31/942865431.db2.gz CPPDDASPYFQONL-HXUWFJFHSA-N 2 0 367.493 3.622 20 0 FHADRP C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378569167 942901948 /nfs/dbraw/zinc/90/19/48/942901948.db2.gz PQBFSIWDCPLLSK-DFQSSKMNSA-N 2 0 363.505 3.613 20 0 FHADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000582050939 942916133 /nfs/dbraw/zinc/91/61/33/942916133.db2.gz QVDJKTDFGIIZSF-KXBFYZLASA-N 2 0 370.522 3.556 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000430110459 942922455 /nfs/dbraw/zinc/92/24/55/942922455.db2.gz YRLXEDRVFAYFEP-VQTJNVASSA-N 2 0 363.496 3.696 20 0 FHADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000503072206 942956381 /nfs/dbraw/zinc/95/63/81/942956381.db2.gz ATSCMMIBDQVXOV-JOCHJYFZSA-N 2 0 352.522 3.945 20 0 FHADRP COC[C@@H]([NH2+]CCCCCC[NH2+][C@H](COC)c1ccco1)c1ccco1 ZINC000273532034 942979404 /nfs/dbraw/zinc/97/94/04/942979404.db2.gz TUWMJNRIWZALFP-QZTJIDSGSA-N 2 0 364.486 3.687 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000272178629 943106875 /nfs/dbraw/zinc/10/68/75/943106875.db2.gz LCRLJHOQRKPYMJ-SFHVURJKSA-N 2 0 359.558 3.719 20 0 FHADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000414654795 943108550 /nfs/dbraw/zinc/10/85/50/943108550.db2.gz CPBADUWPBPKMSM-UHFFFAOYSA-N 2 0 360.933 3.964 20 0 FHADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414655592 943111507 /nfs/dbraw/zinc/11/15/07/943111507.db2.gz DIBXEDFIUQTNRA-QUCCMNQESA-N 2 0 360.505 3.768 20 0 FHADRP CC[N@H+](CCC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1)CC1CC1 ZINC000503314917 943119861 /nfs/dbraw/zinc/11/98/61/943119861.db2.gz OZYKIAJEWNYSGF-NRFANRHFSA-N 2 0 363.590 3.612 20 0 FHADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000414658712 943125185 /nfs/dbraw/zinc/12/51/85/943125185.db2.gz RHLOFGUQULPCIA-GFCCVEGCSA-N 2 0 351.313 3.958 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000414672491 943191076 /nfs/dbraw/zinc/19/10/76/943191076.db2.gz PNHWTENFKVMYAI-DBVUQKKJSA-N 2 0 362.477 3.610 20 0 FHADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674908 943200349 /nfs/dbraw/zinc/20/03/49/943200349.db2.gz SJPYTFYPDHVPQZ-CWFSZBLJSA-N 2 0 358.917 3.702 20 0 FHADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)CC1 ZINC000272800354 943223990 /nfs/dbraw/zinc/22/39/90/943223990.db2.gz BFAOUWIFTCREOX-IBGZPJMESA-N 2 0 361.549 3.637 20 0 FHADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c2ccccc21 ZINC000422703265 943239199 /nfs/dbraw/zinc/23/91/99/943239199.db2.gz HJEDYBVFNSHBSN-KYNGSXCRSA-N 2 0 372.310 3.762 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC[NH2+]CC1 ZINC000422708969 943242277 /nfs/dbraw/zinc/24/22/77/943242277.db2.gz CNUATFDDCRWWKW-BEFAXECRSA-N 2 0 362.489 3.578 20 0 FHADRP Clc1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422709430 943242997 /nfs/dbraw/zinc/24/29/97/943242997.db2.gz DGPRIIFHRKLPKY-AZUAARDMSA-N 2 0 358.869 3.564 20 0 FHADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422713327 943252438 /nfs/dbraw/zinc/25/24/38/943252438.db2.gz POBSKKLGPKCOMY-HNNXBMFYSA-N 2 0 357.464 3.777 20 0 FHADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000416968043 943255369 /nfs/dbraw/zinc/25/53/69/943255369.db2.gz IERWXIHTJWVRSM-KRWDZBQOSA-N 2 0 368.525 3.546 20 0 FHADRP CC(C)(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(F)c1 ZINC000422759104 943262519 /nfs/dbraw/zinc/26/25/19/943262519.db2.gz KGLXFYJGYPTXQA-SIKLNZKXSA-N 2 0 354.469 3.949 20 0 FHADRP Fc1ccc2[nH]cc(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)c2c1 ZINC000422759986 943263005 /nfs/dbraw/zinc/26/30/05/943263005.db2.gz LIRCHKIAMFJGPN-RBBKRZOGSA-N 2 0 365.452 3.695 20 0 FHADRP c1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000422741390 943267236 /nfs/dbraw/zinc/26/72/36/943267236.db2.gz DJTMHMFTXFTERI-HARLFGEKSA-N 2 0 363.505 3.501 20 0 FHADRP c1ccc(N2CCC([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422743309 943269057 /nfs/dbraw/zinc/26/90/57/943269057.db2.gz TVGHMHMPTXYRRH-GMAHTHKFSA-N 2 0 363.505 3.501 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000422748862 943270699 /nfs/dbraw/zinc/27/06/99/943270699.db2.gz WNTGUGRJUZRHPA-SJLPKXTDSA-N 2 0 352.526 3.725 20 0 FHADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000416983241 943274370 /nfs/dbraw/zinc/27/43/70/943274370.db2.gz NGMNNLWUDBKZAX-QGZVFWFLSA-N 2 0 368.525 3.548 20 0 FHADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC[NH2+]CC1 ZINC000422773335 943277485 /nfs/dbraw/zinc/27/74/85/943277485.db2.gz YJIDKUFHMCEDST-KDOFPFPSSA-N 2 0 364.917 3.702 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])c2ccc(OC)cc2)cc1 ZINC000422775060 943278357 /nfs/dbraw/zinc/27/83/57/943278357.db2.gz ZSINUZNWADAYQW-BWAGFHJFSA-N 2 0 354.494 3.705 20 0 FHADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422784507 943281620 /nfs/dbraw/zinc/28/16/20/943281620.db2.gz MHZFAVJUSXOTMM-PCCBWWKXSA-N 2 0 361.961 3.815 20 0 FHADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422784657 943281684 /nfs/dbraw/zinc/28/16/84/943281684.db2.gz IZTCVJOLZRQBJA-MDNUFGMLSA-N 2 0 366.553 3.949 20 0 FHADRP CCOc1cccc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422783601 943281862 /nfs/dbraw/zinc/28/18/62/943281862.db2.gz OMBVYJRTJCLBRB-XUEUYAKLSA-N 2 0 352.478 3.992 20 0 FHADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c2ccc(OC)cc2)cc1 ZINC000422762623 943284146 /nfs/dbraw/zinc/28/41/46/943284146.db2.gz ILNUPFBAWAEYBG-ZQMYSKGWSA-N 2 0 368.521 3.965 20 0 FHADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000422800259 943287876 /nfs/dbraw/zinc/28/78/76/943287876.db2.gz AYQVUKZVBUOUEX-KGLIPLIRSA-N 2 0 372.431 3.677 20 0 FHADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000422813095 943292607 /nfs/dbraw/zinc/29/26/07/943292607.db2.gz RLAGHQHQVSHLJY-ARFHVFGLSA-N 2 0 354.441 3.697 20 0 FHADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422831283 943298907 /nfs/dbraw/zinc/29/89/07/943298907.db2.gz DKQUGDGMSIBBDI-OKZBNKHCSA-N 2 0 362.514 3.503 20 0 FHADRP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422830892 943298984 /nfs/dbraw/zinc/29/89/84/943298984.db2.gz DGTAREKKCHASMR-SLFFLAALSA-N 2 0 357.542 3.564 20 0 FHADRP c1ccc(COCCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422839795 943302045 /nfs/dbraw/zinc/30/20/45/943302045.db2.gz RJKYZKCWCFPZPU-GGAORHGYSA-N 2 0 366.505 3.829 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c(OC)c1 ZINC000422867463 943311385 /nfs/dbraw/zinc/31/13/85/943311385.db2.gz SIKMKLSRFBWTGJ-RLLQIKCJSA-N 2 0 371.525 3.628 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c(OC)c1 ZINC000422867461 943311689 /nfs/dbraw/zinc/31/16/89/943311689.db2.gz SIKMKLSRFBWTGJ-DFQSSKMNSA-N 2 0 371.525 3.628 20 0 FHADRP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422845042 943312223 /nfs/dbraw/zinc/31/22/23/943312223.db2.gz ATZVGSLQGMNQBM-DENIHFKCSA-N 2 0 354.469 3.949 20 0 FHADRP Clc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843424 943312299 /nfs/dbraw/zinc/31/22/99/943312299.db2.gz IFPGVYIJFUAHTQ-NCYKPQTJSA-N 2 0 361.961 3.987 20 0 FHADRP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000422845043 943312324 /nfs/dbraw/zinc/31/23/24/943312324.db2.gz ATZVGSLQGMNQBM-KNQAVFIVSA-N 2 0 354.469 3.949 20 0 FHADRP Clc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422843421 943312382 /nfs/dbraw/zinc/31/23/82/943312382.db2.gz IFPGVYIJFUAHTQ-BQJUDKOJSA-N 2 0 361.961 3.987 20 0 FHADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)c[nH]c2c1 ZINC000422843981 943312392 /nfs/dbraw/zinc/31/23/92/943312392.db2.gz KLJWSLUZJOZEJR-GMAHTHKFSA-N 2 