smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)OC(=O)C1(C(=O)OC(C)C)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000001493299 561676382 /nfs/dbraw/zinc/67/63/82/561676382.db2.gz GRHWEUAYZZFBLE-UTKZUKDTSA-N 1 0 505.995 3.965 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2ccccc2)cc1 ZINC000001493654 561676381 /nfs/dbraw/zinc/67/63/81/561676381.db2.gz DWXVAXFBBBGUFA-UHFFFAOYSA-N 1 0 515.017 3.819 1 0 KHAFRO [NH2+]=C(c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)cc1)N1CCC1 ZINC000001494737 561676622 /nfs/dbraw/zinc/67/66/22/561676622.db2.gz JEAIWPGEPYZCTF-UHFFFAOYSA-N 1 0 503.049 3.732 1 0 KHAFRO CC[NH+](CC)CC(=O)Nc1c(C(N)=O)nnn1Cc1cc(Cl)c(C(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000001650821 561678508 /nfs/dbraw/zinc/67/85/08/561678508.db2.gz KNFGAMLXOGQFLD-UHFFFAOYSA-N 1 0 537.835 3.897 1 0 KHAFRO COc1cccc(OS(=O)(=O)c2ccc(COc3ccc(N4C(=N)NC(=[NH2+])NC4(C)C)cc3Cl)cc2)c1 ZINC000001727970 561679343 /nfs/dbraw/zinc/67/93/43/561679343.db2.gz LXBOEDGNPQHIIZ-UHFFFAOYSA-N 1 0 544.033 3.881 1 0 KHAFRO COc1ccc(OS(=O)(=O)c2ccc(COc3ccc(N4C(=N)NC(=[NH2+])NC4(C)C)cc3Cl)cc2)cc1 ZINC000001727976 561679539 /nfs/dbraw/zinc/67/95/39/561679539.db2.gz WTHBDGLKJKCNOF-UHFFFAOYSA-N 1 0 544.033 3.881 1 0 KHAFRO COc1ccccc1OS(=O)(=O)c1ccc(COc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2Cl)cc1 ZINC000001728475 561679441 /nfs/dbraw/zinc/67/94/41/561679441.db2.gz ZYGSICFARPRGGE-UHFFFAOYSA-N 1 0 544.033 3.881 1 0 KHAFRO CN(C)C(=O)c1cccc(OS(=O)(=O)c2ccc(COc3ccc(N4C(=N)NC(=[NH2+])NC4(C)C)cc3Cl)cc2)c1 ZINC000001728482 561679450 /nfs/dbraw/zinc/67/94/50/561679450.db2.gz RFVPKNUZHGRATR-UHFFFAOYSA-N 1 0 585.086 3.574 1 0 KHAFRO CN(C)C(=O)c1ccc(OS(=O)(=O)c2ccc(COc3ccc(N4C(=N)NC(=[NH2+])NC4(C)C)cc3Cl)cc2)cc1 ZINC000001728741 561679498 /nfs/dbraw/zinc/67/94/98/561679498.db2.gz BQGCVESHACEKEM-UHFFFAOYSA-N 1 0 585.086 3.574 1 0 KHAFRO CN1CC[NH+]=C1c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3[O-])c(F)c(OC3CC[NH+](CC(=O)[O-])CC3)c2F)c1 ZINC000001892573 561680150 /nfs/dbraw/zinc/68/01/50/561680150.db2.gz ZKPMPXGSEXIYPL-UHFFFAOYSA-N 1 0 596.591 3.554 1 0 KHAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C(=O)[C@@H](Cc2c[nH]c4ccccc24)NC(=O)C(C)(C)[NH3+])C3)cc1 ZINC000001893530 561680137 /nfs/dbraw/zinc/68/01/37/561680137.db2.gz JFGAZVOQOJZFHA-MUUNZHRXSA-N 1 0 573.719 3.627 1 0 KHAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 ZINC000002002749 561680368 /nfs/dbraw/zinc/68/03/68/561680368.db2.gz VMAXOLZYDATUED-NRFANRHFSA-N 1 0 521.433 3.528 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000003783527 561682374 /nfs/dbraw/zinc/68/23/74/561682374.db2.gz SBJLJOFPWOYATP-XMMPIXPASA-N 1 0 509.614 3.625 1 0 in-vitro KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000003783533 561682413 /nfs/dbraw/zinc/68/24/13/561682413.db2.gz MXGRIPOAADJWTP-JOCHJYFZSA-N 1 0 527.654 3.785 1 0 KHAFRO Cc1cccc(/C=C/C(=O)N(C)[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]2O6)c1 ZINC000003810883 561682726 /nfs/dbraw/zinc/68/27/26/561682726.db2.gz POOFQLQPMSQKAT-TVOCXUCUSA-N 1 0 500.639 3.805 1 0 KHAFRO NC(=[NH2+])c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3I)c2c1 ZINC000003815609 561682853 /nfs/dbraw/zinc/68/28/53/561682853.db2.gz XJQDTUMETVLTMC-UHFFFAOYSA-N 1 0 573.416 3.552 1 0 KHAFRO CN(C[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000003816886 561682951 /nfs/dbraw/zinc/68/29/51/561682951.db2.gz WBCSOAILRDZMDJ-MRXNPFEDSA-N 1 0 504.414 3.811 1 0 KHAFRO CC[NH+]1CCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CCOCC1)C(=O)NC2=O ZINC000003817811 561683155 /nfs/dbraw/zinc/68/31/55/561683155.db2.gz SFDFKLDQKSPRHB-UHFFFAOYSA-N 1 0 512.610 3.532 1 0 KHAFRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000003819343 561683163 /nfs/dbraw/zinc/68/31/63/561683163.db2.gz NWNRAEPFIKOHBQ-XMMPIXPASA-N 1 0 533.673 3.863 1 0 KHAFRO COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3[NH3+])n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1 ZINC000003821012 561683270 /nfs/dbraw/zinc/68/32/70/561683270.db2.gz UCDYGVBDFHZXEE-LEWJYISDSA-N 1 0 501.591 3.938 1 0 KHAFRO CCOC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000003826588 561683423 /nfs/dbraw/zinc/68/34/23/561683423.db2.gz VUGOJEFYZBZZBP-AOYPEHQESA-N 1 0 519.686 3.842 1 0 KHAFRO [NH3+]C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)CC1 ZINC000003831680 561683392 /nfs/dbraw/zinc/68/33/92/561683392.db2.gz FSVAWWOYUSROJH-CORPVRLYSA-N 1 0 602.801 3.931 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCc3ccccc3C2)c1 ZINC000003834129 561683763 /nfs/dbraw/zinc/68/37/63/561683763.db2.gz AUWXTWMVJPBPIG-MHZLTWQESA-N 1 0 512.635 3.598 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCc3ccccc32)c1 ZINC000003834139 561683759 /nfs/dbraw/zinc/68/37/59/561683759.db2.gz WYWGVEORQFXDRM-SANMLTNESA-N 1 0 512.635 3.993 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC[C@@H]3CCCC[C@H]32)c1 ZINC000003834146 561683738 /nfs/dbraw/zinc/68/37/38/561683738.db2.gz VWTGJWIWWWDTKN-OUIFVKKZSA-N 1 0 504.656 3.805 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000003915799 561684754 /nfs/dbraw/zinc/68/47/54/561684754.db2.gz VFMKUYMXRFUTPT-PXRFWVEESA-N 1 0 702.922 3.642 1 0 KHAFRO O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000003917693 561685352 /nfs/dbraw/zinc/68/53/52/561685352.db2.gz HYJYRDCPGUEYND-XMMPIXPASA-N 1 0 586.501 3.608 1 0 in-vitro KHAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000003920959 561685781 /nfs/dbraw/zinc/68/57/81/561685781.db2.gz ZZFRSAFCNPHDAO-BJKOFHAPSA-N 1 0 514.519 3.955 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2[C@@H]([NH3+])[C@H]1O ZINC000003925399 561686546 /nfs/dbraw/zinc/68/65/46/561686546.db2.gz MRLZHJSWDCUIEE-IAPQBRSKSA-N 1 0 559.707 3.964 1 0 KHAFRO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000003925965 561686644 /nfs/dbraw/zinc/68/66/44/561686644.db2.gz GLLQEDWASQJONE-LICLKQGHSA-N 1 0 567.733 3.709 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCCC[C@H]12 ZINC000003930684 561687311 /nfs/dbraw/zinc/68/73/11/561687311.db2.gz GGSRUTDSWCRZNI-NBDAMYGJSA-N 1 0 571.759 3.632 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCCC[C@@H]12 ZINC000003930691 561687318 /nfs/dbraw/zinc/68/73/18/561687318.db2.gz GGSRUTDSWCRZNI-DBMFPBDGSA-N 1 0 571.759 3.632 1 0 KHAFRO CCOC(=O)[C@H]1C[N@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 ZINC000003936601 561688589 /nfs/dbraw/zinc/68/85/89/561688589.db2.gz IPBOROXXRHATRV-UNMCSNQZSA-N 1 0 505.036 3.934 1 0 KHAFRO CCOC(=O)[C@@H]1C[N@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 ZINC000003936602 561688574 /nfs/dbraw/zinc/68/85/74/561688574.db2.gz IPBOROXXRHATRV-IFMALSPDSA-N 1 0 505.036 3.934 1 0 KHAFRO CCOC(=O)[C@@H]1C[N@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 ZINC000003936603 561688664 /nfs/dbraw/zinc/68/86/64/561688664.db2.gz IPBOROXXRHATRV-RBBKRZOGSA-N 1 0 505.036 3.934 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000003938824 561688868 /nfs/dbraw/zinc/68/88/68/561688868.db2.gz QDRQEEPEBNONJL-KQZFZZGISA-N 1 0 539.742 3.996 1 0 KHAFRO COC1CC[NH+](CCNC(=O)c2nc(NC(=O)c3ccc(NC(=O)c4cc(NC(=O)c5cc6ccccc6cn5)cn4C)cc3)cn2C)CC1 ZINC000003939972 561689160 /nfs/dbraw/zinc/68/91/60/561689160.db2.gz MZWDOQAMQTXGQJ-UHFFFAOYSA-N 1 0 677.766 3.904 1 0 KHAFRO Cn1cc(NC(=O)c2cc3cc4c(cc3s2)OCO4)cc1C(=O)Nc1ccc(C(=O)Nc2cn(C)c(C(=O)NCC[NH+]3CCC(O)CC3)n2)cc1 ZINC000003940081 561689207 /nfs/dbraw/zinc/68/92/07/561689207.db2.gz YCZAFAZLZYXUJY-UHFFFAOYSA-N 1 0 712.789 3.645 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000003943920 561689667 /nfs/dbraw/zinc/68/96/67/561689667.db2.gz KKRYDPVDJYCEER-QEGGNFSNSA-N 1 0 543.705 3.570 1 0 in-vitro KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CC[N@@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000003944220 561689745 /nfs/dbraw/zinc/68/97/45/561689745.db2.gz NXJBGBMSUYPTGF-NJSKGKFKSA-N 1 0 585.745 3.945 1 0 KHAFRO O=C([C@H]1CCCC[NH2+]1)N1CCN(c2nc3ncccc3c(NCc3ccc(Cl)cc3Cl)n2)CC1 ZINC000003947838 561690170 /nfs/dbraw/zinc/69/01/70/561690170.db2.gz GDQQUDANFRCFMF-HXUWFJFHSA-N 1 0 500.434 3.734 1 0 KHAFRO COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 ZINC000003948344 561690112 /nfs/dbraw/zinc/69/01/12/561690112.db2.gz JIIXGDGLWIDEHT-CLYVBNDRSA-N 1 0 503.599 3.559 1 0 KHAFRO COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 ZINC000003948347 561690141 /nfs/dbraw/zinc/69/01/41/561690141.db2.gz WTBGOYCHEVMMHF-CLYVBNDRSA-N 1 0 533.625 3.567 1 0 in-vivo KHAFRO CN(C(=O)c1cccc(C[NH3+])c1)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(N)=O ZINC000003951192 561690482 /nfs/dbraw/zinc/69/04/82/561690482.db2.gz PSOLFBOEWSLWQH-FQLXRVMXSA-N 1 0 522.649 3.537 1 0 KHAFRO CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)c1cccc(C[NH3+])c1 ZINC000003951196 561690496 /nfs/dbraw/zinc/69/04/96/561690496.db2.gz HEDSEHOHZPFDFG-LOYHVIPDSA-N 1 0 536.676 3.798 1 0 KHAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C[NH+]1CCCC1)c1cccc(NC(=O)[C@@H]([NH3+])CC(=O)[O-])c1 ZINC000003952258 561690608 /nfs/dbraw/zinc/69/06/08/561690608.db2.gz FQLSJBIFAGFAMH-FCHUYYIVSA-N 1 0 521.445 3.572 1 0 KHAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C[NH+]1CCCC1)c1cccc(NC(=O)[C@H]([NH3+])CC(=O)[O-])c1 ZINC000003952259 561690548 /nfs/dbraw/zinc/69/05/48/561690548.db2.gz FQLSJBIFAGFAMH-FGZHOGPDSA-N 1 0 521.445 3.572 1 0 KHAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C[NH+]1CCCC1)c1cccc(NC(=O)C[C@H]([NH3+])C(=O)[O-])c1 ZINC000003952260 561690595 /nfs/dbraw/zinc/69/05/95/561690595.db2.gz SGIWBFOWQPASOE-FCHUYYIVSA-N 1 0 521.445 3.572 1 0 KHAFRO CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](CNS(C)(=O)=O)Cc1ccccc1 ZINC000003952538 561690680 /nfs/dbraw/zinc/69/06/80/561690680.db2.gz DENFYOMXPQVVLT-DPQZCMBTSA-N 1 0 578.779 3.512 1 0 KHAFRO O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)CC1 ZINC000003954895 561690804 /nfs/dbraw/zinc/69/08/04/561690804.db2.gz HJSSHXVIZGRZSS-NDEPHWFRSA-N 1 0 536.648 3.889 1 0 KHAFRO COc1ccc(C(=O)Nc2cccc(OCCO)c2NC(=O)c2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000003955154 561690835 /nfs/dbraw/zinc/69/08/35/561690835.db2.gz VGWZNBYCFHUGJL-UHFFFAOYSA-N 1 0 518.614 3.713 1 0 KHAFRO COCC1=C(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 ZINC000003973094 561691709 /nfs/dbraw/zinc/69/17/09/561691709.db2.gz ZIIQDPQNOPXNGU-RUZDIDTESA-N 1 0 516.564 3.744 1 0 KHAFRO Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000003976347 561691941 /nfs/dbraw/zinc/69/19/41/561691941.db2.gz DRZLAUYXLXUZDX-BCQCSXDESA-N 1 0 587.708 3.842 1 0 KHAFRO CCNC(=O)c1ccccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)[NH3+] ZINC000003979904 561692353 /nfs/dbraw/zinc/69/23/53/561692353.db2.gz GCIFKIZQURUDLW-SGLZHPSQSA-N 1 0 518.702 3.918 1 0 KHAFRO Cc1ccc(-c2ccc(C[C@H]([NH2+]C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)C(N)=O)cc2)cc1 ZINC000003979947 561692375 /nfs/dbraw/zinc/69/23/75/561692375.db2.gz NEWUKDSOGFUGDE-CUPIEXAXSA-N 1 0 621.782 3.586 1 0 KHAFRO CNC(=O)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000003982059 561692665 /nfs/dbraw/zinc/69/26/65/561692665.db2.gz OYENIRRONIJFGW-ODNGPVGPSA-N 1 0 546.687 3.848 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@H](N2CCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000003986207 561692871 /nfs/dbraw/zinc/69/28/71/561692871.db2.gz NLIYRTKVNAIJQT-OZTAZYLFSA-N 1 0 565.658 3.999 1 0 KHAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1=O ZINC000003986216 561692968 /nfs/dbraw/zinc/69/29/68/561692968.db2.gz IGFGNGGGTCLIPB-HJOGWXRNSA-N 1 0 520.596 3.555 1 0 KHAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(N)cc(C(F)(F)F)c2)C1=O ZINC000003986217 561692930 /nfs/dbraw/zinc/69/29/30/561692930.db2.gz PYYIJYWVDCWCQF-HJOGWXRNSA-N 1 0 520.596 3.555 1 0 KHAFRO COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3[NH3+])n3nc(-c4ccccc4Cl)nc3c2C(N)=O)cc(OC)c1 ZINC000003987621 561693034 /nfs/dbraw/zinc/69/30/34/561693034.db2.gz VLHKHLQNVJKAHG-UXHICEINSA-N 1 0 537.024 3.986 1 0 KHAFRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCNC(N)=[NH2+] ZINC000003989821 561693326 /nfs/dbraw/zinc/69/33/26/561693326.db2.gz OJPUSZQXDWHXOL-GIFUDOJISA-N 1 0 678.834 3.770 1 0 KHAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)[NH+](C)C)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000004098483 560195777 /nfs/dbraw/zinc/19/57/77/560195777.db2.gz ZNUMAFXIQXNMMH-UZFRKIFNSA-N 1 0 573.738 3.860 1 0 in-vitro KHAFRO CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)[NH+](C)C ZINC000004098491 560195763 /nfs/dbraw/zinc/19/57/63/560195763.db2.gz KGRSGRNSVOPQEA-NNQIDPCFSA-N 1 0 534.701 3.899 1 0 in-vitro KHAFRO CC(C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)[NH+](C)C ZINC000004098492 560195760 /nfs/dbraw/zinc/19/57/60/560195760.db2.gz QMQZKCJJHAIMPG-RIINEJRYSA-N 1 0 554.691 3.706 1 0 in-vitro KHAFRO COCCCCOc1ccccc1C(=O)NC[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCC1CCN(C(C)=O)CC1)C(C)C)C(C)C ZINC000004393163 561694759 /nfs/dbraw/zinc/69/47/59/561694759.db2.gz YCTGZMYVONHILF-DNUNIWOASA-N 1 0 632.887 3.999 1 0 KHAFRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nc2c3c[nH]nc3nc(NCc3ccc(F)cc3)c2c(=O)[nH]1 ZINC000004633217 561695119 /nfs/dbraw/zinc/69/51/19/561695119.db2.gz AHPXICLKUGGTTI-HXUWFJFHSA-N 1 0 620.711 3.726 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000004651472 561695113 /nfs/dbraw/zinc/69/51/13/561695113.db2.gz SBJLJOFPWOYATP-DEOSSOPVSA-N 1 0 509.614 3.625 1 0 KHAFRO C[NH+](CCNC(=O)c1[nH]nc2c1ccc1ccccc21)CCNC(=O)c1[nH]nc2c1ccc1ccccc21 ZINC000005801203 561698303 /nfs/dbraw/zinc/69/83/03/561698303.db2.gz VINRVJKYGRYUIL-UHFFFAOYSA-N 1 0 505.582 3.837 1 0 KHAFRO CCCC(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000005852728 561699600 /nfs/dbraw/zinc/69/96/00/561699600.db2.gz SYBSMFQJVXVQIL-UHFFFAOYSA-O 1 0 515.631 3.959 1 0 KHAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc[n+](COC(=O)C(C)C)c2)n2c1CCC2 ZINC000005852746 561699713 /nfs/dbraw/zinc/69/97/13/561699713.db2.gz JBNMNRGBLSHSTL-UHFFFAOYSA-O 1 0 515.631 3.815 1 0 KHAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc[n+](COC(=O)C3CC3)c2)n2c1CCC2 ZINC000005852767 561699686 /nfs/dbraw/zinc/69/96/86/561699686.db2.gz CWKZRPPIXKVUTQ-UHFFFAOYSA-O 1 0 513.615 3.569 1 0 KHAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](COC(=O)C3CC3)cc2)n2c1CCC2 ZINC000005852781 561699703 /nfs/dbraw/zinc/69/97/03/561699703.db2.gz GPTKEASULGURRG-UHFFFAOYSA-O 1 0 513.615 3.569 1 0 KHAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](COC(=O)C(C)C)cc2)n2c1CCC2 ZINC000005852786 561699685 /nfs/dbraw/zinc/69/96/85/561699685.db2.gz VOWOJXGUUZLURN-UHFFFAOYSA-O 1 0 515.631 3.815 1 0 KHAFRO CCCC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000005852822 561699696 /nfs/dbraw/zinc/69/96/96/561699696.db2.gz KRPGFCHHXNSNLJ-UHFFFAOYSA-O 1 0 515.631 3.959 1 0 KHAFRO COC(=O)[C@@H]1C[C@@H]([C@H](C[NH3+])c2cn(C(=O)OC(C)(C)C)c3ccccc23)C(=O)N1C(=O)OC(C)(C)C ZINC000006041346 561702282 /nfs/dbraw/zinc/70/22/82/561702282.db2.gz XZGAGYCRFJTYQY-ZWOKBUDYSA-N 1 0 501.580 3.792 1 0 KHAFRO COC(=O)[C@@H]1C[C@@H]([C@@H](C[NH3+])c2cn(C(=O)OC(C)(C)C)c3ccccc23)C(=O)N1C(=O)OC(C)(C)C ZINC000006041347 561702299 /nfs/dbraw/zinc/70/22/99/561702299.db2.gz XZGAGYCRFJTYQY-QKLQHJQFSA-N 1 0 501.580 3.792 1 0 KHAFRO COC(=O)[C@@H]1C[C@H]([C@H](C[NH3+])c2cn(C(=O)OC(C)(C)C)c3ccccc23)C(=O)N1C(=O)OC(C)(C)C ZINC000006041348 561702337 /nfs/dbraw/zinc/70/23/37/561702337.db2.gz XZGAGYCRFJTYQY-UWVAXJGDSA-N 1 0 501.580 3.792 1 0 KHAFRO COC(=O)[C@@H]1C[C@H]([C@@H](C[NH3+])c2cn(C(=O)OC(C)(C)C)c3ccccc23)C(=O)N1C(=O)OC(C)(C)C ZINC000006041349 561702329 /nfs/dbraw/zinc/70/23/29/561702329.db2.gz XZGAGYCRFJTYQY-HLIPFELVSA-N 1 0 501.580 3.792 1 0 KHAFRO [NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000006133754 561702567 /nfs/dbraw/zinc/70/25/67/561702567.db2.gz ALVGMHQSSHZIGN-AFESJLNVSA-N 1 0 542.652 3.593 1 0 KHAFRO C[C@H](Cc1cccc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000006718005 561703136 /nfs/dbraw/zinc/70/31/36/561703136.db2.gz BYOZRDSUPAUFPE-DWXRJYCRSA-N 1 0 532.559 3.896 1 0 KHAFRO C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCC[NH3+])cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000010339546 561709322 /nfs/dbraw/zinc/70/93/22/561709322.db2.gz UUMRCVIXZFKZAU-OAQYLSRUSA-N 1 0 571.671 3.850 1 0 in-vitro KHAFRO COc1ccc2c(c1)C[C@H](C[NH2+]CC1CN(CCNS(=O)(=O)c3cccc4ccccc43)C1)CCC2 ZINC000013439504 561712315 /nfs/dbraw/zinc/71/23/15/561712315.db2.gz JDKBURQCHYJSJP-JOCHJYFZSA-N 1 0 507.700 3.843 1 0 KHAFRO COc1ccc2c(c1)C[C@@H](C[NH2+]CC1CN(CCNS(=O)(=O)c3cccc4ccccc43)C1)CCC2 ZINC000013439509 561712352 /nfs/dbraw/zinc/71/23/52/561712352.db2.gz JDKBURQCHYJSJP-QFIPXVFZSA-N 1 0 507.700 3.843 1 0 KHAFRO COc1ccc2c(c1OC)C[C@H]([NH2+]CC1CN(CCNS(=O)(=O)c3cccc4ccccc43)C1)CCC2 ZINC000013439514 561712395 /nfs/dbraw/zinc/71/23/95/561712395.db2.gz KWTSCJCXCQYOFR-XMMPIXPASA-N 1 0 523.699 3.604 1 0 KHAFRO COc1ccc2c(c1OC)C[C@@H]([NH2+]CC1CN(CCNS(=O)(=O)c3cccc4ccccc43)C1)CCC2 ZINC000013439518 561712375 /nfs/dbraw/zinc/71/23/75/561712375.db2.gz KWTSCJCXCQYOFR-DEOSSOPVSA-N 1 0 523.699 3.604 1 0 KHAFRO COc1ccc2c(c1)[C@](O)(C[NH2+]CC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 ZINC000013439727 561712454 /nfs/dbraw/zinc/71/24/54/561712454.db2.gz JMUHYSMWZVHDNS-HHHXNRCGSA-N 1 0 530.090 3.777 1 0 KHAFRO COc1ccc2c(c1)[C@@](O)(C[NH2+]CC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 ZINC000013439729 561712452 /nfs/dbraw/zinc/71/24/52/561712452.db2.gz JMUHYSMWZVHDNS-MHZLTWQESA-N 1 0 530.090 3.777 1 0 KHAFRO CS(=O)(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(N)=[NH2+])ccc3O)cc2C(F)(F)F)CC1 ZINC000013441123 561712712 /nfs/dbraw/zinc/71/27/12/561712712.db2.gz CRUGEYOXRXIBLR-NSCUHMNNSA-N 1 0 512.554 3.623 1 0 KHAFRO