0 361.489 3.864 20 0 FHADRP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CCC(C[NH3+])CC3)c2)cc1 ZINC000422876380 943313679 /nfs/dbraw/zinc/31/36/79/943313679.db2.gz GJIGLFMGRRABOD-UHFFFAOYSA-N 2 0 365.521 3.532 20 0 FHADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422878011 943314271 /nfs/dbraw/zinc/31/42/71/943314271.db2.gz IQFHRYSKGBIYCC-HRCADAONSA-N 2 0 357.473 3.783 20 0 FHADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC(F)F ZINC000422878861 943314431 /nfs/dbraw/zinc/31/44/31/943314431.db2.gz KYPDNHSSVZFBHZ-HOCLYGCPSA-N 2 0 356.457 3.740 20 0 FHADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000422882347 943315536 /nfs/dbraw/zinc/31/55/36/943315536.db2.gz RZYGGIUITZACRU-CEMLEFRQSA-N 2 0 356.554 3.944 20 0 FHADRP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc(OC)c1OC ZINC000422882025 943315781 /nfs/dbraw/zinc/31/57/81/943315781.db2.gz OTTUCERXCLKLMQ-ZOBUZTSGSA-N 2 0 350.503 3.674 20 0 FHADRP CC[C@H](C)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422882499 943316520 /nfs/dbraw/zinc/31/65/20/943316520.db2.gz AUXCUNOVXGRTDG-VWNVYAMZSA-N 2 0 373.585 3.598 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422883521 943316897 /nfs/dbraw/zinc/31/68/97/943316897.db2.gz QOXMLXDNDWHCGU-JRGCBEDISA-N 2 0 369.578 3.825 20 0 FHADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000422884677 943317808 /nfs/dbraw/zinc/31/78/08/943317808.db2.gz SOMVCOQXULSBBK-QINHECLXSA-N 2 0 358.530 3.932 20 0 FHADRP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cc2c(OC)c1 ZINC000422870278 943320852 /nfs/dbraw/zinc/32/08/52/943320852.db2.gz XNGOOOBRPAVJOU-VQTJNVASSA-N 2 0 365.477 3.852 20 0 FHADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(O[C@@H]2CCOC2)c1 ZINC000422871539 943321831 /nfs/dbraw/zinc/32/18/31/943321831.db2.gz DAMPBEVDBJUJPO-XRXFAXGQSA-N 2 0 358.526 3.563 20 0 FHADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000422905182 943325607 /nfs/dbraw/zinc/32/56/07/943325607.db2.gz RMXJOUJWYZKYCB-QGZVFWFLSA-N 2 0 358.448 3.861 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414702362 943325818 /nfs/dbraw/zinc/32/58/18/943325818.db2.gz BBHSNZGCYDGELT-MJGOQNOKSA-N 2 0 370.541 3.524 20 0 FHADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905702 943326749 /nfs/dbraw/zinc/32/67/49/943326749.db2.gz ITGVMIDSXJRJHH-AQZBRGQLSA-N 2 0 363.549 3.730 20 0 FHADRP c1ccc(SC2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCC2)cc1 ZINC000422912473 943329057 /nfs/dbraw/zinc/32/90/57/943329057.db2.gz WFXHPHPRIFRBNL-HSALFYBXSA-N 2 0 360.567 3.838 20 0 FHADRP Cc1ccc(OCCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422894051 943330709 /nfs/dbraw/zinc/33/07/09/943330709.db2.gz BLSDOPHIQGKHHL-FYYLOGMGSA-N 2 0 366.505 4.000 20 0 FHADRP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414704185 943332840 /nfs/dbraw/zinc/33/28/40/943332840.db2.gz CVLFRBRRDJWGKK-IBGZPJMESA-N 2 0 358.530 3.667 20 0 FHADRP Cc1ccc([C@H]([NH2+][C@@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422927075 943333882 /nfs/dbraw/zinc/33/38/82/943333882.db2.gz YDHNGEIHMVYZIF-LAUBAEHRSA-N 2 0 374.550 3.513 20 0 FHADRP Cc1ccc([C@@H]([NH2+][C@H](C)CCC[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000422927076 943334066 /nfs/dbraw/zinc/33/40/66/943334066.db2.gz YDHNGEIHMVYZIF-UTKZUKDTSA-N 2 0 374.550 3.513 20 0 FHADRP O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422929906 943335071 /nfs/dbraw/zinc/33/50/71/943335071.db2.gz AJZBHNNUPLLLQU-CEXWTWQISA-N 2 0 363.933 3.959 20 0 FHADRP O=C(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000422929908 943335253 /nfs/dbraw/zinc/33/52/53/943335253.db2.gz AJZBHNNUPLLLQU-GBESFXJTSA-N 2 0 363.933 3.959 20 0 FHADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422939908 943339003 /nfs/dbraw/zinc/33/90/03/943339003.db2.gz GJWOXOYMCKBLCA-OFNKIYASSA-N 2 0 366.505 3.818 20 0 FHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422942174 943339573 /nfs/dbraw/zinc/33/95/73/943339573.db2.gz IWVXKIGLYTZFMW-HUUCEWRRSA-N 2 0 359.539 3.936 20 0 FHADRP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422940837 943339667 /nfs/dbraw/zinc/33/96/67/943339667.db2.gz JHRXVLGADWUUFC-SIKLNZKXSA-N 2 0 352.478 3.528 20 0 FHADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422962472 943342151 /nfs/dbraw/zinc/34/21/51/943342151.db2.gz CPQLBBOYFILFAX-FDDCHVKYSA-N 3 0 351.538 3.893 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000422962519 943342300 /nfs/dbraw/zinc/34/23/00/943342300.db2.gz CPQLBBOYFILFAX-JPYJTQIMSA-N 3 0 351.538 3.893 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000414707261 943342654 /nfs/dbraw/zinc/34/26/54/943342654.db2.gz HLRHGXUWFMKGDP-PKOBYXMFSA-N 2 0 370.541 3.524 20 0 FHADRP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422962620 943342845 /nfs/dbraw/zinc/34/28/45/943342845.db2.gz CWJJQJSQWXQPTH-KDXIVRHGSA-N 2 0 356.558 3.507 20 0 FHADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422964192 943342908 /nfs/dbraw/zinc/34/29/08/943342908.db2.gz KPPFVTAIKXARLL-KRWDZBQOSA-N 2 0 363.509 3.626 20 0 FHADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422947418 943345561 /nfs/dbraw/zinc/34/55/61/943345561.db2.gz QNIFUVBEHMTDDC-ZHALLVOQSA-N 2 0 358.551 3.972 20 0 FHADRP Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1Oc1ccc(F)cc1 ZINC000422952915 943347921 /nfs/dbraw/zinc/34/79/21/943347921.db2.gz CPXYVHDBXZGGLA-RYGJVYDSSA-N 2 0 358.457 3.768 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953135 943348314 /nfs/dbraw/zinc/34/83/14/943348314.db2.gz DHYMFPFEJFVYCF-HNNXBMFYSA-N 2 0 356.539 3.571 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422957585 943350212 /nfs/dbraw/zinc/35/02/12/943350212.db2.gz NMRQZZKJWWRYGC-JTQLQIEISA-N 2 0 352.251 3.601 20 0 FHADRP C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000414709476 943354799 /nfs/dbraw/zinc/35/47/99/943354799.db2.gz JZJAROZSANBOKK-IEBWSBKVSA-N 2 0 372.557 3.900 20 0 FHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435374234 943356091 /nfs/dbraw/zinc/35/60/91/943356091.db2.gz XAFOIUMMWVZLJP-KBXCAEBGSA-N 2 0 360.933 3.761 20 0 FHADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000422977341 943356525 /nfs/dbraw/zinc/35/65/25/943356525.db2.gz JRUMIJLJPTXEDR-HZPDHXFCSA-N 2 0 356.514 3.908 20 0 FHADRP c1ccc(COc2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)nc1 ZINC000435376669 943357079 /nfs/dbraw/zinc/35/70/79/943357079.db2.gz STAMSZYIVGNKFC-QFIPXVFZSA-N 2 0 351.494 3.625 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000435377583 943357843 /nfs/dbraw/zinc/35/78/43/943357843.db2.gz DCVXQGOCQXEPGS-WMLDXEAASA-N 2 0 357.885 3.761 20 0 FHADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000435371588 943364584 /nfs/dbraw/zinc/36/45/84/943364584.db2.gz NSCAAHZVWODVSJ-PKOBYXMFSA-N 2 0 352.526 3.784 20 0 FHADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423023129 943365416 /nfs/dbraw/zinc/36/54/16/943365416.db2.gz JAXWRBHORLFNMP-DKICVRJWSA-N 2 0 361.892 3.606 20 0 FHADRP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423019108 943365772 /nfs/dbraw/zinc/36/57/72/943365772.db2.gz TZAWAJCFIUOMHA-KLBWVBMESA-N 2 0 355.320 3.632 20 0 FHADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423019701 943366463 /nfs/dbraw/zinc/36/64/63/943366463.db2.gz WUYKQGFAJXNLKA-IOYVRGJCSA-N 2 0 370.468 3.747 20 0 FHADRP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423029665 943371472 /nfs/dbraw/zinc/37/14/72/943371472.db2.gz SHXWCRDZLQTQPQ-BHIFYINESA-N 2 0 356.558 3.550 20 0 FHADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423032687 943372475 /nfs/dbraw/zinc/37/24/75/943372475.db2.gz YJBNGUGCDMIRNV-YGRLFVJLSA-N 2 0 365.237 3.946 20 0 FHADRP COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OC(C)C ZINC000423056923 943377175 /nfs/dbraw/zinc/37/71/75/943377175.db2.gz YGJILOLQTSTZJT-VFNWGFHPSA-N 2 0 357.498 3.674 20 0 FHADRP CCc1nc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423102846 943390755 /nfs/dbraw/zinc/39/07/55/943390755.db2.gz ACQOAGHMEMHKCF-CEXWTWQISA-N 2 0 352.526 3.944 20 0 FHADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000423092168 943391512 /nfs/dbraw/zinc/39/15/12/943391512.db2.gz ATWYVKYJVPMSKZ-UZSDIVCKSA-N 2 0 352.453 3.917 20 0 FHADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423096530 943392910 /nfs/dbraw/zinc/39/29/10/943392910.db2.gz PDTXJFDCBDJDNA-XKCSPQBFSA-N 2 0 369.553 3.629 20 0 FHADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423097931 943393276 /nfs/dbraw/zinc/39/32/76/943393276.db2.gz RNAWCBIOICIQFD-WSMBLCCSSA-N 2 0 355.295 3.941 20 0 FHADRP COc1cccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1OC ZINC000435433646 943396925 /nfs/dbraw/zinc/39/69/25/943396925.db2.gz TWDPRJYJNOSCBM-LJQANCHMSA-N 2 0 372.534 3.910 20 0 FHADRP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423122393 943397474 /nfs/dbraw/zinc/39/74/74/943397474.db2.gz KOEJLENSRZUFLK-DYXWJJEUSA-N 2 0 372.896 3.873 20 0 FHADRP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)O2)cc1 ZINC000423124785 943398437 /nfs/dbraw/zinc/39/84/37/943398437.db2.gz PCXCFSNLICQGFX-WQJYWUQFSA-N 2 0 364.489 3.752 20 0 FHADRP CC(C)Oc1ccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423127860 943399934 /nfs/dbraw/zinc/39/99/34/943399934.db2.gz PTAADZFSTOYVEQ-NMNUPHIUSA-N 2 0 369.553 3.625 20 0 FHADRP FC(F)(F)c1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423103699 943400908 /nfs/dbraw/zinc/40/09/08/943400908.db2.gz XVYPEQMOCLHGLY-GPFWEFOESA-N 2 0 368.443 3.698 20 0 FHADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423104755 943401669 /nfs/dbraw/zinc/40/16/69/943401669.db2.gz MQAVCZREWWABFC-RJGXRXQPSA-N 2 0 371.569 3.560 20 0 FHADRP FC(F)(F)COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423106407 943401684 /nfs/dbraw/zinc/40/16/84/943401684.db2.gz ZWFMWDUDJCTACI-KSZLIROESA-N 2 0 356.432 3.681 20 0 FHADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000503885222 943402744 /nfs/dbraw/zinc/40/27/44/943402744.db2.gz KPKDSWMFKBEERW-NTZUZEMLSA-N 2 0 350.453 3.647 20 0 FHADRP COc1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000435422755 943402969 /nfs/dbraw/zinc/40/29/69/943402969.db2.gz QAQVZTBVELXWTA-FQEVSTJZSA-N 2 0 372.534 3.910 20 0 FHADRP Brc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)s1 ZINC000423113410 943405672 /nfs/dbraw/zinc/40/56/72/943405672.db2.gz YURKBUNVQOYJPJ-FUNVUKJBSA-N 2 0 355.345 3.805 20 0 FHADRP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000423146821 943408151 /nfs/dbraw/zinc/40/81/51/943408151.db2.gz BDMOFUMVFMQTQF-RBUKOAKNSA-N 2 0 370.493 3.770 20 0 FHADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423146814 943408171 /nfs/dbraw/zinc/40/81/71/943408171.db2.gz BCDMMHBFEGBTDH-FRYIKTPZSA-N 2 0 350.934 3.970 20 0 FHADRP c1nc(SC2CCCC2)ncc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423138992 943417182 /nfs/dbraw/zinc/41/71/82/943417182.db2.gz UTQGMCFXWJKDNX-XUVXKRRUSA-N 2 0 374.598 3.954 20 0 FHADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414719741 943418339 /nfs/dbraw/zinc/41/83/39/943418339.db2.gz ZMOLTWROBAUBIW-JOCHJYFZSA-N 2 0 370.541 3.668 20 0 FHADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000503933075 943423726 /nfs/dbraw/zinc/42/37/26/943423726.db2.gz WBXKRMFMBSTBBJ-GOSISDBHSA-N 2 0 366.933 3.719 20 0 FHADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171440 943424905 /nfs/dbraw/zinc/42/49/05/943424905.db2.gz OMLBOFOVFKFBPB-ZWDAVXSWSA-N 2 0 352.478 3.910 20 0 FHADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423171438 943425277 /nfs/dbraw/zinc/42/52/77/943425277.db2.gz OMLBOFOVFKFBPB-PERKRYKHSA-N 2 0 352.478 3.910 20 0 FHADRP Cc1ccc(Oc2ccccc2CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000423173426 943425684 /nfs/dbraw/zinc/42/56/84/943425684.db2.gz YNYVIKXFPDIMHA-JRGCBEDISA-N 2 0 354.494 3.672 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423213557 943433686 /nfs/dbraw/zinc/43/36/86/943433686.db2.gz NNLXZUMJZNTZCJ-ZWKOTPCHSA-N 2 0 364.493 3.564 20 0 FHADRP [NH3+]CCC[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423195457 943438588 /nfs/dbraw/zinc/43/85/88/943438588.db2.gz SOJFZGJAAVVTAF-CYBMUJFWSA-N 2 0 351.210 3.857 20 0 FHADRP Clc1ccccc1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423243068 943456671 /nfs/dbraw/zinc/45/66/71/943456671.db2.gz GDHVOBNKJUVIGP-YCRPNKLZSA-N 2 0 372.896 3.790 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423254128 943460626 /nfs/dbraw/zinc/46/06/26/943460626.db2.gz XFFKIBDSENBBFK-WMLDXEAASA-N 2 0 357.523 3.785 20 0 FHADRP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000423292964 943467478 /nfs/dbraw/zinc/46/74/78/943467478.db2.gz PDMIYOXVKQLGQP-HZPDHXFCSA-N 2 0 358.482 3.591 20 0 FHADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1([NH3+])CCC1 ZINC000423318845 943474374 /nfs/dbraw/zinc/47/43/74/943474374.db2.gz DVQCUSHEVMYVEH-JTQLQIEISA-N 2 0 363.811 3.547 20 0 FHADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423299366 943476082 /nfs/dbraw/zinc/47/60/82/943476082.db2.gz PXYJIOOWWKWZTK-NVXWUHKLSA-N 2 0 352.544 3.571 20 0 FHADRP C[C@H](CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000515052901 943477100 /nfs/dbraw/zinc/47/71/00/943477100.db2.gz OBGBDMDVMCXVIU-NRSPTQNISA-N 2 0 354.542 3.947 20 0 FHADRP CC1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000423333615 943482548 /nfs/dbraw/zinc/48/25/48/943482548.db2.gz QCVBECDMVVRBIX-OAHLLOKOSA-N 2 0 353.304 3.642 20 0 FHADRP COc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2Cl)cc1OC ZINC000423340371 943484078 /nfs/dbraw/zinc/48/40/78/943484078.db2.gz JLOLZCPOHMSCFE-NRFANRHFSA-N 2 0 372.896 3.956 20 0 FHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000515066347 943484396 /nfs/dbraw/zinc/48/43/96/943484396.db2.gz OXSICUYSHQHPRE-AKIFATBCSA-N 2 0 355.570 3.847 20 0 FHADRP COc1ccc(-c2nc3c(s2)[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CCC3)cc1 ZINC000423354273 943488450 /nfs/dbraw/zinc/48/84/50/943488450.db2.gz COUGUQNQYILIII-MZMPZRCHSA-N 2 0 357.523 3.784 20 0 FHADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306760 943495043 /nfs/dbraw/zinc/49/50/43/943495043.db2.gz GLOQNZSILDDPDH-ORYQWCPZSA-N 2 0 370.562 3.987 20 0 FHADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000423379032 943495520 /nfs/dbraw/zinc/49/55/20/943495520.db2.gz CQHNBOLMGCMCBF-OAQYLSRUSA-N 2 0 356.510 3.905 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000423390221 943499301 /nfs/dbraw/zinc/49/93/01/943499301.db2.gz JWGQOODHAOCYLV-XKQJLSEDSA-N 2 0 355.320 3.504 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423394960 943500526 /nfs/dbraw/zinc/50/05/26/943500526.db2.gz NASGKMPQCBLTOX-FSPWUOQZSA-N 2 0 367.331 3.504 20 0 FHADRP COCC1(C[NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC[NH2+]CC1 ZINC000423405546 943508052 /nfs/dbraw/zinc/50/80/52/943508052.db2.gz JPFCUZBHYJBCAN-QFIPXVFZSA-N 2 0 352.522 3.999 20 0 FHADRP C[N@@H+]1CCC[C@@H](CNCc2c[nH]cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281448 943508081 /nfs/dbraw/zinc/50/80/81/943508081.db2.gz UUCVOCIODGNVCA-YOEHRIQHSA-N 2 0 352.404 3.601 20 0 FHADRP COCC1(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]CC1 