NC(=[NH2+])c1cccc(OC[C@@H](NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000013442898 561712875 /nfs/dbraw/zinc/71/28/75/561712875.db2.gz YCGZOPNGEHECEH-RUZDIDTESA-N 1 0 514.607 3.835 1 0 KHAFRO NC(=[NH2+])c1cccc(OC[C@H](NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000013442901 561712884 /nfs/dbraw/zinc/71/28/84/561712884.db2.gz YCGZOPNGEHECEH-VWLOTQADSA-N 1 0 514.607 3.835 1 0 KHAFRO NC(=[NH2+])c1cccc(OCCN(Cc2ccoc2)C(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000013442908 561712851 /nfs/dbraw/zinc/71/28/51/561712851.db2.gz JHBIYDPEQQAZTM-UHFFFAOYSA-N 1 0 518.595 3.599 1 0 KHAFRO NC(=[NH2+])c1cccc(Oc2ccc(N)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000013442937 561713012 /nfs/dbraw/zinc/71/30/12/561713012.db2.gz SYOTWQBTJARFEQ-UHFFFAOYSA-N 1 0 501.568 3.912 1 0 KHAFRO NC(=[NH2+])c1cccc(Oc2cc(N)ccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000013442943 561712968 /nfs/dbraw/zinc/71/29/68/561712968.db2.gz WIUGTWURTXLLHD-UHFFFAOYSA-N 1 0 501.568 3.912 1 0 KHAFRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21 ZINC000013445454 561713096 /nfs/dbraw/zinc/71/30/96/561713096.db2.gz WVDAQTVGUQLXLW-HCWKHTBGSA-N 1 0 509.973 3.964 1 0 KHAFRO Cc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21 ZINC000013445457 561713072 /nfs/dbraw/zinc/71/30/72/561713072.db2.gz WVDAQTVGUQLXLW-TZZOCQFFSA-N 1 0 509.973 3.964 1 0 KHAFRO Cc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21 ZINC000013445460 561713067 /nfs/dbraw/zinc/71/30/67/561713067.db2.gz WVDAQTVGUQLXLW-RJLQUFMYSA-N 1 0 509.973 3.964 1 0 KHAFRO COc1ccc([C@@H]2Cc3c(ccc(Br)c3OC)N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000013450895 561713318 /nfs/dbraw/zinc/71/33/18/561713318.db2.gz SWYMEYHNHCWMGX-FDDCHVKYSA-N 1 0 505.409 3.633 1 0 KHAFRO O=C(N[C@@H](CO)Cc1ccc2ccccc2c1)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CC[NH2+]CC1 ZINC000013470202 561713798 /nfs/dbraw/zinc/71/37/98/561713798.db2.gz VNIUJXIQHVIAKB-LOYHVIPDSA-N 1 0 509.650 3.740 1 0 KHAFRO COc1cc2c(cc1OCCCC(N)=[NH2+])ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000013475690 561714717 /nfs/dbraw/zinc/71/47/17/561714717.db2.gz VSWZGAGDFYIAFT-UHFFFAOYSA-N 1 0 521.622 3.875 1 0 KHAFRO C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1cccc(C(=[NH2+])NN)c1 ZINC000013487197 561715139 /nfs/dbraw/zinc/71/51/39/561715139.db2.gz FQDBGCJYCCKTJO-FYJGNVAPSA-N 1 0 501.971 3.782 1 0 KHAFRO CN(CCCc1ccc(C(F)(F)F)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CC[NH2+]CC2)n1 ZINC000013492567 561716318 /nfs/dbraw/zinc/71/63/18/561716318.db2.gz FFBYCHATVNLHSI-UHFFFAOYSA-N 1 0 515.584 3.729 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013492582 561716419 /nfs/dbraw/zinc/71/64/19/561716419.db2.gz VFBRUMHJLLKXHR-IKEVSXELSA-N 1 0 501.671 3.917 1 0 KHAFRO CCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000013493034 561716534 /nfs/dbraw/zinc/71/65/34/561716534.db2.gz PSEWCVKKIXIZNJ-CTZUUEIXSA-N 1 0 513.638 3.641 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000013519292 561716919 /nfs/dbraw/zinc/71/69/19/561716919.db2.gz JWKDAXNMZQKVPL-UHFFFAOYSA-N 1 0 520.580 3.890 1 0 KHAFRO Cc1c(-c2cccc(O)c2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013519319 561716955 /nfs/dbraw/zinc/71/69/55/561716955.db2.gz DSPYGRHBEAKREG-UHFFFAOYSA-N 1 0 506.553 3.587 1 0 KHAFRO COc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000013519329 561716969 /nfs/dbraw/zinc/71/69/69/561716969.db2.gz BNWLRWBTEPFFPQ-UHFFFAOYSA-N 1 0 520.580 3.890 1 0 KHAFRO COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000013519335 561716895 /nfs/dbraw/zinc/71/68/95/561716895.db2.gz CNCQJESYDWCKOG-UHFFFAOYSA-N 1 0 506.553 3.582 1 0 KHAFRO CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)N[C@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(C)C ZINC000013523933 561717179 /nfs/dbraw/zinc/71/71/79/561717179.db2.gz FRYOMSQSMMVAIX-VCLLDZPSSA-N 1 0 507.675 3.812 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCc3ccccc3)nc(Cl)c2-c2ccccc2)cc1 ZINC000013526929 561717310 /nfs/dbraw/zinc/71/73/10/561717310.db2.gz POBRKUJXLKRHCP-UHFFFAOYSA-N 1 0 500.990 3.776 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(Cc3ccccc3)c(Cl)nc(NCCc3ccccc3)c2=O)cc1 ZINC000013527083 561717308 /nfs/dbraw/zinc/71/73/08/561717308.db2.gz GHRLUTXGFDQPAX-UHFFFAOYSA-N 1 0 529.044 3.743 1 0 KHAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Cl)n(-c2cccc(C(N)=[NH2+])c2)n1 ZINC000013529523 561717644 /nfs/dbraw/zinc/71/76/44/561717644.db2.gz XKWMCMSZCZLLBU-UHFFFAOYSA-N 1 0 508.991 3.685 1 0 KHAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2C[NH3+])cc1 ZINC000013529953 561717604 /nfs/dbraw/zinc/71/76/04/561717604.db2.gz QTOOBBSLGMTGLR-UHFFFAOYSA-N 1 0 515.517 3.917 1 0 KHAFRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000013534437 561717756 /nfs/dbraw/zinc/71/77/56/561717756.db2.gz ZOLCDBJAUYIOTD-FQEVSTJZSA-N 1 0 509.628 3.512 1 0 KHAFRO CCCCOc1ccc(S(=O)(=O)N2CC([NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)C2)cc1 ZINC000013534475 561717857 /nfs/dbraw/zinc/71/78/57/561717857.db2.gz PXGAAXILIXQZCL-NRFANRHFSA-N 1 0 523.655 3.902 1 0 KHAFRO CC(C)[NH+]1CCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CCOCC1)C(=O)NC2=O ZINC000013538503 561717988 /nfs/dbraw/zinc/71/79/88/561717988.db2.gz IJMSAWGGWOGISJ-UHFFFAOYSA-N 1 0 526.637 3.920 1 0 KHAFRO CC[N@@H+]1CCOCCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC1)C(=O)NC2=O ZINC000013538513 561717986 /nfs/dbraw/zinc/71/79/86/561717986.db2.gz FNTXTLNLTQPVBJ-UHFFFAOYSA-N 1 0 512.610 3.532 1 0 KHAFRO CCCCOc1ccccc1N1CCN(Cc2nc3c(cccc3C(=O)N[C@@H]3C[NH+]4CCC3CC4)[nH]2)CC1 ZINC000013539219 561718174 /nfs/dbraw/zinc/71/81/74/561718174.db2.gz KKNDNGKMDFYCPN-RUZDIDTESA-N 1 0 516.690 3.888 1 0 KHAFRO CCCCOc1ccccc1N1CCN(Cc2nc3c(cccc3C(=O)N[C@H]3C[NH+]4CCC3CC4)[nH]2)CC1 ZINC000013539221 561718178 /nfs/dbraw/zinc/71/81/78/561718178.db2.gz KKNDNGKMDFYCPN-VWLOTQADSA-N 1 0 516.690 3.888 1 0 KHAFRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc2[nH]c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)nc21 ZINC000013539223 561718182 /nfs/dbraw/zinc/71/81/82/561718182.db2.gz HTLOUDJCVAHFCL-HSZRJFAPSA-N 1 0 512.580 3.728 1 0 KHAFRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cccc2[nH]c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)nc21 ZINC000013539226 561718159 /nfs/dbraw/zinc/71/81/59/561718159.db2.gz HTLOUDJCVAHFCL-QHCPKHFHSA-N 1 0 512.580 3.728 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[NH2+]CCc3ccccn3)c2=O)c1 ZINC000013553272 561718310 /nfs/dbraw/zinc/71/83/10/561718310.db2.gz MJIPJUSLMJMQDZ-UHFFFAOYSA-N 1 0 506.553 3.548 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]CCc3ccccn3)c2=O)c1 ZINC000013553275 561718258 /nfs/dbraw/zinc/71/82/58/561718258.db2.gz GBIGANWALGHZOR-LJQANCHMSA-N 1 0 520.580 3.936 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[NH2+]CCc3ccccn3)c2=O)c1 ZINC000013553276 561718301 /nfs/dbraw/zinc/71/83/01/561718301.db2.gz GBIGANWALGHZOR-IBGZPJMESA-N 1 0 520.580 3.936 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]Cc3ccccn3)c2=O)c1 ZINC000013553277 561718322 /nfs/dbraw/zinc/71/83/22/561718322.db2.gz OPBYZYBHFFPQKX-GOSISDBHSA-N 1 0 506.553 3.894 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[NH2+]Cc3ccccn3)c2=O)c1 ZINC000013553278 561718291 /nfs/dbraw/zinc/71/82/91/561718291.db2.gz OPBYZYBHFFPQKX-SFHVURJKSA-N 1 0 506.553 3.894 1 0 KHAFRO CNC(=O)NCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000013555360 561718518 /nfs/dbraw/zinc/71/85/18/561718518.db2.gz DDHRZXVHYVZDBS-AREMUKBSSA-N 1 0 527.669 3.874 1 0 KHAFRO CCNC(=O)NCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)C(C)(C)[NH3+])C2=O)cc1 ZINC000013555366 561718524 /nfs/dbraw/zinc/71/85/24/561718524.db2.gz PEMDCAKPTROBPS-AREMUKBSSA-N 1 0 527.669 3.874 1 0 KHAFRO CN(C)C(=O)NCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)C(C)(C)[NH3+])C2=O)cc1 ZINC000013555369 561718514 /nfs/dbraw/zinc/71/85/14/561718514.db2.gz YKUKLOCFDOLXSP-AREMUKBSSA-N 1 0 527.669 3.826 1 0 KHAFRO CNC(=O)NCCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)C(C)(C)[NH3+])C2=O)cc1 ZINC000013555372 561718520 /nfs/dbraw/zinc/71/85/20/561718520.db2.gz YRYHFNAFGQUAGY-AREMUKBSSA-N 1 0 527.669 3.527 1 0 KHAFRO Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000013555964 561718688 /nfs/dbraw/zinc/71/86/88/561718688.db2.gz VMAGTGDEAZSKOW-HHHXNRCGSA-N 1 0 510.638 3.670 1 0 KHAFRO Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@@H](O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000013555965 561718682 /nfs/dbraw/zinc/71/86/82/561718682.db2.gz VMAGTGDEAZSKOW-MHZLTWQESA-N 1 0 510.638 3.670 1 0 KHAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(Cl)cc1 ZINC000013557180 561718798 /nfs/dbraw/zinc/71/87/98/561718798.db2.gz OTFJFVWUPUTCBR-UHFFFAOYSA-N 1 0 510.038 3.728 1 0 KHAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1Cl ZINC000013557182 