ZINC000423407235 943508722 /nfs/dbraw/zinc/50/87/22/943508722.db2.gz MDGUAPDQORSMSX-OAQYLSRUSA-N 2 0 365.477 3.523 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000423408206 943509125 /nfs/dbraw/zinc/50/91/25/943509125.db2.gz OGCYBDQOWGOXJW-QZTJIDSGSA-N 2 0 370.459 3.947 20 0 FHADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423407073 943509156 /nfs/dbraw/zinc/50/91/56/943509156.db2.gz VGPMMVORGDRONO-XYJYNPGVSA-N 2 0 355.345 3.820 20 0 FHADRP COCC1(C[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]CC1 ZINC000423411508 943510269 /nfs/dbraw/zinc/51/02/69/943510269.db2.gz URTXLSGPLWEPRU-MJGOQNOKSA-N 2 0 350.934 3.972 20 0 FHADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000423413059 943510851 /nfs/dbraw/zinc/51/08/51/943510851.db2.gz XXFJJERRSJLBDM-PKOBYXMFSA-N 2 0 350.934 3.657 20 0 FHADRP COc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423443644 943512463 /nfs/dbraw/zinc/51/24/63/943512463.db2.gz QNQWUKXORPUFSJ-BDTNDASRSA-N 2 0 354.469 3.901 20 0 FHADRP COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423443645 943512611 /nfs/dbraw/zinc/51/26/11/943512611.db2.gz QNQWUKXORPUFSJ-BHDDXSALSA-N 2 0 354.469 3.901 20 0 FHADRP C[C@H](c1ccc2ccccc2c1)[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414743361 943514208 /nfs/dbraw/zinc/51/42/08/943514208.db2.gz ITBOGRKRXCUVIQ-MSOLQXFVSA-N 2 0 365.521 3.563 20 0 FHADRP Brc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)s1 ZINC000423451740 943514517 /nfs/dbraw/zinc/51/45/17/943514517.db2.gz YNQYVTBRQJNFNI-WOSRLPQWSA-N 2 0 355.345 3.939 20 0 FHADRP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCS2 ZINC000423429586 943515946 /nfs/dbraw/zinc/51/59/46/943515946.db2.gz HGODISPOWDKOMM-NUEKZKHPSA-N 2 0 367.356 3.964 20 0 FHADRP CC[N@H+](Cc1cc(Br)cc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435616889 943517058 /nfs/dbraw/zinc/51/70/58/943517058.db2.gz MFKRPMDDGKAVRQ-KRWDZBQOSA-N 2 0 362.315 3.961 20 0 FHADRP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CCC2 ZINC000423461867 943522191 /nfs/dbraw/zinc/52/21/91/943522191.db2.gz CXSVCYKZAHLVEL-UCNVEGJOSA-N 2 0 354.469 3.892 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000423460871 943522237 /nfs/dbraw/zinc/52/22/37/943522237.db2.gz BPRGZFPKOFQGSY-MOXGXCLJSA-N 2 0 370.468 3.641 20 0 FHADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423461356 943522754 /nfs/dbraw/zinc/52/27/54/943522754.db2.gz CGKOSMOLWFOHKW-BJJXKVORSA-N 2 0 353.304 3.770 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000423461359 943522829 /nfs/dbraw/zinc/52/28/29/943522829.db2.gz CGKOSMOLWFOHKW-XNRPHZJLSA-N 2 0 353.304 3.770 20 0 FHADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000515146469 943523642 /nfs/dbraw/zinc/52/36/42/943523642.db2.gz SEXDDLSVXXIMHD-HYFFOGBASA-N 2 0 351.494 3.658 20 0 FHADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423467477 943523773 /nfs/dbraw/zinc/52/37/73/943523773.db2.gz XNIILOTZHPNKTN-SJORKVTESA-N 2 0 352.482 3.691 20 0 FHADRP CC(C)COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423502513 943530110 /nfs/dbraw/zinc/53/01/10/943530110.db2.gz FCEGKURVUBWYDM-PELRDEGISA-N 2 0 359.558 3.588 20 0 FHADRP Clc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CCC2)cc1 ZINC000423501194 943530303 /nfs/dbraw/zinc/53/03/03/943530303.db2.gz AZQGKQNJRGSYHZ-XVAXZDLZSA-N 2 0 361.961 3.987 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000423506412 943531674 /nfs/dbraw/zinc/53/16/74/943531674.db2.gz IVFINUFYMSHKCP-WDGBRCNXSA-N 2 0 364.537 3.616 20 0 FHADRP CC(C)[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)cc1F ZINC000423507860 943531811 /nfs/dbraw/zinc/53/18/11/943531811.db2.gz JXPVWXURGNZWLZ-UHYCVJNDSA-N 2 0 367.940 3.982 20 0 FHADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423492482 943536430 /nfs/dbraw/zinc/53/64/30/943536430.db2.gz NFSRNFDRCQHTGD-ONIAQPFYSA-N 2 0 350.478 3.552 20 0 FHADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423495328 943537083 /nfs/dbraw/zinc/53/70/83/943537083.db2.gz BSRNTSGSZWBQEV-AVCGJXAMSA-N 2 0 351.538 3.749 20 0 FHADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423528939 943537562 /nfs/dbraw/zinc/53/75/62/943537562.db2.gz PFSBQKFQZGWMNU-VBVZNHOFSA-N 2 0 369.553 3.709 20 0 FHADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1C ZINC000423528966 943537673 /nfs/dbraw/zinc/53/76/73/943537673.db2.gz PJSFXBKLQABBHW-BTZTZORMSA-N 2 0 369.553 3.764 20 0 FHADRP COCCC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000423495258 943537728 /nfs/dbraw/zinc/53/77/28/943537728.db2.gz UFPSGSPBPHJTRJ-XYPHTWIQSA-N 2 0 355.320 3.634 20 0 FHADRP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCc1ccccc1 ZINC000414748533 943539986 /nfs/dbraw/zinc/53/99/86/943539986.db2.gz IQWNOHWRYGSNAK-FQEVSTJZSA-N 2 0 354.494 3.848 20 0 FHADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000423509024 943540597 /nfs/dbraw/zinc/54/05/97/943540597.db2.gz LCTXMEFCAQWKAO-RWBZWWBESA-N 2 0 355.448 3.572 20 0 FHADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc12 ZINC000423519570 943543989 /nfs/dbraw/zinc/54/39/89/943543989.db2.gz QATRWUWUMVEVDF-LMDPOFIKSA-N 2 0 367.537 3.715 20 0 FHADRP C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423519778 943544174 /nfs/dbraw/zinc/54/41/74/943544174.db2.gz DPQOPBBOGVEXSY-NUDGRNCOSA-N 2 0 367.581 3.640 20 0 FHADRP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423524300 943546554 /nfs/dbraw/zinc/54/65/54/943546554.db2.gz WXXNQYUWUHUROT-TVPLGVNVSA-N 2 0 367.484 3.545 20 0 FHADRP CC(C)C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423561042 943549477 /nfs/dbraw/zinc/54/94/77/943549477.db2.gz JWVTUAQVTJCPAN-QFIPXVFZSA-N 2 0 366.553 3.752 20 0 FHADRP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@@H]3C2)cc1 ZINC000423540990 943552056 /nfs/dbraw/zinc/55/20/56/943552056.db2.gz KIPNJGPAXQTHOE-DAMRUUDFSA-N 3 0 367.581 3.655 20 0 FHADRP CCc1ccc([C@H](C)[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000423542583 943552725 /nfs/dbraw/zinc/55/27/25/943552725.db2.gz BFNVQTQXPFHSTP-KRWDZBQOSA-N 2 0 357.567 3.955 20 0 FHADRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000423566541 943558670 /nfs/dbraw/zinc/55/86/70/943558670.db2.gz MBEMLWKBVBUSMV-LJQANCHMSA-N 2 0 374.532 3.879 20 0 FHADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC000423570023 943559189 /nfs/dbraw/zinc/55/91/89/943559189.db2.gz MWDQWRPNOUKKTK-JOCHJYFZSA-N 2 0 367.537 3.729 20 0 FHADRP Cn1ccnc1C[N@H+](CCCc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693520 943560974 /nfs/dbraw/zinc/56/09/74/943560974.db2.gz MKFOBQQXKJHHBV-IBGZPJMESA-N 2 0 372.944 3.650 20 0 FHADRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000423574357 943561041 /nfs/dbraw/zinc/56/10/41/943561041.db2.gz PIYQEGCMAYKGJV-OAQYLSRUSA-N 2 0 373.491 3.999 20 0 FHADRP NC1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000423578007 943561498 /nfs/dbraw/zinc/56/14/98/943561498.db2.gz TYJCISDRZRUSRG-PKTZIBPZSA-N 2 0 363.549 3.906 20 0 FHADRP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000423577907 943561560 /nfs/dbraw/zinc/56/15/60/943561560.db2.gz SZNLVYKZHWWGBQ-INIZCTEOSA-N 2 0 359.464 3.609 20 0 FHADRP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000187919701 943574157 /nfs/dbraw/zinc/57/41/57/943574157.db2.gz FTIBTBRIHHUARD-AVRDEDQJSA-N 2 0 356.510 3.575 20 0 FHADRP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000423775560 943614556 /nfs/dbraw/zinc/61/45/56/943614556.db2.gz PEKMDHVDMUGZAU-LAUBAEHRSA-N 2 0 351.494 3.600 20 0 FHADRP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000664374351 943692038 /nfs/dbraw/zinc/69/20/38/943692038.db2.gz WIQSPEMNWJWCLZ-MRXNPFEDSA-N 2 0 371.529 3.661 20 0 FHADRP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414771254 943694712 /nfs/dbraw/zinc/69/47/12/943694712.db2.gz QSGOZSXKPCENFD-IYBDPMFKSA-N 2 0 352.906 3.569 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000414775145 943746268 /nfs/dbraw/zinc/74/62/68/943746268.db2.gz BLEIHJRMICEYNK-YADHBBJMSA-N 2 0 352.478 3.807 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424134850 943746958 /nfs/dbraw/zinc/74/69/58/943746958.db2.gz ODNUPRXKECTJDI-AZUAARDMSA-N 2 0 351.579 3.835 20 0 FHADRP CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143542 943749320 /nfs/dbraw/zinc/74/93/20/943749320.db2.gz ZROQSTFCAYSSGG-HXUWFJFHSA-N 2 0 351.579 3.645 20 0 FHADRP CC[NH+](CC)[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)c1cccc(OC)c1 ZINC000563065004 943762155 /nfs/dbraw/zinc/76/21/55/943762155.db2.gz BMSPCNLQFKHYAC-KKSFZXQISA-N 2 0 369.509 3.528 20 0 FHADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414904686 943806222 /nfs/dbraw/zinc/80/62/22/943806222.db2.gz KKWDLBRPKBSEJS-IGMLNUEZSA-N 2 0 354.538 3.816 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)Cc2cccs2)CC1 ZINC000506050659 943813322 /nfs/dbraw/zinc/81/33/22/943813322.db2.gz DFTFGIKCYYNQML-UHFFFAOYSA-N 2 0 373.566 3.539 20 0 FHADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)C[C@H]2C1 ZINC000424266539 943813967 /nfs/dbraw/zinc/81/39/67/943813967.db2.gz WXAKDSMVGPNPPG-HXMRDFBYSA-N 2 0 372.553 3.589 20 0 FHADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000506052476 943818440 /nfs/dbraw/zinc/81/84/40/943818440.db2.gz UDXNKDNDJOPELN-UHFFFAOYSA-N 2 0 366.933 3.673 20 0 FHADRP C[C@H]1CC2(C[N@@H+]1Cc1cn3cc(Cl)cc(Cl)c3n1)CC[NH2+]CC2 ZINC000424290406 943821133 /nfs/dbraw/zinc/82/11/33/943821133.db2.gz MMMVHFDMMITPDZ-LBPRGKRZSA-N 2 0 353.297 3.605 20 0 FHADRP CCC(CC)(CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417698601 943836070 /nfs/dbraw/zinc/83/60/70/943836070.db2.gz GSHMOZCLKLMEKI-MOPGFXCFSA-N 2 0 374.573 3.537 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]2C1 ZINC000424322330 943843784 /nfs/dbraw/zinc/84/37/84/943843784.db2.gz VHNCQIGEKMWTGQ-VIJVGKABSA-N 2 0 354.538 3.975 20 0 FHADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)C[C@H]2C1 ZINC000424301993 943851559 /nfs/dbraw/zinc/85/15/59/943851559.db2.gz LPADEJQRYWAJEW-BQAIHONLSA-N 2 0 356.554 3.936 20 0 FHADRP CSC1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[NH+](C)CC1 ZINC000424345191 943874116 /nfs/dbraw/zinc/87/41/16/943874116.db2.gz HUAUGEASKKAUAR-KRWDZBQOSA-N 2 0 361.580 3.844 20 0 FHADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424374221 943885212 /nfs/dbraw/zinc/88/52/12/943885212.db2.gz HWBJDHWAWGKINT-CQSZACIVSA-N 2 0 374.479 3.731 20 0 FHADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)CC[NH2+]CC2 ZINC000424388023 943895539 /nfs/dbraw/zinc/89/55/39/943895539.db2.gz YYERSURODYXDBA-CYBMUJFWSA-N 2 0 360.395 3.731 20 0 FHADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000504917940 943898390 /nfs/dbraw/zinc/89/83/90/943898390.db2.gz DLIBNTSIWZXYCB-PXNSSMCTSA-N 2 0 371.569 3.760 20 0 FHADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001207486013 943915701 /nfs/dbraw/zinc/91/57/01/943915701.db2.gz AYZNKZUKTMTRRC-QGZVFWFLSA-N 2 0 351.332 3.970 20 0 FHADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000424430880 943924972 /nfs/dbraw/zinc/92/49/72/943924972.db2.gz DSWZSSHSDHAXKK-GOSISDBHSA-N 2 0 366.509 3.582 20 0 FHADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CC12CCOCC2 ZINC000414789781 943934484 /nfs/dbraw/zinc/93/44/84/943934484.db2.gz OOMQNNVDQDQMCK-INIZCTEOSA-N 2 0 360.498 3.742 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414790331 943938398 /nfs/dbraw/zinc/93/83/98/943938398.db2.gz AAXDVWJUKRBRJX-VNHYZAJKSA-N 2 0 357.420 3.530 20 0 FHADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1nc(-c2ccccc2)no1 ZINC000925627503 943943266 /nfs/dbraw/zinc/94/32/66/943943266.db2.gz AZCUYPRROLITJS-ATZDWAIDSA-N 2 0 354.498 3.598 20 0 FHADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000517046366 943949986 /nfs/dbraw/zinc/94/99/86/943949986.db2.gz FCMQTWMGBCQHEA-QAPCUYQASA-N 2 0 373.463 3.652 20 0 FHADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511643757 943979830 /nfs/dbraw/zinc/97/98/30/943979830.db2.gz FDRMCFTZBMMMEV-OTWHNJEPSA-N 2 0 357.542 3.915 20 0 FHADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC000500072831 944050142 /nfs/dbraw/zinc/05/01/42/944050142.db2.gz IKQCWKVIKPULAI-XMMPIXPASA-N 2 0 369.597 3.773 20 0 FHADRP [NH3+]CCC1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000517158332 944061767 /nfs/dbraw/zinc/06/17/67/944061767.db2.gz BFKKTNHHMJNOJB-HXUWFJFHSA-N 2 0 362.477 3.887 20 0 FHADRP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414913876 944115125 /nfs/dbraw/zinc/11/51/25/944115125.db2.gz JRPMDJYVIXVXQL-GFCCVEGCSA-N 2 0 351.210 3.700 20 0 FHADRP [NH3+]C1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000437796581 944124389 /nfs/dbraw/zinc/12/43/89/944124389.db2.gz HNMHVWPQQVRLTC-UHFFFAOYSA-N 2 0 360.505 3.958 20 0 FHADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(C)c1OC ZINC000517259725 944154132 /nfs/dbraw/zinc/15/41/32/944154132.db2.gz MOPNVYFTQHJSHC-UHFFFAOYSA-N 2 0 354.494 3.898 20 0 FHADRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364249679 944154310 /nfs/dbraw/zinc/15/43/10/944154310.db2.gz HMJNACQWGKEKIW-PXNSSMCTSA-N 2 0 368.529 3.563 20 0 FHADRP CCCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000515756144 944184825 /nfs/dbraw/zinc/18/48/25/944184825.db2.gz NLLORXRCGFGELA-OALUTQOASA-N 2 0 359.558 3.703 20 0 FHADRP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000515757583 944185413 /nfs/dbraw/zinc/18/54/13/944185413.db2.gz IMCROWZBDPVRMG-QRVBRYPASA-N 2 0 373.585 3.947 20 0 FHADRP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414974567 944252974 /nfs/dbraw/zinc/25/29/74/944252974.db2.gz NRWLGNZGOFMNEW-QZTJIDSGSA-N 2 0 352.906 3.520 20 0 FHADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000515851444 944274046 /nfs/dbraw/zinc/27/40/46/944274046.db2.gz PDNHPQKBEBPAOA-GOSISDBHSA-N 2 0 361.530 3.773 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)C(C)C ZINC000101631992 944303754 /nfs/dbraw/zinc/30/37/54/944303754.db2.gz GWQZLPSLVPXZNM-UHFFFAOYSA-N 2 0 359.558 3.956 20 0 FHADRP CC(C)N(C(=O)[C@@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483935 944321893 /nfs/dbraw/zinc/32/18/93/944321893.db2.gz CXCDAOSXDLZCNV-VAMGGRTRSA-N 2 0 351.579 3.607 20 0 FHADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000414921404 944325026 /nfs/dbraw/zinc/32/50/26/944325026.db2.gz FOANVRZBWJANDK-RYUDHWBXSA-N 2 0 351.210 3.827 20 0 FHADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000515909539 944325361 /nfs/dbraw/zinc/32/53/61/944325361.db2.gz XWGIOVPWNPYDHX-IBGZPJMESA-N 2 0 358.457 3.552 20 0 FHADRP Cc1nccn1CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835685 944334385 /nfs/dbraw/zinc/33/43/85/944334385.db2.gz GCUVJKMEOOODET-JOCHJYFZSA-N 2 0 366.553 3.814 20 0 FHADRP CC1(c2ccccc2)CC([NH2+]Cc2cccc(CN3CCOCC3)c2)C1 ZINC000436468795 944348702 /nfs/dbraw/zinc/34/87/02/944348702.db2.gz MAXXVBHGCRQSJX-UHFFFAOYSA-N 2 0 350.506 3.729 20 0 FHADRP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000436470078 944350742 /nfs/dbraw/zinc/35/07/42/944350742.db2.gz IDPGEUFEMKIYRO-UHFFFAOYSA-N 2 0 364.533 3.853 20 0 FHADRP Clc1ccccc1N1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000436471434 