561718817 /nfs/dbraw/zinc/71/88/17/561718817.db2.gz GDRCZYGSCSTOEU-UHFFFAOYSA-N 1 0 510.038 3.728 1 0 KHAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1cccc(Cl)c1 ZINC000013557183 561718821 /nfs/dbraw/zinc/71/88/21/561718821.db2.gz NSGOQQMMOAVRDW-UHFFFAOYSA-N 1 0 510.038 3.728 1 0 KHAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC4(CCCC4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000013557213 561718953 /nfs/dbraw/zinc/71/89/53/561718953.db2.gz PZEZRJPJJACEJY-UHFFFAOYSA-N 1 0 501.631 3.609 1 0 KHAFRO COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000013558959 561719463 /nfs/dbraw/zinc/71/94/63/561719463.db2.gz LAZZVCKIYLCZIQ-HXUWFJFHSA-N 1 0 514.619 3.661 1 0 KHAFRO COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000013558960 561719484 /nfs/dbraw/zinc/71/94/84/561719484.db2.gz LAZZVCKIYLCZIQ-FQEVSTJZSA-N 1 0 514.619 3.661 1 0 KHAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000013582302 561720187 /nfs/dbraw/zinc/72/01/87/561720187.db2.gz YGHRPBJBMRFBDH-KAYWLYCHSA-N 1 0 509.094 3.559 1 0 KHAFRO C[NH+](C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000013587807 561720910 /nfs/dbraw/zinc/72/09/10/561720910.db2.gz PULMVELKNAGMQU-RUZDIDTESA-N 1 0 529.129 3.800 1 0 KHAFRO CC(C)(C[NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000013587808 561720915 /nfs/dbraw/zinc/72/09/15/561720915.db2.gz HVOCITBTOKXRGF-XMMPIXPASA-N 1 0 529.129 3.833 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000013587809 561720933 /nfs/dbraw/zinc/72/09/33/561720933.db2.gz NBNZLUJDTSYUIV-XMMPIXPASA-N 1 0 529.129 3.976 1 0 KHAFRO COc1ccc(C[NH3+])cc1NC(=O)CN1CCCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000013588669 561721173 /nfs/dbraw/zinc/72/11/73/561721173.db2.gz ZMVNLGVLIJXOGQ-XMMPIXPASA-N 1 0 500.599 3.571 1 0 KHAFRO COc1ccc(C[NH3+])cc1NC(=O)CN1CCCC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000013588670 561721193 /nfs/dbraw/zinc/72/11/93/561721193.db2.gz ZMVNLGVLIJXOGQ-DEOSSOPVSA-N 1 0 500.599 3.571 1 0 KHAFRO CC(C)c1nc(-c2ccc(OCCC[N@@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000013589357 561721343 /nfs/dbraw/zinc/72/13/43/561721343.db2.gz AKFRORBIZCPZBM-LJQANCHMSA-N 1 0 527.597 3.714 1 0 KHAFRO CCC(=O)N[C@H](C)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000013589363 561721349 /nfs/dbraw/zinc/72/13/49/561721349.db2.gz FSPZCIKEKYKFNG-HXUWFJFHSA-N 1 0 529.657 3.826 1 0 KHAFRO Cn1c2ncn(CCC[NH+]3CCC(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000013603621 561721587 /nfs/dbraw/zinc/72/15/87/561721587.db2.gz ZBNKYBROCOJPTH-UHFFFAOYSA-N 1 0 507.585 3.646 1 0 KHAFRO Cc1c(-c2ccc3c(c2)OCCO3)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000013609624 561721886 /nfs/dbraw/zinc/72/18/86/561721886.db2.gz KSMPQSVSWDXWJN-QHCPKHFHSA-N 1 0 505.521 3.783 1 0 KHAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4C[NH3+])cc3F)cc12 ZINC000013611522 561721990 /nfs/dbraw/zinc/72/19/90/561721990.db2.gz JPKDFYYSRDZYIY-UHFFFAOYSA-N 1 0 500.416 3.650 1 0 KHAFRO C[NH2+]Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 ZINC000013611524 561722009 /nfs/dbraw/zinc/72/20/09/561722009.db2.gz XHPFWZMUFYSOAQ-UHFFFAOYSA-N 1 0 514.443 3.911 1 0 KHAFRO CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)[NH2+]C)C(=O)c1nc2ccccc2s1 ZINC000013612374 561721985 /nfs/dbraw/zinc/72/19/85/561721985.db2.gz QCVUVTAXLVLNRP-ZRBLBEILSA-N 1 0 506.672 3.976 1 0 KHAFRO CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OC4CC[NH+](C)CC4)c(C(C)C)c23)c(F)cc1F ZINC000013645297 561722582 /nfs/dbraw/zinc/72/25/82/561722582.db2.gz NZBQAOCZTUIYGZ-UHFFFAOYSA-N 1 0 517.537 3.808 1 0 KHAFRO CC[C@@H](C)[NH2+]CCCn1c(Sc2cc(OC)ccc2I)nc2c1ncnc2N ZINC000013679911 561724520 /nfs/dbraw/zinc/72/45/20/561724520.db2.gz KSNCNMVOGISZFZ-GFCCVEGCSA-N 1 0 512.421 3.951 1 0 KHAFRO CC[C@H](C)[NH2+]CCCn1c(Sc2cc(OC)ccc2I)nc2c1ncnc2N ZINC000013679912 561724662 /nfs/dbraw/zinc/72/46/62/561724662.db2.gz KSNCNMVOGISZFZ-LBPRGKRZSA-N 1 0 512.421 3.951 1 0 KHAFRO COc1ccc(I)c(Sc2nc3c(ncnc3N)n2CCC[NH2+]C(C)(C)C)c1 ZINC000013679916 561724664 /nfs/dbraw/zinc/72/46/64/561724664.db2.gz VNMOWKHAHQJUJI-UHFFFAOYSA-N 1 0 512.421 3.951 1 0 KHAFRO COc1ccc(I)c(Sc2nc3c(ncnc3N)n2CC[NH2+]CC(C)(C)C)c1 ZINC000013679920 561724627 /nfs/dbraw/zinc/72/46/27/561724627.db2.gz FGUVIEZMWVLUBS-UHFFFAOYSA-N 1 0 512.421 3.809 1 0 KHAFRO COc1cc2c(cc1OCCC[NH2+]CCO)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000013680353 561724615 /nfs/dbraw/zinc/72/46/15/561724615.db2.gz UZWFLOSUVZITCB-UHFFFAOYSA-N 1 0 526.594 3.510 1 0 KHAFRO CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000013687661 561724889 /nfs/dbraw/zinc/72/48/89/561724889.db2.gz WAMMBZKCAXKZKW-LZZUIANGSA-N 1 0 531.697 3.965 1 0 KHAFRO CCCCOC(=O)c1cc2c(ccc3c2O[C@@H](C[NH+]2CCC4(CC2)C(=O)NCN4c2ccccc2)CO3)[nH]1 ZINC000013726408 561724953 /nfs/dbraw/zinc/72/49/53/561724953.db2.gz GLHCMRRMBLASQA-NRFANRHFSA-N 1 0 518.614 3.693 1 0 KHAFRO CCCCOC(=O)c1cc2c(ccc3c2O[C@H](C[NH+]2CCC4(CC2)C(=O)NCN4c2ccccc2)CO3)[nH]1 ZINC000013726411 561725013 /nfs/dbraw/zinc/72/50/13/561725013.db2.gz GLHCMRRMBLASQA-OAQYLSRUSA-N 1 0 518.614 3.693 1 0 KHAFRO CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 ZINC000013737688 561725697 /nfs/dbraw/zinc/72/56/97/561725697.db2.gz XRDBUUNOOLWBAO-NEWJYFPISA-N 1 0 500.709 3.733 1 0 KHAFRO NC(=[NH2+])NCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740064 561725910 /nfs/dbraw/zinc/72/59/10/561725910.db2.gz SBUDUQHQINQJQH-UHFFFAOYSA-N 1 0 505.448 3.636 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000013744833 561726635 /nfs/dbraw/zinc/72/66/35/561726635.db2.gz RYBLZEYRJKWPMC-OYUWMTPXSA-N 1 0 503.643 3.958 1 0 KHAFRO COc1ccccc1C[NH2+]C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013746513 561726690 /nfs/dbraw/zinc/72/66/90/561726690.db2.gz GVVBQMBHLKJFRI-AREMUKBSSA-N 1 0 511.670 3.816 1 0 KHAFRO COc1ccccc1C[NH2+]C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013746516 561726768 /nfs/dbraw/zinc/72/67/68/561726768.db2.gz GVVBQMBHLKJFRI-SANMLTNESA-N 1 0 511.670 3.816 1 0 KHAFRO Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCC[NH+]3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 ZINC000013764597 561728287 /nfs/dbraw/zinc/72/82/87/561728287.db2.gz BSUZYOKJXFBXNY-UHFFFAOYSA-N 1 0 533.599 3.544 1 0 KHAFRO Cc1noc2ncc(C(=O)N(C)C)c(NCCC[NH+]3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 ZINC000013764605 561728245 /nfs/dbraw/zinc/72/82/45/561728245.db2.gz ZRJVAAUGVXMZKM-UHFFFAOYSA-N 1 0 520.556 3.798 1 0 KHAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCCC3)cc2F)CC1 ZINC000013779893 561728948 /nfs/dbraw/zinc/72/89/48/561728948.db2.gz OKHOVATVMTUXHZ-HSZRJFAPSA-N 1 0 516.658 3.973 1 0 KHAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCCC3)cc2F)CC1 ZINC000013779894 561728922 /nfs/dbraw/zinc/72/89/22/561728922.db2.gz OKHOVATVMTUXHZ-QHCPKHFHSA-N 1 0 516.658 3.973 1 0 KHAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCSC3)cc2F)CC1 ZINC000013779895 561728893 /nfs/dbraw/zinc/72/88/93/561728893.db2.gz XEMTYGFOVBXDLG-QFIPXVFZSA-N 1 0 534.698 3.884 1 0 KHAFRO CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)[NH3+])C1 ZINC000013780013 561728937 /nfs/dbraw/zinc/72/89/37/561728937.db2.gz UEJDIZNZXONXEL-RNAHPLFWSA-N 1 0 507.675 3.646 1 0 KHAFRO CCOC(=O)[C@]1(Cc2ccccc2)CCCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000013780019 561728942 /nfs/dbraw/zinc/72/89/42/561728942.db2.gz AIKBSPZBEANKGM-NEEKEDPPSA-N 1 0 532.685 3.737 1 0 KHAFRO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000013780687 561729163 /nfs/dbraw/zinc/72/91/63/561729163.db2.gz JUXAVSAMVBLDKO-URLMMPGGSA-N 1 0 525.697 3.979 1 0 KHAFRO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)N[C@H]1C[NH+]2CCC1CC2 ZINC000013780688 561729168 /nfs/dbraw/zinc/72/91/68/561729168.db2.gz JUXAVSAMVBLDKO-VMPREFPWSA-N 1 0 525.697 3.979 1 0 KHAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000013780689 561729190 /nfs/dbraw/zinc/72/91/90/561729190.db2.gz JUXAVSAMVBLDKO-FQLXRVMXSA-N 1 0 525.697 3.979 1 0 KHAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)N[C@H]1C[NH+]2CCC1CC2 ZINC000013780690 561729175 /nfs/dbraw/zinc/72/91/75/561729175.db2.gz JUXAVSAMVBLDKO-WDYNHAJCSA-N 1 0 525.697 3.979 1 0 KHAFRO CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1csc2ccccc12)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000013781192 561729269 /nfs/dbraw/zinc/72/92/69/561729269.db2.gz FQVNNPJLRDCWIO-VUDVURFASA-N 1 0 534.726 3.770 1 0 KHAFRO CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000013781193 561729309 /nfs/dbraw/zinc/72/93/09/561729309.db2.gz NHBJGAPSMJFRON-YCGZWQSFSA-N 1 0 534.726 3.770 1 0 KHAFRO CC(=O)Nc1cccc(OP(=O)(Oc2cccc(NC(C)=O)c2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000013795504 561729946 /nfs/dbraw/zinc/72/99/46/561729946.db2.gz XMHMASPVMCENCG-BJKOFHAPSA-N 1 0 514.519 3.955 1 0 KHAFRO