944351777 /nfs/dbraw/zinc/35/17/77/944351777.db2.gz RZVIYYGGMRTJGF-GOSISDBHSA-N 2 0 370.928 3.962 20 0 FHADRP COCC1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[NH2+]CC1 ZINC000414982537 944360026 /nfs/dbraw/zinc/36/00/26/944360026.db2.gz YHOKNGNIKRDAHT-UHFFFAOYSA-N 2 0 371.506 3.662 20 0 FHADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167977446 944413167 /nfs/dbraw/zinc/41/31/67/944413167.db2.gz CIWBXRGYUOPLGT-GGRGVLTASA-N 3 0 368.569 3.559 20 0 FHADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000314394862 944423478 /nfs/dbraw/zinc/42/34/78/944423478.db2.gz STZYNQRJQXYDNY-KRWDZBQOSA-N 2 0 368.363 3.516 20 0 FHADRP COc1cccc2c1SC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167977834 944430098 /nfs/dbraw/zinc/43/00/98/944430098.db2.gz GCFJTDZIJYHTPP-HRVKUGKESA-N 2 0 358.551 3.707 20 0 FHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000426323835 944459326 /nfs/dbraw/zinc/45/93/26/944459326.db2.gz DGVONTGFGQKCKM-YOEHRIQHSA-N 2 0 351.332 3.801 20 0 FHADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000518534450 944464160 /nfs/dbraw/zinc/46/41/60/944464160.db2.gz HSTSCYGBXGRMPN-JOCHJYFZSA-N 2 0 366.553 3.678 20 0 FHADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000414992305 944491034 /nfs/dbraw/zinc/49/10/34/944491034.db2.gz BOXCBEGEBCVTTM-ZTFGCOKTSA-N 2 0 352.906 3.505 20 0 FHADRP C1=CC[C@H](C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)CC1 ZINC001167982040 944493676 /nfs/dbraw/zinc/49/36/76/944493676.db2.gz UHIQDNKQFRKIJK-FNXHNPQUSA-N 2 0 357.586 3.802 20 0 FHADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CS2 ZINC001167982157 944528175 /nfs/dbraw/zinc/52/81/75/944528175.db2.gz YSCBLFCFHLKBKM-MSRNWOCLSA-N 2 0 358.551 3.707 20 0 FHADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000366694500 944553313 /nfs/dbraw/zinc/55/33/13/944553313.db2.gz JTPZGUIUDIFJFY-RBDMOPTHSA-N 2 0 361.493 3.611 20 0 FHADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262053874 944585156 /nfs/dbraw/zinc/58/51/56/944585156.db2.gz QMZBOISXFRGABN-UHFFFAOYSA-N 2 0 372.944 3.777 20 0 FHADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999056 944623058 /nfs/dbraw/zinc/62/30/58/944623058.db2.gz IOVVTEXMFIZNFB-MCIONIFRSA-N 2 0 357.420 3.530 20 0 FHADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000438482124 944662886 /nfs/dbraw/zinc/66/28/86/944662886.db2.gz ADVVUNWEDVBJOE-HXUWFJFHSA-N 2 0 369.484 3.581 20 0 FHADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000162739488 944685876 /nfs/dbraw/zinc/68/58/76/944685876.db2.gz XHCIIEHHVRPLKQ-INIZCTEOSA-N 2 0 374.916 3.564 20 0 FHADRP Cc1nc2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2s1 ZINC000426413588 944710914 /nfs/dbraw/zinc/71/09/14/944710914.db2.gz TUFFTJLSODGYLJ-UHFFFAOYSA-N 2 0 359.539 3.539 20 0 FHADRP CCC(CC)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000426416093 944728971 /nfs/dbraw/zinc/72/89/71/944728971.db2.gz GNYMUCUHEXHREU-PXNSSMCTSA-N 2 0 357.542 3.639 20 0 FHADRP c1ccc(OCc2ccncc2)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000506942478 944762462 /nfs/dbraw/zinc/76/24/62/944762462.db2.gz BCEDJBUXSMXIJE-UHFFFAOYSA-N 2 0 365.521 3.968 20 0 FHADRP Fc1ccc([C@H]2CC[NH2+]C[C@H]2C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000415002309 944788056 /nfs/dbraw/zinc/78/80/56/944788056.db2.gz LYFIMVLPHPQPLK-QFBILLFUSA-N 2 0 364.411 3.910 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000516397493 944794732 /nfs/dbraw/zinc/79/47/32/944794732.db2.gz JRSXUCSNUORWLI-IBGZPJMESA-N 2 0 357.542 3.667 20 0 FHADRP Fc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167964872 944845826 /nfs/dbraw/zinc/84/58/26/944845826.db2.gz ZCWDPFWYNSHZDQ-NOTZXAQLSA-N 2 0 371.544 3.785 20 0 FHADRP Cn1ccnc1[C@@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441673 944863827 /nfs/dbraw/zinc/86/38/27/944863827.db2.gz ACCLMNPLEAAIBJ-FPOVZHCZSA-N 2 0 352.526 3.763 20 0 FHADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000516450346 944875464 /nfs/dbraw/zinc/87/54/64/944875464.db2.gz DDHQTMFFAIBOKJ-LXBDKUERSA-N 2 0 374.488 3.779 20 0 FHADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000467389029 944973898 /nfs/dbraw/zinc/97/38/98/944973898.db2.gz ONSMXOPFQKQLBC-FQEVSTJZSA-N 2 0 355.457 3.723 20 0 FHADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+][C@H](C)C2)o1 ZINC000414946987 945003344 /nfs/dbraw/zinc/00/33/44/945003344.db2.gz KEUBIKIXSWMWGN-QAPCUYQASA-N 2 0 350.466 3.671 20 0 FHADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CSC)c2)[C@H](C)C1 ZINC000437070125 945003663 /nfs/dbraw/zinc/00/36/63/945003663.db2.gz ALVIHMUPKQSCOD-XLIONFOSSA-N 2 0 350.572 3.776 20 0 FHADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000427053849 945036220 /nfs/dbraw/zinc/03/62/20/945036220.db2.gz VCRLPLYQHGWINZ-NRFANRHFSA-N 2 0 371.569 3.770 20 0 FHADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414955344 945044072 /nfs/dbraw/zinc/04/40/72/945044072.db2.gz UCEJMCQYAQVXTF-YJBOKZPZSA-N 2 0 356.514 3.544 20 0 FHADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000519594952 945045663 /nfs/dbraw/zinc/04/56/63/945045663.db2.gz FKYHLZXJSSDODG-LJQANCHMSA-N 2 0 372.475 3.711 20 0 FHADRP CC[NH+](CC)Cc1cccc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1F ZINC001167986817 945420227 /nfs/dbraw/zinc/42/02/27/945420227.db2.gz GHQQCLWAILQJDB-UHFFFAOYSA-N 2 0 355.457 3.818 20 0 FHADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187808969 945601908 /nfs/dbraw/zinc/60/19/08/945601908.db2.gz BDAXAHNNOVHNDW-HSZRJFAPSA-N 2 0 374.569 3.982 20 0 FHADRP CC[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000519678445 945628609 /nfs/dbraw/zinc/62/86/09/945628609.db2.gz VUJBEVJDSVYJCF-QHCPKHFHSA-N 2 0 374.569 3.853 20 0 FHADRP Brc1ccc2c(c1)nccc2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000549526169 945634798 /nfs/dbraw/zinc/63/47/98/945634798.db2.gz MSKRHBKZLRFLPI-CQSZACIVSA-N 2 0 360.299 3.919 20 0 FHADRP Brc1ccc2c(c1)nccc2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000549526168 945635288 /nfs/dbraw/zinc/63/52/88/945635288.db2.gz MSKRHBKZLRFLPI-AWEZNQCLSA-N 2 0 360.299 3.919 20 0 FHADRP COc1cc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)ccc1OCc1ccncc1 ZINC000415092660 945654828 /nfs/dbraw/zinc/65/48/28/945654828.db2.gz UCVZXAOXRSPOQE-ZRZPHAQCSA-N 2 0 369.509 3.837 20 0 FHADRP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc(C[N@H+]2CCC[C@H]2C)cc1 ZINC000629701415 945663036 /nfs/dbraw/zinc/66/30/36/945663036.db2.gz BTACQJXESZLGQU-YLJYHZDGSA-N 2 0 352.522 3.756 20 0 FHADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000440612727 945707654 /nfs/dbraw/zinc/70/76/54/945707654.db2.gz NSSRFXWKGADHDC-ZBFHGGJFSA-N 2 0 366.431 3.819 20 0 FHADRP CCc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[NH+](C)C)cc1 ZINC000110919222 945783993 /nfs/dbraw/zinc/78/39/93/945783993.db2.gz XIPNFUACOXBLHG-FGZHOGPDSA-N 2 0 367.537 3.661 20 0 FHADRP C[NH+](C)Cc1ccc(F)c(-c2ccc([C@@H]([NH3+])CO)c(C(F)(F)F)c2)c1 ZINC000629736353 945788118 /nfs/dbraw/zinc/78/81/18/945788118.db2.gz FGGYRLLTWAMRDY-KRWDZBQOSA-N 2 0 356.363 3.565 20 0 FHADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522847559 945995505 /nfs/dbraw/zinc/99/55/05/945995505.db2.gz ZWERCIQNUADNNV-SFHVURJKSA-N 2 0 366.509 3.632 20 0 FHADRP CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000520043489 946069883 /nfs/dbraw/zinc/06/98/83/946069883.db2.gz JNKRWSWBNMDAAU-HNNXBMFYSA-N 2 0 367.484 3.736 20 0 FHADRP Cc1[nH+]c2ccccc2c(N2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000302086512 946115452 /nfs/dbraw/zinc/11/54/52/946115452.db2.gz NOANQXATXCFFEJ-UHFFFAOYSA-N 2 0 353.510 3.933 20 0 FHADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3cc(Br)ccc32)C1 ZINC000302746607 946307033 /nfs/dbraw/zinc/30/70/33/946307033.db2.gz SIJASJQBESPWPL-GUYCJALGSA-N 2 0 360.299 3.918 20 0 FHADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccc(Cl)cc1 ZINC000441206531 946316075 /nfs/dbraw/zinc/31/60/75/946316075.db2.gz WWRIMLOMKDMIOO-BPQIPLTHSA-N 2 0 354.947 3.616 20 0 FHADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000416876545 946321628 /nfs/dbraw/zinc/32/16/28/946321628.db2.gz AABRBRZPICBMEX-KRWDZBQOSA-N 2 0 368.525 3.548 20 0 FHADRP C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000302860153 946355822 /nfs/dbraw/zinc/35/58/22/946355822.db2.gz UOQCJRBZCCDOCY-QGZVFWFLSA-N 2 0 363.461 3.530 20 0 FHADRP CC(C)Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000893486621 946406541 /nfs/dbraw/zinc/40/65/41/946406541.db2.gz GQWFEVGFVMSXTL-QHCPKHFHSA-N 2 0 367.537 3.527 20 0 FHADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000152436320 946413096 /nfs/dbraw/zinc/41/30/96/946413096.db2.gz RKASWRGOMMEFID-KSSFIOAISA-N 2 0 371.352 3.971 20 0 FHADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1(C)C ZINC000441333537 946465225 /nfs/dbraw/zinc/46/52/25/946465225.db2.gz SWLSOBLKJTUYGI-UHFFFAOYSA-N 2 0 369.578 3.953 20 0 FHADRP C[C@@H]1CC(n2cncc2C2CC[NH2+]CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058072 946595725 /nfs/dbraw/zinc/59/57/25/946595725.db2.gz AVBDVVYCJPAPCI-QZTJIDSGSA-N 2 0 352.526 3.964 20 0 FHADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000536266574 946663173 /nfs/dbraw/zinc/66/31/73/946663173.db2.gz HVYXXVYLSXIDFU-QGZVFWFLSA-N 2 0 367.331 3.529 20 0 FHADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnccc2C)CC1 ZINC000475564143 946675274 /nfs/dbraw/zinc/67/52/74/946675274.db2.gz LXHXWTBYLGQFSD-UHFFFAOYSA-N 2 0 352.526 3.554 20 0 FHADRP CC(C)(C)[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663018679 946708062 /nfs/dbraw/zinc/70/80/62/946708062.db2.gz CWHNIMUCWXICLP-WOJBJXKFSA-N 2 0 371.569 3.509 20 0 FHADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000475225877 946735418 /nfs/dbraw/zinc/73/54/18/946735418.db2.gz VLHLBQYDGVZYRD-PZJWPPBQSA-N 2 0 350.506 3.664 20 0 FHADRP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000188445542 946829197 /nfs/dbraw/zinc/82/91/97/946829197.db2.gz ACWHCFOZQJLMGZ-DYESRHJHSA-N 2 0 356.485 3.503 20 0 FHADRP CC[NH2+]Cc1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000123542233 946887595 /nfs/dbraw/zinc/88/75/95/946887595.db2.gz YGDAAXLINZSGMN-UHFFFAOYSA-N 2 0 351.450 3.856 20 0 FHADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000909603451 946898407 /nfs/dbraw/zinc/89/84/07/946898407.db2.gz GTTDIRBMACFDSF-UHFFFAOYSA-N 2 0 351.494 3.905 20 0 FHADRP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1CC[NH3+] ZINC000652353719 946903634 /nfs/dbraw/zinc/90/36/34/946903634.db2.gz AQDAMXXMPVGQIR-DYESRHJHSA-N 2 0 351.494 3.888 20 0 FHADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2c(Cl)cccc2Cl)C1 ZINC000652360704 946928495 /nfs/dbraw/zinc/92/84/95/946928495.db2.gz OGUJMXUNENAKCN-COXVUDFISA-N 2 0 373.324 3.733 20 0 FHADRP C[C@H]1CC(N2CC[N@H+](C)CC23CCCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064006 947030342 /nfs/dbraw/zinc/03/03/42/947030342.db2.gz GUSPQQNDGWPTDD-PMACEKPBSA-N 2 0 355.570 3.988 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000228650226 947101497 /nfs/dbraw/zinc/10/14/97/947101497.db2.gz DDJJQAIXLQVINN-RTBURBONSA-N 2 0 359.558 3.767 20 0 FHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192935088 947117042 /nfs/dbraw/zinc/11/70/42/947117042.db2.gz CLAUGCXYCWCWNN-YLJYHZDGSA-N 2 0 351.494 3.818 20 0 FHADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192935062 947117188 /nfs/dbraw/zinc/11/71/88/947117188.db2.gz CLAUGCXYCWCWNN-XLIONFOSSA-N 2 0 351.494 3.818 20 0 FHADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825417293 947183003 /nfs/dbraw/zinc/18/30/03/947183003.db2.gz PLXPCNQBETXLAU-INIZCTEOSA-N 2 0 364.497 3.559 20 0 FHADRP CC(C)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444766021 947201673 /nfs/dbraw/zinc/20/16/73/947201673.db2.gz GGGCAUBDNDMZHU-CTNGQTDRSA-N 2 0 371.569 3.524 20 0 FHADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000441460355 947608638 /nfs/dbraw/zinc/60/86/38/947608638.db2.gz CWYRIAKPBHMOJL-BVYCBKJFSA-N 2 0 369.553 3.552 20 0 FHADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189184849 947656872 /nfs/dbraw/zinc/65/68/72/947656872.db2.gz ABPJIKQRBALOCZ-MRXNPFEDSA-N 2 0 364.839 3.685 20 0 FHADRP C[NH+](C)CC[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(C)(C)C ZINC000523863410 947674247 /nfs/dbraw/zinc/67/42/47/947674247.db2.gz QXSZGERRNSZIKA-OAHLLOKOSA-N 2 0 371.319 3.634 20 0 FHADRP c1ccc(CCCO[C@@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662259289 947679749 /nfs/dbraw/zinc/67/97/49/947679749.db2.gz UNUWCBSRUQJIAG-JOCHJYFZSA-N 2 0 350.506 3.556 20 0 FHADRP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1Cc1ccccc1 ZINC000662264083 947682543 /nfs/dbraw/zinc/68/25/43/947682543.db2.gz RCWRFBSGOGTYDD-CVDCTZTESA-N 2 0 363.549 3.817 20 0 FHADRP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)on2)cc1 ZINC000662274752 947698465 /nfs/dbraw/zinc/69/84/65/947698465.db2.gz WROCSANSXBNTON-ROUUACIJSA-N 2 0 355.482 3.562 20 0 FHADRP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1F ZINC000662291041 947712471 /nfs/dbraw/zinc/71/24/71/947712471.db2.gz NNLIUIMKXIZSNI-MAUKXSAKSA-N 2 0 372.488 3.957 20 0 FHADRP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)co2)cc1 ZINC000662290779 947712728 /nfs/dbraw/zinc/71/27/28/947712728.db2.gz KHHRYLIVQADKFD-SFHVURJKSA-N 2 0 355.482 3.562 20 0 FHADRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1F ZINC000662291693 947713663 /nfs/dbraw/zinc/71/36/63/947713663.db2.gz XMRXEQSQAUHTLT-OAHLLOKOSA-N 2 0 367.896 3.519 20 0 FHADRP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291260 947713925 /nfs/dbraw/zinc/71/39/25/947713925.db2.gz QWEBNLYCFFBXIB-SJLPKXTDSA-N 2 0 354.498 3.818 20 0 FHADRP COc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662292989 947714953 /nfs/dbraw/zinc/71/49/53/947714953.db2.gz PXDKCIYGHDPYLZ-YJBOKZPZSA-N 2 0 370.497 3.518 20 0 FHADRP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294082 947716157 /nfs/dbraw/zinc/71/61/57/947716157.db2.gz OWGMXOVWCGXXFH-YJBOKZPZSA-N 2 0 370.497 3.518 20 0 FHADRP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294024 947716182 /nfs/dbraw/zinc/71/61/82/947716182.db2.gz AEVSJKUWFJASEU-HKUYNNGSSA-N 2 0 357.542 3.849 20 0 FHADRP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)cc1 ZINC000662293696 947716417 /nfs/dbraw/zinc/71/64/17/947716417.db2.gz MEAWSGFWXLRUIL-JOCHJYFZSA-N 2 0 365.521 3.872 20 0 FHADRP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662294079 947716665 /nfs/dbraw/zinc/71/66/65/947716665.db2.gz OWGMXOVWCGXXFH-CRAIPNDOSA-N 2 0 370.497 3.518 20 0 FHADRP COCCC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000189398058 947725692 /nfs/dbraw/zinc/72/56/92/947725692.db2.gz DLHWSCMSANRTNO-QFIPXVFZSA-N 2 0 374.569 3.720 20 0 FHADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000662370640 947770695 /nfs/dbraw/zinc/77/06/95/947770695.db2.gz FOOYBLZRTDDZPE-QFIPXVFZSA-N 2 0 365.521 3.564 20 0 FHADRP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662383404 947776526 /nfs/dbraw/zinc/77/65/26/947776526.db2.gz ZYOQVZDXQQIYCX-HXUWFJFHSA-N 2 0 369.896 3.510 20 0 FHADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc4c(s3)CC[NH2+]C4)cc2)C1 ZINC000662386502 947777678 /nfs/dbraw/zinc/77/76/78/947777678.db2.gz BEIVUUSKXVSFOX-HNNXBMFYSA-N 2 0 369.534 3.878 20 0 FHADRP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807786 /nfs/dbraw/zinc/80/77/86/947807786.