CC(=O)Nc1cccc(OP(=O)(Oc2cccc(NC(C)=O)c2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000013795507 561729974 /nfs/dbraw/zinc/72/99/74/561729974.db2.gz XMHMASPVMCENCG-ZEQRLZLVSA-N 1 0 514.519 3.955 1 0 KHAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000013795510 561729959 /nfs/dbraw/zinc/72/99/59/561729959.db2.gz ZZFRSAFCNPHDAO-ZEQRLZLVSA-N 1 0 514.519 3.955 1 0 KHAFRO COC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)OC)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000013795519 561729934 /nfs/dbraw/zinc/72/99/34/561729934.db2.gz CZVZUMPGITZXJL-FCHUYYIVSA-N 1 0 516.487 3.611 1 0 KHAFRO COC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)OC)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000013795522 561729957 /nfs/dbraw/zinc/72/99/57/561729957.db2.gz CZVZUMPGITZXJL-VXKWHMMOSA-N 1 0 516.487 3.611 1 0 KHAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000013798160 561730150 /nfs/dbraw/zinc/73/01/50/561730150.db2.gz UVKFXUSMAGFAHF-GDLZYMKVSA-N 1 0 503.551 3.763 1 0 KHAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000013798163 561730177 /nfs/dbraw/zinc/73/01/77/561730177.db2.gz UVKFXUSMAGFAHF-LJAQVGFWSA-N 1 0 503.551 3.763 1 0 KHAFRO CN(Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000013802486 561730787 /nfs/dbraw/zinc/73/07/87/561730787.db2.gz JPSOZHHZNISERU-UHFFFAOYSA-N 1 0 506.676 3.681 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013802635 561730943 /nfs/dbraw/zinc/73/09/43/561730943.db2.gz VFBRUMHJLLKXHR-FZOJFBDTSA-N 1 0 501.671 3.917 1 0 KHAFRO COC(=O)c1ccc2sc3c([nH]c(=O)n(CC[N@@H+]4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1 ZINC000013807871 561731580 /nfs/dbraw/zinc/73/15/80/561731580.db2.gz IUVZIQRYAOYUSW-OXJNMPFZSA-N 1 0 505.596 3.774 1 0 KHAFRO C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl)C(F)(F)F ZINC000013808771 561731614 /nfs/dbraw/zinc/73/16/14/561731614.db2.gz QRPZFMFZNJHOTN-OAQYLSRUSA-N 1 0 519.973 3.535 1 0 KHAFRO O=C(NCCC[NH+]1CCC(c2ccccn2)CC1)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000013809183 561731777 /nfs/dbraw/zinc/73/17/77/561731777.db2.gz IMUVOXNSMVUHSB-OAQYLSRUSA-N 1 0 523.506 3.916 1 0 KHAFRO COc1cc(OC)c(N2CCN(CCC3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)C2=O)c(OC)c1 ZINC000013813745 561731823 /nfs/dbraw/zinc/73/18/23/561731823.db2.gz PBLAPYRVHBZQPW-JOCHJYFZSA-N 1 0 511.619 3.897 1 0 KHAFRO COc1cc(OC)c(N2CCN(CCC3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)C2=O)c(OC)c1 ZINC000013813750 561731896 /nfs/dbraw/zinc/73/18/96/561731896.db2.gz PBLAPYRVHBZQPW-QFIPXVFZSA-N 1 0 511.619 3.897 1 0 KHAFRO COCCOCC[N@H+](CCOC)[C@@H](Cc1ccc(F)cc1)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822178 561732746 /nfs/dbraw/zinc/73/27/46/561732746.db2.gz GVVWJYWBLCXJJI-IBGZPJMESA-N 1 0 516.682 3.645 1 0 KHAFRO COCCOCC[N@H+](CCOC)[C@H](Cc1ccc(F)cc1)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822180 561732796 /nfs/dbraw/zinc/73/27/96/561732796.db2.gz GVVWJYWBLCXJJI-LJQANCHMSA-N 1 0 516.682 3.645 1 0 KHAFRO O=c1nc2[nH]c3ccc(OCCCCc4nnnn4C4CC[NH+](Cc5ccc(F)cc5)CC4)cc3cc-2[nH]1 ZINC000013833433 561733863 /nfs/dbraw/zinc/73/38/63/561733863.db2.gz ARPCKMFBGKESRV-UHFFFAOYSA-N 1 0 516.581 3.769 1 0 KHAFRO Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CC[NH2+]CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000013860401 561734621 /nfs/dbraw/zinc/73/46/21/561734621.db2.gz MNUMOFSSNQUTGL-DEOSSOPVSA-N 1 0 503.474 3.978 1 0 KHAFRO CC[NH+](CC)CCCNC(=O)/C=C/C(=O)Nc1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000013861831 561734751 /nfs/dbraw/zinc/73/47/51/561734751.db2.gz TYPAATJNKNDNOD-MDZDMXLPSA-N 1 0 526.439 3.874 1 0 KHAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C[NH3+])c2)cc1 ZINC000013861918 561734762 /nfs/dbraw/zinc/73/47/62/561734762.db2.gz OYPIEVKYTCFQOU-UHFFFAOYSA-N 1 0 515.517 3.917 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2ccc(Cl)cc2)C1 ZINC000013973059 561735903 /nfs/dbraw/zinc/73/59/03/561735903.db2.gz SEHIFGQYCPBYRU-VSKRKVRLSA-N 1 0 510.988 3.846 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2ccc(Cl)cc2)C1 ZINC000013973064 561735906 /nfs/dbraw/zinc/73/59/06/561735906.db2.gz SEHIFGQYCPBYRU-FSSWDIPSSA-N 1 0 510.988 3.846 1 0 KHAFRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013975072 561735883 /nfs/dbraw/zinc/73/58/83/561735883.db2.gz NWNRAEPFIKOHBQ-DEOSSOPVSA-N 1 0 533.673 3.863 1 0 KHAFRO COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5C[NH+]5CCCC5)cc4)c(=O)c32)cc1 ZINC000013982566 561736013 /nfs/dbraw/zinc/73/60/13/561736013.db2.gz YJVFQVDWQUJXRE-UHFFFAOYSA-N 1 0 520.593 3.942 1 0 KHAFRO O=S1(=O)CCCc2ccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)cc21 ZINC000013983858 561735981 /nfs/dbraw/zinc/73/59/81/561735981.db2.gz WQHRQZTZDQYQHX-MHZLTWQESA-N 1 0 519.704 3.827 1 0 KHAFRO [NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000014140144 561736962 /nfs/dbraw/zinc/73/69/62/561736962.db2.gz ALVGMHQSSHZIGN-RNXOBYDBSA-N 1 0 542.652 3.593 1 0 KHAFRO [NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000014140146 561736947 /nfs/dbraw/zinc/73/69/47/561736947.db2.gz ALVGMHQSSHZIGN-DMTNHVFBSA-N 1 0 542.652 3.593 1 0 KHAFRO Cc1cc(-c2nn(C[C@@H](O)C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1Cl ZINC000014141629 561737055 /nfs/dbraw/zinc/73/70/55/561737055.db2.gz BDILYKJUXTXFME-QFIPXVFZSA-N 1 0 599.157 3.583 1 0 KHAFRO COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000014209910 561737763 /nfs/dbraw/zinc/73/77/63/561737763.db2.gz SDXNKLFMLKIOBP-MUUNZHRXSA-N 1 0 632.633 3.584 1 0 KHAFRO NC(=[NH2+])N[C@H](C(=O)NCC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)n[nH]2)CC1)C1CCCCC1 ZINC000014880971 561740055 /nfs/dbraw/zinc/74/00/55/561740055.db2.gz SSSXBBASYYVGCI-QHCPKHFHSA-N 1 0 534.492 3.638 1 0 KHAFRO NC(=[NH2+])N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)n[nH]2)CC1)C1CCCCC1 ZINC000014880973 561740050 /nfs/dbraw/zinc/74/00/50/561740050.db2.gz SSSXBBASYYVGCI-HSZRJFAPSA-N 1 0 534.492 3.638 1 0 in-vivo KHAFRO C[C@@H]1OCC[C@@H]1OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942840 561740355 /nfs/dbraw/zinc/74/03/55/561740355.db2.gz UYIDPTWMZFMUKR-VUCAYNMSSA-N 1 0 565.802 3.523 1 0 KHAFRO C[C@H]1OCC[C@H]1OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942842 561740265 /nfs/dbraw/zinc/74/02/65/561740265.db2.gz UYIDPTWMZFMUKR-GSFGBMHFSA-N 1 0 565.802 3.523 1 0 KHAFRO C[C@@H]1OCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942878 561740421 /nfs/dbraw/zinc/74/04/21/561740421.db2.gz WZRBCRPZAJNYRP-MOTZDZOKSA-N 1 0 529.722 3.658 1 0 KHAFRO C[C@H]1OCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942880 561740430 /nfs/dbraw/zinc/74/04/30/561740430.db2.gz WZRBCRPZAJNYRP-XUJNKOSYSA-N 1 0 529.722 3.658 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1 ZINC000014942903 561740451 /nfs/dbraw/zinc/74/04/51/561740451.db2.gz FNTQXASNMYZUHY-HBEKHWMPSA-N 1 0 529.722 3.659 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCCOC1 ZINC000014942905 561740476 /nfs/dbraw/zinc/74/04/76/561740476.db2.gz FNTQXASNMYZUHY-YECVLQETSA-N 1 0 529.722 3.659 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCSC1 ZINC000014943037 561740652 /nfs/dbraw/zinc/74/06/52/561740652.db2.gz SFUSYMKBUIQBHK-FBQZJRKBSA-N 1 0 531.763 3.986 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCSC1 ZINC000014943038 561740570 /nfs/dbraw/zinc/74/05/70/561740570.db2.gz SFUSYMKBUIQBHK-GKLJYDMOSA-N 1 0 531.763 3.986 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@]2(C)OCC[C@@H]12 ZINC000014943078 561740804 /nfs/dbraw/zinc/74/08/04/561740804.db2.gz ZLEDGBHPLZJCAM-WWBVHEESSA-N 1 0 571.759 3.632 1 0 KHAFRO C[C@@H]1C[C@H]2[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[N@@H+]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)CO[C@H]2O1 ZINC000014943079 561740767 /nfs/dbraw/zinc/74/07/67/561740767.db2.gz GULNVBULBGZNHI-OFBJBTPISA-N 1 0 571.759 3.630 1 0 KHAFRO C[C@H]1C[C@H]2[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[N@@H+]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)CO[C@H]2O1 ZINC000014943080 561740820 /nfs/dbraw/zinc/74/08/20/561740820.db2.gz GULNVBULBGZNHI-YQGWVJSMSA-N 1 0 571.759 3.630 1 0 KHAFRO COCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000014943109 561740901 /nfs/dbraw/zinc/74/09/01/561740901.db2.gz OQICOQSTWCHGKT-QUAHOIDUSA-N 1 0 617.784 3.595 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCC(C)(C)O)cc1)NC(=O)OC(C)(C)C ZINC000014943112 561740865 /nfs/dbraw/zinc/74/08/65/561740865.db2.gz IWDXCNVEWVCNBM-QUAHOIDUSA-N 1 0 631.811 3.720 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 ZINC000014943136 561740862 /nfs/dbraw/zinc/74/08/62/561740862.db2.gz SMQRMVSFQHFPRT-QNRWOPMTSA-N 1 0 588.749 3.513 1 0 KHAFRO Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943143 561740886 /nfs/dbraw/zinc/74/08/86/561740886.db2.gz BHYLXIUVVRJDMP-QNRWOPMTSA-N 1 0 602.776 3.822 1 0 KHAFRO Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943149 561741043 /nfs/dbraw/zinc/74/10/43/561741043.db2.gz NKGCIFOXPWDDMH-BTURHGITSA-N 1 0 588.749 3.762 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000014943226 561741114 /nfs/dbraw/zinc/74/11/14/561741114.db2.gz LPPXRQSRGPFEKI-GWMMUDDPSA-N 1 0 557.732 3.960 1 0 KHAFRO CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000014943233 561741125 /nfs/dbraw/zinc/74/11/25/561741125.db2.gz XHJFPXFGHZVVFF-GWMMUDDPSA-N 1 0 541.733 3.598 1 0 KHAFRO CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000014943234 561741160 /nfs/dbraw/zinc/74/11/60/561741160.db2.gz SSBSSFRLIFONBL-GWMMUDDPSA-N 1 0 557.732 3.912 1 0 KHAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000014943366 561741596 /nfs/dbraw/zinc/74/15/96/561741596.db2.gz DHGYJQQCTRWFTI-FKWFRFQNSA-N 1 0 580.770 3.795 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000014943404 561741657 /nfs/dbraw/zinc/74/16/57/561741657.db2.gz IECLGPWENGJZKD-RYTSNQFKSA-N 1 0 596.813 3.941 1 0 KHAFRO CC[NH+](CC)C[C@@H](O)CNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1 ZINC000014944874 561742737 /nfs/dbraw/zinc/74/27/37/561742737.db2.gz CBPCSPAXUJCCML-IUPCOXQMSA-N 1 0 542.015 3.574 1 0 KHAFRO CC[NH+](CC)C[C@H](O)CNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1 ZINC000014944877 561742678 /nfs/dbraw/zinc/74/26/78/561742678.db2.gz CBPCSPAXUJCCML-FNTDYBJHSA-N 1 0 542.015 3.574 1 0 KHAFRO CS(=O)(=O)CC[NH2+]CCCCOc1ccc2ncnc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)c2c1 ZINC000014945055 561742823 /nfs/dbraw/zinc/74/28/23/561742823.db2.gz PEBATQNNPRRNAH-UHFFFAOYSA-N 1 0 554.694 3.999 1 0 KHAFRO Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CC[NH2+]CC4)cc3)ncc12 ZINC000014945421 561742970 /nfs/dbraw/zinc/74/29/70/561742970.db2.gz XUPHGISRHZLRHR-UHFFFAOYSA-N 1 0 530.414 3.973 1 0 KHAFRO COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CC[NH2+]CC2)cc1 ZINC000014945938 561743465 /nfs/dbraw/zinc/74/34/65/561743465.db2.gz ZQABXXSHOAVMAW-CONSDPRKSA-N 1 0 594.152 3.887 1 0 KHAFRO Cc1ccc(-c2cccc(C[C@H]([NH2+]C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)C(N)=O)c2)cc1 ZINC000014945944 561743491 /nfs/dbraw/zinc/74/34/91/561743491.db2.gz GCBWBVFGRKXUJF-CUPIEXAXSA-N 1 0 621.782 3.586 1 0 KHAFRO CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014947140 561744454 /nfs/dbraw/zinc/74/44/54/561744454.db2.gz DGHYBCYYYHRXTG-FIBWVYCGSA-N 1 0 566.768 3.722 1 0 KHAFRO CC1(C)CCC[NH2+][C@@H]1c1ccc([O-])c(C(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)cc2)c1F ZINC000014948566 561744886 /nfs/dbraw/zinc/74/48/86/561744886.db2.gz LLDRWTNKJQFSDC-OYPUMOIUSA-N 1 0 587.696 3.888 1 0 KHAFRO CC1(C)CCC[NH2+][C@H]1c1ccc([O-])c(C(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)cc2)c1F ZINC000014948570 561744859 /nfs/dbraw/zinc/74/48/59/561744859.db2.gz LLDRWTNKJQFSDC-KQZWIPHESA-N 1 0 587.696 3.888 1 0 in-vitro KHAFRO CC1(C)CCCN(c2ccc(O)c(C(=O)c3ccc(C(=O)N[C@@H]4CCC[NH2+]C[C@H]4NC(=O)c4ccncc4)cc3)c2)C1 ZINC000014948580 561744849 /nfs/dbraw/zinc/74/48/49/561744849.db2.gz AHKNXDNYSCVWET-VSGBNLITSA-N 1 0 569.706 3.925 1 0 in-vitro KHAFRO CC1(C)CCN(c2ccc(O)c(C(=O)c3ccc(C(=O)N[C@@H]4CCC[NH2+]C[C@H]4NC(=O)c4ccncc4)cc3)c2)CC1 ZINC000014948586 561744839 /nfs/dbraw/zinc/74/48/39/561744839.db2.gz YGHLZBJWLNYECG-VSGBNLITSA-N 1 0 569.706 3.925 1 0 in-vitro KHAFRO NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(-c3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000014950597 561745654 /nfs/dbraw/zinc/74/56/54/561745654.db2.gz SJYTVKFZNAQXEJ-JOCHJYFZSA-N 1 0 611.646 3.975 1 0 KHAFRO NC(=[NH2+])c1cccc(-n2nc(Cn3ccnc3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000014950699 561745757 /nfs/dbraw/zinc/74/57/57/561745757.db2.gz DGDYVKYCUQMCEL-UHFFFAOYSA-N 1 0 501.554 3.992 1 0 KHAFRO Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(-c3ccccc3C[N@@H+]3CC[C@H](O)C3)cc1)c2=O ZINC000014951242 561745994 /nfs/dbraw/zinc/74/59/94/561745994.db2.gz MZTLUQWQCIFDEZ-QHCPKHFHSA-N 1 0 533.592 3.837 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1 ZINC000014951912 561746297 /nfs/dbraw/zinc/74/62/97/561746297.db2.gz GUOVHJVNYPRNQS-SHUILBLCSA-N 1 0 560.739 3.902 1 0 KHAFRO C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)[NH+](C)C ZINC000014951919 561746215 /nfs/dbraw/zinc/74/62/15/561746215.db2.gz BUZJMOVADKEUOX-PQHTXYTPSA-N 1 0 548.728 3.710 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2ccccc2F)cc1 ZINC000014955968 561747498 /nfs/dbraw/zinc/74/74/98/561747498.db2.gz MNJNEEWRIGUWNZ-UHFFFAOYSA-N 1 0 533.007 3.958 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2cccc(F)c2)cc1 ZINC000014955973 561747444 /nfs/dbraw/zinc/74/74/44/561747444.db2.gz VRBWXKKLCRWDAN-UHFFFAOYSA-N 1 0 533.007 3.958 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2ccc(F)cc2)cc1 ZINC000014955977 561747449 /nfs/dbraw/zinc/74/74/49/561747449.db2.gz QNOYEOSGZKTHNO-UHFFFAOYSA-N 1 0 533.007 3.958 1 0 KHAFRO COc1ccccc1-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000014955993 561747628 /nfs/dbraw/zinc/74/76/28/561747628.db2.gz GRYRKUFFQZXKQT-UHFFFAOYSA-N 1 0 545.043 3.827 1 0 KHAFRO COc1cccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000014955997 561747638 /nfs/dbraw/zinc/74/76/38/561747638.db2.gz OHMBRLIRZBKSFP-UHFFFAOYSA-N 1 0 545.043 3.827 1 0 KHAFRO COc1ccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000014956001 561747623 /nfs/dbraw/zinc/74/76/23/561747623.db2.gz FECOGPWHXYISPT-UHFFFAOYSA-N 1 0 545.043 3.827 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NC3CCC3)nc(Cl)c2-c2cccc(Br)c2)cc1 ZINC000014956005 561747627 /nfs/dbraw/zinc/74/76/27/561747627.db2.gz LJCUTNFSRJBKID-UHFFFAOYSA-N 1 0 543.853 3.891 1 0 KHAFRO CNc1cccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000014956016 561747611 /nfs/dbraw/zinc/74/76/11/561747611.db2.gz ABAZYTXCHHQMTO-UHFFFAOYSA-N 1 0 544.059 3.860 1 0 KHAFRO CN(C)c1cccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000014956020 561747604 /nfs/dbraw/zinc/74/76/04/561747604.db2.gz HLXCREKUUBGAKT-UHFFFAOYSA-N 1 0 558.086 3.885 1 0 KHAFRO CC(=O)Nc1cccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000014956024 561747603 /nfs/dbraw/zinc/74/76/03/561747603.db2.gz ZIAJVPWUWWFEKY-UHFFFAOYSA-N 1 0 572.069 3.777 1 0 KHAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+][C@@H](C)C(=O)NCC(C)C)c1 ZINC000014959549 561748235 /nfs/dbraw/zinc/74/82/35/561748235.db2.gz SRFCEZYLYMKEJM-YNOBPPCASA-N 1 0 574.713 3.679 1 0 KHAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+][C@H](C)C(=O)NCC(C)C)c1 ZINC000014959553 561748208 /nfs/dbraw/zinc/74/82/08/561748208.db2.gz SRFCEZYLYMKEJM-AOLGGSBGSA-N 1 0 574.713 3.679 1 0 KHAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+][C@@H](C)C(=O)NCC(C)C)c1 ZINC000014959557 561748229 /nfs/dbraw/zinc/74/82/29/561748229.db2.gz FSBAIGISIGFDRJ-PWUSVURUSA-N 1 0 588.740 3.988 1 0 KHAFRO C=C(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N(C)S(C)(=O)=O)c1 ZINC000014960392 561748356 /nfs/dbraw/zinc/74/83/56/561748356.db2.gz SWKGNUNVEFSXTN-URLMMPGGSA-N 1 0 533.694 3.598 1 0 KHAFRO C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCC[NH3+])cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 ZINC000014960457 561748333 /nfs/dbraw/zinc/74/83/33/561748333.db2.gz VRFDWCQNOBGUBX-JOCHJYFZSA-N 1 0 553.681 3.710 1 0 KHAFRO C[C@H](NC(=O)c1cc(OCC(=O)NCCCCC[NH3+])cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 ZINC000014960461 561748360 /nfs/dbraw/zinc/74/83/60/561748360.db2.gz VRFDWCQNOBGUBX-QFIPXVFZSA-N 1 0 553.681 3.710 1 0 KHAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)C)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014961383 561748470 /nfs/dbraw/zinc/74/84/70/561748470.db2.gz BILACAQKFWZXQE-SPTGULJVSA-N 1 0 612.768 3.803 1 0 KHAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1 ZINC000014961387 561748442 /nfs/dbraw/zinc/74/84/42/561748442.db2.gz SKFPOSFEIUNPPF-YYSPBGNDSA-N 1 0 606.789 3.806 1 0 KHAFRO CCCC[C@H]([NH3+])[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000014961837 561748499 /nfs/dbraw/zinc/74/84/99/561748499.db2.gz RKDSHPWKIYQWRO-IHJXWSBQSA-N 1 0 537.677 3.682 1 0 KHAFRO C[C@H]1C[C@@H]1CNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CCC(F)(F)F)cc(N(C)S(C)(=O)=O)n1 ZINC000014961850 561748465 /nfs/dbraw/zinc/74/84/65/561748465.db2.gz XVKYVWUBZDDZMH-CZGNIMDHSA-N 1 0 541.640 3.556 1 0 KHAFRO CC[C@H]([NH2+]C[C@@H]1Cc2cccc(c2)CCCCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961968 561748572 /nfs/dbraw/zinc/74/85/72/561748572.db2.gz ZGISDIPGHIYETP-YTMVLYRLSA-N 1 0 570.800 3.833 1 0 KHAFRO CC[C@H]([NH2+]C[C@H]1Cc2cccc(c2)CCCCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961972 561748558 /nfs/dbraw/zinc/74/85/58/561748558.db2.gz ZGISDIPGHIYETP-PXJZQJOASA-N 1 0 570.800 3.833 1 0 KHAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@](C)(c1cccc(C(F)(F)F)c1)O2 ZINC000014966381 561750014 /nfs/dbraw/zinc/75/00/14/561750014.db2.gz ONRGYKGRPVMXIR-VWLOTQADSA-N 