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 2 0 367.581 3.895 20 0 FHADRP FC(F)(F)COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663346618 947816207 /nfs/dbraw/zinc/81/62/07/947816207.db2.gz BDEGUBUCDLDECO-KRWDZBQOSA-N 2 0 356.432 3.839 20 0 FHADRP CN(C(=O)CC[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccccc1 ZINC000663360431 947849852 /nfs/dbraw/zinc/84/98/52/947849852.db2.gz WNFTXPDZRXBIMX-UTKZUKDTSA-N 2 0 371.550 3.774 20 0 FHADRP Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663362985 947852120 /nfs/dbraw/zinc/85/21/20/947852120.db2.gz DLADWXKAFSJIMR-OAQYLSRUSA-N 2 0 352.526 3.915 20 0 FHADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000662510087 947878717 /nfs/dbraw/zinc/87/87/17/947878717.db2.gz COOMLAAEAJLZMN-NRFANRHFSA-N 2 0 371.569 3.512 20 0 FHADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([S@@](C)=O)cc1 ZINC000165321698 947890294 /nfs/dbraw/zinc/89/02/94/947890294.db2.gz CIKNKKMBIKVCEM-FXABVQRQSA-N 2 0 370.562 3.639 20 0 FHADRP C[C@@H]1C[NH+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C[C@@H](C)O1 ZINC000663384364 947903621 /nfs/dbraw/zinc/90/36/21/947903621.db2.gz IHYZXRVOISZWNI-HZPDHXFCSA-N 2 0 350.466 3.784 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1)C(C)C ZINC000662598839 947924561 /nfs/dbraw/zinc/92/45/61/947924561.db2.gz ZNOMTKWGFNKLPF-QFIPXVFZSA-N 2 0 371.569 3.769 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000511976891 947933327 /nfs/dbraw/zinc/93/33/27/947933327.db2.gz JRRXHRZSCWQHHA-GOSISDBHSA-N 2 0 357.542 3.521 20 0 FHADRP O=C(NC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1)C1CCCCC1 ZINC001168001346 948063419 /nfs/dbraw/zinc/06/34/19/948063419.db2.gz ASHQVSHBMOHNOW-CBQGHPETSA-N 2 0 373.585 3.553 20 0 FHADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469865 948064302 /nfs/dbraw/zinc/06/43/02/948064302.db2.gz RGKCXVAMOGKZIR-PXNSSMCTSA-N 2 0 352.526 3.953 20 0 FHADRP C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000663474118 948070955 /nfs/dbraw/zinc/07/09/55/948070955.db2.gz MHBKCBGCOFHMOW-AWEZNQCLSA-N 2 0 367.415 3.892 20 0 FHADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 ZINC000663506539 948125390 /nfs/dbraw/zinc/12/53/90/948125390.db2.gz ULJMGYRVIWNZLR-IFMALSPDSA-N 2 0 371.569 3.683 20 0 FHADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000511997974 948140564 /nfs/dbraw/zinc/14/05/64/948140564.db2.gz FCSPPLFFTCLGRD-UHFFFAOYSA-N 2 0 359.558 3.769 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001167828137 948167676 /nfs/dbraw/zinc/16/76/76/948167676.db2.gz ZYRZRXVUJWFZBU-GOSISDBHSA-N 2 0 367.578 3.830 20 0 FHADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000432353632 948199780 /nfs/dbraw/zinc/19/97/80/948199780.db2.gz OALVDUMOIIARHN-UHFFFAOYSA-N 2 0 367.522 3.735 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001167833421 948224514 /nfs/dbraw/zinc/22/45/14/948224514.db2.gz BCDCIFMHZPFNSJ-BZSNNMDCSA-N 2 0 355.567 3.875 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624382 948256078 /nfs/dbraw/zinc/25/60/78/948256078.db2.gz JGATYKZOBMKTBM-SZOBAZRNSA-N 2 0 350.506 3.535 20 0 FHADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1ccccc1 ZINC000549624318 948261083 /nfs/dbraw/zinc/26/10/83/948261083.db2.gz IBELXZBXYGTZET-JMBSJVKXSA-N 2 0 364.533 3.925 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001167834924 948269413 /nfs/dbraw/zinc/26/94/13/948269413.db2.gz NWGNWJHBGRIDRQ-YLJYHZDGSA-N 2 0 355.567 3.734 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001167835694 948297586 /nfs/dbraw/zinc/29/75/86/948297586.db2.gz SXEVVAGPZNTFSM-CTNGQTDRSA-N 2 0 360.542 3.952 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2cc(Cl)ccc2OC)CC1 ZINC001167836818 948308057 /nfs/dbraw/zinc/30/80/57/948308057.db2.gz HQBGHTDVRIRMLX-KRWDZBQOSA-N 2 0 367.965 3.981 20 0 FHADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001167836815 948308074 /nfs/dbraw/zinc/30/80/74/948308074.db2.gz HPXTUTHVFYEXKK-JBACZVJFSA-N 2 0 359.558 3.621 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC001167838258 948312534 /nfs/dbraw/zinc/31/25/34/948312534.db2.gz SQSJBRDQLOGASM-QGZVFWFLSA-N 2 0 365.949 3.608 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167839557 948320799 /nfs/dbraw/zinc/32/07/99/948320799.db2.gz ABZZMEALOQJZLP-KZNAEPCWSA-N 2 0 355.567 3.827 20 0 FHADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1)C(C)C ZINC000183270628 948367536 /nfs/dbraw/zinc/36/75/36/948367536.db2.gz KBOUTGIZDFXJAF-UHFFFAOYSA-N 2 0 355.482 3.507 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2ccc(Cl)c(OC)c2)CC1 ZINC001167841878 948368962 /nfs/dbraw/zinc/36/89/62/948368962.db2.gz SVSDKBDQUMFUNY-QGZVFWFLSA-N 2 0 367.965 3.981 20 0 FHADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2cnc3ccccc3n2)CC1 ZINC001167842349 948383992 /nfs/dbraw/zinc/38/39/92/948383992.db2.gz WOKWVTRACLMFDO-GOSISDBHSA-N 2 0 370.541 3.984 20 0 FHADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c2ccccc21 ZINC000645409036 948397062 /nfs/dbraw/zinc/39/70/62/948397062.db2.gz OTCZDEWEKZEXRW-IRXDYDNUSA-N 2 0 355.501 3.798 20 0 FHADRP c1ccc2c(c1)OCC21CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168004706 948404706 /nfs/dbraw/zinc/40/47/06/948404706.db2.gz XVNCVODSJUYOSN-YOFSQIOKSA-N 2 0 352.522 3.818 20 0 FHADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000512096598 948408254 /nfs/dbraw/zinc/40/82/54/948408254.db2.gz ZKKAQNYUTPIIBH-ZCNNSNEGSA-N 2 0 371.569 3.940 20 0 FHADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000152372509 948424629 /nfs/dbraw/zinc/42/46/29/948424629.db2.gz MTSXIWLSHLGSGN-GDBMZVCRSA-N 2 0 358.917 3.969 20 0 FHADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000520655021 948508468 /nfs/dbraw/zinc/50/84/68/948508468.db2.gz YNJCUNIYXBPCQI-MOPGFXCFSA-N 2 0 374.573 3.591 20 0 FHADRP C[C@@H]1CC([NH2+]CCNC(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005981 948549190 /nfs/dbraw/zinc/54/91/90/948549190.db2.gz LXYCOMUPURKJJA-IAGOWNOFSA-N 2 0 361.530 3.542 20 0 FHADRP COc1ccc([C@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162774583 948767395 /nfs/dbraw/zinc/76/73/95/948767395.db2.gz HBUJYAITEOLOHJ-INIZCTEOSA-N 2 0 357.498 3.863 20 0 FHADRP CCCCn1nc(C)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000067452837 948789166 /nfs/dbraw/zinc/78/91/66/948789166.db2.gz ZKDUGIIZZOCUSU-HZPDHXFCSA-N 2 0 370.969 3.624 20 0 FHADRP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC000461104501 567964214 /nfs/dbraw/zinc/96/42/14/567964214.db2.gz XCRUKAUTFWWNRA-RTBURBONSA-N 2 0 360.542 3.978 20 0 FHADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CCS2 ZINC000186981826 568035253 /nfs/dbraw/zinc/03/52/53/568035253.db2.gz DYZYPOJUFNYKTP-VQTJNVASSA-N 2 0 361.599 3.702 20 0 FHADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)[C@@H](C)C1 ZINC000604418433 568276280 /nfs/dbraw/zinc/27/62/80/568276280.db2.gz YWXZXTYDTWURMD-MAUKXSAKSA-N 2 0 369.347 3.676 20 0 FHADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000317206974 568501788 /nfs/dbraw/zinc/50/17/88/568501788.db2.gz ZLCMNLFCQBPJQM-CQSZACIVSA-N 2 0 362.315 3.817 20 0 FHADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821197913 599369565 /nfs/dbraw/zinc/36/95/65/599369565.db2.gz OGEHGATYRVZUBJ-INIZCTEOSA-N 2 0 364.497 3.559 20 0 FHADRP