1 0 528.535 3.666 1 0 KHAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@@](C)(c1cccc(C(F)(F)F)c1)O2 ZINC000014966385 561749961 /nfs/dbraw/zinc/74/99/61/561749961.db2.gz ONRGYKGRPVMXIR-RUZDIDTESA-N 1 0 528.535 3.666 1 0 KHAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCOCCOC)c1)C(C)C ZINC000014967523 561750065 /nfs/dbraw/zinc/75/00/65/561750065.db2.gz VZIKQAWDPRHIDW-VZVHPENPSA-N 1 0 510.716 3.573 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCS(=O)(=O)C(C)(C)C)C(C)C)ccc1OC ZINC000014967635 561750043 /nfs/dbraw/zinc/75/00/43/561750043.db2.gz BDQCTBNJTNSECC-DNZIZEQUSA-N 1 0 586.836 3.749 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC ZINC000014967643 561750099 /nfs/dbraw/zinc/75/00/99/561750099.db2.gz OOWLJDUZVJCLKH-LWGQKRLESA-N 1 0 529.722 3.784 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCc2c[nH]cn2)C(C)C)ccc1OC ZINC000014967646 561750261 /nfs/dbraw/zinc/75/02/61/561750261.db2.gz SDDHPSMLTREVNN-KCQQGECQSA-N 1 0 532.726 3.502 1 0 KHAFRO CNC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000014967700 561750243 /nfs/dbraw/zinc/75/02/43/561750243.db2.gz PUQJJMBLZVDXHQ-CQJMVLFOSA-N 1 0 565.796 3.554 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCCC(=O)N(C)C)C(C)C)C(C)C)ccc1OC ZINC000014967709 561750250 /nfs/dbraw/zinc/75/02/50/561750250.db2.gz XBOCFPJGRTXVKU-FWEHEUNISA-N 1 0 565.796 3.650 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)N2CCOCC2)C(C)C)C(C)C)ccc1OC ZINC000014967722 561750238 /nfs/dbraw/zinc/75/02/38/561750238.db2.gz ZYTAQNNNERNCLD-DZUOILHNSA-N 1 0 593.850 3.893 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NC(C)(C)CN2CCOCC2)C(C)C)C(C)C)ccc1OC ZINC000014967726 561750257 /nfs/dbraw/zinc/75/02/57/561750257.db2.gz JVYLCMUQEXFLRY-DZUOILHNSA-N 1 0 593.850 3.893 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@@H](C)CN2CCOCC2)C(C)C)C(C)C)ccc1OC ZINC000014967729 561750255 /nfs/dbraw/zinc/75/02/55/561750255.db2.gz GXKXZOBHPDKZAS-CISYKLKFSA-N 1 0 579.823 3.503 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@H](C)CN2CCOCC2)C(C)C)C(C)C)ccc1OC ZINC000014967734 561750259 /nfs/dbraw/zinc/75/02/59/561750259.db2.gz GXKXZOBHPDKZAS-QDXQZTBOSA-N 1 0 579.823 3.503 1 0 KHAFRO COCCCCc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCN2CCOCC2)C(C)C)C(C)C)ccc1OC ZINC000014967746 561750225 /nfs/dbraw/zinc/75/02/25/561750225.db2.gz YPPZEAOHIDLQFO-KRCBVYEFSA-N 1 0 563.824 3.668 1 0 KHAFRO COCCCCc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014967750 561750254 /nfs/dbraw/zinc/75/02/54/561750254.db2.gz UQHGXIYMBKTNGA-FWEHEUNISA-N 1 0 549.797 3.847 1 0 KHAFRO COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969378 561750606 /nfs/dbraw/zinc/75/06/06/561750606.db2.gz OLQWKYOEBUBVRX-RUZDIDTESA-N 1 0 572.687 3.721 1 0 KHAFRO CNC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014969393 561750564 /nfs/dbraw/zinc/75/05/64/561750564.db2.gz KXKURQAXASTNBV-RUZDIDTESA-N 1 0 551.647 3.677 1 0 KHAFRO COc1ccc(-n2nc(N)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969409 561750689 /nfs/dbraw/zinc/75/06/89/561750689.db2.gz IWJWKIXKIBPVSL-XMMPIXPASA-N 1 0 509.610 3.900 1 0 KHAFRO COc1ccc(-n2nc(Cn3ccnn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969434 561750730 /nfs/dbraw/zinc/75/07/30/561750730.db2.gz WEKJJVKHRKQPFJ-HHHXNRCGSA-N 1 0 575.673 3.957 1 0 KHAFRO COc1ccc(-n2nc(Cn3nccn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969439 561750723 /nfs/dbraw/zinc/75/07/23/561750723.db2.gz JFZUXBACKAQZEY-HHHXNRCGSA-N 1 0 575.673 3.957 1 0 KHAFRO COc1ccc(-n2nc(Cn3cncn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969443 561750718 /nfs/dbraw/zinc/75/07/18/561750718.db2.gz CDRVDOQSQDVYKT-HHHXNRCGSA-N 1 0 575.673 3.957 1 0 KHAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4C[NH+]4CCC(O)CC4)cc2)CC3)cc1 ZINC000014969479 561750729 /nfs/dbraw/zinc/75/07/29/561750729.db2.gz WYYUKFPDEPUPIJ-UHFFFAOYSA-N 1 0 551.647 3.806 1 0 KHAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)NC3CCN(c4ccccc4C[N@@H+]4CCC[C@H]4O)CC3)cc12 ZINC000014969560 561750720 /nfs/dbraw/zinc/75/07/20/561750720.db2.gz IYCGPDFYFRTXIV-RUZDIDTESA-N 1 0 569.588 3.928 1 0 KHAFRO C[NH2+]Cc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1 ZINC000014969565 561750712 /nfs/dbraw/zinc/75/07/12/561750712.db2.gz JNNNQOVXXHMSBM-UHFFFAOYSA-N 1 0 513.524 3.733 1 0 KHAFRO CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3[C@]1(C)CO ZINC000014969866 561750871 /nfs/dbraw/zinc/75/08/71/561750871.db2.gz PZQLEQUEGAJQMS-PDIVMOMKSA-N 1 0 502.740 3.639 1 0 KHAFRO CC(C)C(=O)N[C@H]1CC=C2C[C@H]3C(=O)C[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000014969870 561750824 /nfs/dbraw/zinc/75/08/24/561750824.db2.gz FENKOJPRFYQGAG-ZRRPKQBOSA-N 1 0 502.740 3.805 1 0 KHAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])c(OC)c1 ZINC000014970396 561750963 /nfs/dbraw/zinc/75/09/63/561750963.db2.gz UBXHWKKKGGECRZ-HHHXNRCGSA-N 1 0 538.652 3.969 1 0 KHAFRO COc1ccc(-n2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])c(OC)c1 ZINC000014970408 561750951 /nfs/dbraw/zinc/75/09/51/561750951.db2.gz MSFIVLSDUGNPCO-RUZDIDTESA-N 1 0 524.625 3.910 1 0 KHAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000014970480 561750973 /nfs/dbraw/zinc/75/09/73/561750973.db2.gz MOJIJWBWUZNLBR-RKJPZGCHSA-N 1 0 564.690 3.724 1 0 KHAFRO CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000014974804 561752128 /nfs/dbraw/zinc/75/21/28/561752128.db2.gz YLZJPRNJPBCDDK-QGZVFWFLSA-N 1 0 512.010 3.516 1 0 KHAFRO CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000014974807 561752104 /nfs/dbraw/zinc/75/21/04/561752104.db2.gz YLZJPRNJPBCDDK-KRWDZBQOSA-N 1 0 512.010 3.516 1 0 KHAFRO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014978251 561752673 /nfs/dbraw/zinc/75/26/73/561752673.db2.gz LCDMIYWQGJMRDQ-RUZDIDTESA-N 1 0 531.682 3.993 1 0 KHAFRO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014978258 561752679 /nfs/dbraw/zinc/75/26/79/561752679.db2.gz LCDMIYWQGJMRDQ-VWLOTQADSA-N 1 0 531.682 3.993 1 0 KHAFRO CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(NCC[NH+](C)C)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O ZINC000015879889 561753074 /nfs/dbraw/zinc/75/30/74/561753074.db2.gz VCWFHOGSSDBXGH-LMZWQJSESA-N 1 0 618.772 3.532 1 0 KHAFRO COc1cc2c(cc1OC[C@@H](O)C[NH+]1CCCCC1)ncnc2Nc1cnc(NC(=O)c2ccccc2)nc1 ZINC000016051861 561753758 /nfs/dbraw/zinc/75/37/58/561753758.db2.gz WHHFZOIADLFZRX-NRFANRHFSA-N 1 0 529.601 3.650 1 0 in-vitro KHAFRO CCCCCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000016052614 561754099 /nfs/dbraw/zinc/75/40/99/561754099.db2.gz FBMGVFBNGKNQCB-WTWMYVDVSA-N 1 0 571.784 3.780 1 0 in-vitro KHAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3)cc2)c(Cl)c1 ZINC000016955535 561754175 /nfs/dbraw/zinc/75/41/75/561754175.db2.gz PAWJRTBYHZHSKJ-UHFFFAOYSA-N 1 0 514.007 3.872 1 0 KHAFRO CC1(C)C/N=C/[C@@](C)(OCc2ccccc2)C(=O)NC(C)(C)C/[NH+]=C/[C@@](C)(OCc2ccccc2)C(=O)N1 ZINC000017218298 561754346 /nfs/dbraw/zinc/75/43/46/561754346.db2.gz SEGFYKICHJQPLU-RFOWBAOCSA-N 1 0 520.674 3.882 1 0 KHAFRO C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575573 561758684 /nfs/dbraw/zinc/75/86/84/561758684.db2.gz CAIJFMDXPOQBBO-UHFFFAOYSA-N 1 0 531.101 3.617 1 0 KHAFRO C[NH+]1CCN(CCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575578 561758622 /nfs/dbraw/zinc/75/86/22/561758622.db2.gz MZHDJODOGXWMJO-UHFFFAOYSA-N 1 0 531.101 3.617 1 0 KHAFRO Cc1ccc(-n2ncc(C(=O)NCCN3CC[NH+](C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000020575595 561758713 /nfs/dbraw/zinc/75/87/13/561758713.db2.gz LNCFXCHRZCXDHZ-UHFFFAOYSA-N 1 0 524.710 3.581 1 0 KHAFRO Cc1ccc(-n2ncc(C(=O)NCCCN3CC[NH+](C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000020576169 561758661 /nfs/dbraw/zinc/75/86/61/561758661.db2.gz ANXURYFZNVOZOQ-UHFFFAOYSA-N 1 0 538.737 3.971 1 0 KHAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)CC[NH+]3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022448685 561759201 /nfs/dbraw/zinc/75/92/01/561759201.db2.gz NUESWDDVLSAUMU-YWZSZGKRSA-N 1 0 552.668 3.964 1 0 KHAFRO O[C@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022449015 561759214 /nfs/dbraw/zinc/75/92/14/561759214.db2.gz NQHBITGSRALMRC-IZZNHLLZSA-N 1 0 528.657 3.672 1 0 KHAFRO OC1(c2ccc3c(c2)OCO3)CCC([NH+]2CCN(Cc3ccccc3I)CC2)CC1 ZINC000022926618 561759754 /nfs/dbraw/zinc/75/97/54/561759754.db2.gz ZSNZIJNDMPDMMB-UHFFFAOYSA-N 1 0 520.411 3.968 1 0 KHAFRO O=C1CC[C@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccncc1 ZINC000022927835 561760119 /nfs/dbraw/zinc/76/01/19/561760119.db2.gz YJFJARHPWLIXRW-AREMUKBSSA-N 1 0 503.474 3.855 1 0 KHAFRO O=C1CC[C@@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccncc1 ZINC000022927839 561760101 /nfs/dbraw/zinc/76/01/01/561760101.db2.gz YJFJARHPWLIXRW-SANMLTNESA-N 1 0 503.474 3.855 1 0 KHAFRO CC(=O)NC1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927871 561760037 /nfs/dbraw/zinc/76/00/37/561760037.db2.gz OPIVNHLWYYGXFZ-HHHXNRCGSA-N 1 0 521.533 3.938 1 0 KHAFRO CCNC(=O)Nc1nc2cc(NCCCN3CC[NH+](C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1 ZINC000022933806 561760558 /nfs/dbraw/zinc/76/05/58/561760558.db2.gz KZMWAICISUWYLE-UHFFFAOYSA-N 1 0 507.639 3.505 1 0 KHAFRO COc1cc(OC)cc(-c2cc3cnc(NCCCN4CC[NH+](C)CC4)nc3nc2NC(=O)NC(C)(C)C)c1 ZINC000022933829 561760497 /nfs/dbraw/zinc/76/04/97/561760497.db2.gz VYWXBPWMVHMUQW-UHFFFAOYSA-N 1 0 536.681 3.678 1 0 KHAFRO O[C@@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022935825 561760694 /nfs/dbraw/zinc/76/06/94/561760694.db2.gz NQHBITGSRALMRC-FTJBHMTQSA-N 1 0 528.657 3.672 1 0 KHAFRO O[C@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022935829 561760703 /nfs/dbraw/zinc/76/07/03/561760703.db2.gz NQHBITGSRALMRC-UIOOFZCWSA-N 1 0 528.657 3.672 1 0 KHAFRO O[C@@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022935834 561760738 /nfs/dbraw/zinc/76/07/38/561760738.db2.gz NQHBITGSRALMRC-CLJLJLNGSA-N 1 0 528.657 3.672 1 0 KHAFRO O[C@H](Cn1cnc2c1ncnc2-c1ccncc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937631 561760944 /nfs/dbraw/zinc/76/09/44/561760944.db2.gz BANZPIDUCBWBKP-SANMLTNESA-N 1 0 505.626 3.656 1 0 KHAFRO O[C@H](Cn1cnc(-c2ccncc2)c2ncnc1-2)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937635 561760805 /nfs/dbraw/zinc/76/08/05/561760805.db2.gz ACGLHSQAEOOPAB-SANMLTNESA-N 1 0 505.626 3.608 1 0 KHAFRO CN1CC2(CC[NH+]([C@@H]3CN(Cc4cccc(I)c4)CC[C@H]3O)CC2)c2ccccc21 ZINC000022938850 561760923 /nfs/dbraw/zinc/76/09/23/561760923.db2.gz ISUWGPKMWKZLHR-DNQXCXABSA-N 1 0 517.455 3.710 1 0 KHAFRO CC(=O)NCCCCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000022940215 561761063 /nfs/dbraw/zinc/76/10/63/561761063.db2.gz ABZHOKIUWQKMER-UHFFFAOYSA-N 1 0 520.678 3.796 1 0 KHAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3CCCCCC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357725 561761535 /nfs/dbraw/zinc/76/15/35/561761535.db2.gz QFEKPGPVGJUOKF-OXMBMXHISA-N 1 0 648.911 3.520 1 0 KHAFRO C[NH+]1CCN(CCOc2cc3ncnc(Nc4c(Cl)ccc5c4OCCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000023358079 561761969 /nfs/dbraw/zinc/76/19/69/561761969.db2.gz IOXLERDREGOQSP-UHFFFAOYSA-N 1 0 556.063 3.982 1 0 KHAFRO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1 ZINC000024926684 561762597 /nfs/dbraw/zinc/76/25/97/561762597.db2.gz FZTXBRKPIRTQCY-QEGDFHJFSA-N 1 0 653.821 3.804 1 0 in-vitro KHAFRO [NH3+]C1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1 ZINC000024970265 561762592 /nfs/dbraw/zinc/76/25/92/561762592.db2.gz YQQFRBUHZZNTGY-UHFFFAOYSA-N 1 0 535.555 3.614 1 0 in-vitro KHAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1 ZINC000025419137 561762615 /nfs/dbraw/zinc/76/26/15/561762615.db2.gz OFYUUXIYRPQSFG-VWLOTQADSA-N 1 0 562.733 3.524 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=[NH2+])NN)s1)C(c1ccccc1)c1ccccc1 ZINC000025976392 561763529 /nfs/dbraw/zinc/76/35/29/561763529.db2.gz FZCBDBRNODNYCX-JYFHCDHNSA-N 1 0 590.750 3.869 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)NC2CCCCC2)C(c2ccccc2)c2ccccc2)cc1 ZINC000025976821 561763510 /nfs/dbraw/zinc/76/35/10/561763510.db2.gz BKYXVFZXQLZWMC-IGYGKHONSA-N 1 0 630.815 3.535 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000025976833 561763726 /nfs/dbraw/zinc/76/37/26/561763726.db2.gz QFUJUIZFTCKRON-XDFJSJKPSA-N 1 0 623.779 3.898 1 0 KHAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025992590 561764816 /nfs/dbraw/zinc/76/48/16/561764816.db2.gz ZZFRSAFCNPHDAO-DNQXCXABSA-N 1 0 514.519 3.955 1 0 KHAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025992598 561764797 /nfs/dbraw/zinc/76/47/97/561764797.db2.gz ZZFRSAFCNPHDAO-RPWUZVMVSA-N 1 0 514.519 3.955 1 0 KHAFRO CC(=O)Nc1cccc(OP(=O)(Oc2cccc(NC(C)=O)c2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)c1 ZINC000025996933 561765063 /nfs/dbraw/zinc/76/50/63/561765063.db2.gz XMHMASPVMCENCG-DNQXCXABSA-N 1 0 514.519 3.955 1 0 KHAFRO CC(=O)Nc1cccc(OP(=O)(Oc2cccc(NC(C)=O)c2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)c1 ZINC000025996940 561765029 /nfs/dbraw/zinc/76/50/29/561765029.db2.gz XMHMASPVMCENCG-RPWUZVMVSA-N 1 0 514.519 3.955 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)Cn3cc(C4=C(c5c[nH]c6ccccc56)C(=O)NC4=O)c4ccccc43)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000025997008 561765190 /nfs/dbraw/zinc/76/51/90/561765190.db2.gz RBPGIUJJJVKIES-UHFFFAOYSA-N 1 0 713.799 3.939 1 0 KHAFRO COC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)OC)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025997269 561765211 /nfs/dbraw/zinc/76/52/11/561765211.db2.gz CZVZUMPGITZXJL-FGZHOGPDSA-N 1 0 516.487 3.611 1 0 KHAFRO COC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)OC)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025997276 561765192 /nfs/dbraw/zinc/76/51/92/561765192.db2.gz CZVZUMPGITZXJL-YADHBBJMSA-N 1 0 516.487 3.611 1 0 KHAFRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC ZINC000026017597 561766430 /nfs/dbraw/zinc/76/64/30/561766430.db2.gz GICKOTBCFRDBNG-LJQANCHMSA-N 1 0 504.425 3.547 1 0 KHAFRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(CCc3nc(Br)c[nH]3)cc2)cc1OC ZINC000026017604 561766462 /nfs/dbraw/zinc/76/64/62/561766462.db2.gz GICKOTBCFRDBNG-IBGZPJMESA-N 1 0 504.425 3.547 1 0 KHAFRO CC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1 ZINC000026145105 561767058 /nfs/dbraw/zinc/76/70/58/561767058.db2.gz FQLJQZSFHVLNCA-RTOKGZNSSA-N 1 0 624.871 3.886 1 0 KHAFRO CC[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1 ZINC000026145112 561767005 /nfs/dbraw/zinc/76/70/05/561767005.db2.gz FQLJQZSFHVLNCA-CPCREDONSA-N 1 0 624.871 3.886 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCCN2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000026148573 561767406 /nfs/dbraw/zinc/76/74/06/561767406.db2.gz GVGIURATDJMDNM-UYEZAFAQSA-N 1 0 686.891 3.671 1 0 KHAFRO CN(C)C(=O)OCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026154903 561768028 /nfs/dbraw/zinc/76/80/28/561768028.db2.gz HGZGSIWZDXBMDK-VZNYXHRGSA-N 1 0 674.836 3.647 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCC(=O)N2CCCCC2)cc1)NC(=O)OC(C)(C)C ZINC000026159965 561768461 /nfs/dbraw/zinc/76/84/61/561768461.db2.gz CKXAPPBTNSDDKV-GASGPIRDSA-N 1 0 684.875 3.961 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCn2ccnc2)cc1)NC(=O)OC(C)(C)C ZINC000026163582 561768821 /nfs/dbraw/zinc/76/88/21/561768821.db2.gz MMKHYVMEYOSGDI-SYQUUIDJSA-N 1 0 653.821 3.845 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(COC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000026164255 561768936 /nfs/dbraw/zinc/76/89/36/561768936.db2.gz DDHUVWKEFAMGRB-SYQUUIDJSA-N 1 0 686.847 3.539 1 0 KHAFRO CCN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000026172715 561770258 /nfs/dbraw/zinc/77/02/58/561770258.db2.gz KBEXUSAYOYHRJR-UHFFFAOYSA-N 1 0 555.498 3.831 1 0 KHAFRO [NH2+]=C(c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1)N1CCCCC1 ZINC000026177654 561771105 /nfs/dbraw/zinc/77/11/05/561771105.db2.gz HZDFOLZBDXXSNA-UHFFFAOYSA-N 1 0 514.051 3.779 1 0 KHAFRO CCN(C)C(=[NH2+])c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)cc1 ZINC000026180219 561771551 /nfs/dbraw/zinc/77/15/51/561771551.db2.gz YOLJUMYQTUUXDW-UHFFFAOYSA-N 1 0 505.065 3.978 1 0 KHAFRO [NH2+]=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2=O)cc1)N1CCCCC1 ZINC000026180311 561771575 /nfs/dbraw/zinc/77/15/75/561771575.db2.gz HPYXDZDTJDOLMN-UHFFFAOYSA-N 1 0 514.051 3.666 1 0 KHAFRO CN(C)C(=[NH2+])c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000026180461 561771601 /nfs/dbraw/zinc/77/16/01/561771601.db2.gz CTDMCLBHDKWVBZ-UHFFFAOYSA-N 1 0 529.460 3.636 1 0 KHAFRO CCN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)cc1 ZINC000026180486 561771612 /nfs/dbraw/zinc/77/16/12/561771612.db2.gz QGPIYZBUSYLXQT-UHFFFAOYSA-N 1 0 517.076 3.784 1 0 KHAFRO COC(=O)C1CCN(C(=O)C[C@@H]2CN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CCN2C(=O)c2ccc(C3=[NH+]CCN3C)cc2)CC1 ZINC000026181577 561771828 /nfs/dbraw/zinc/77/18/28/561771828.db2.gz SEAINQSKDZVMFT-AREMUKBSSA-N 1 0 686.256 3.564 1 0 KHAFRO COC(=O)C1CCN(C(=O)C[C@H]2CN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CCN2C(=O)c2ccc(C3=[NH+]CCN3C)cc2)CC1 ZINC000026181582 561771857 /nfs/dbraw/zinc/77/18/57/561771857.db2.gz SEAINQSKDZVMFT-SANMLTNESA-N 1 0 686.256 3.564 1 0 KHAFRO [NH2+]=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1)N1CCC1 ZINC000026184909 561772429 /nfs/dbraw/zinc/77/24/29/561772429.db2.gz LVAWPLOEVGPMFJ-UHFFFAOYSA-N 1 0 503.049 3.619 1 0 KHAFRO CN1CCC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000026185758 561772509 /nfs/dbraw/zinc/77/25/09/561772509.db2.gz ZLQBASOJLFMBIA-UHFFFAOYSA-N 1 0 555.498 3.831 1 0 KHAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 ZINC000026187583 561772821 /nfs/dbraw/zinc/77/28/21/561772821.db2.gz PACSDZIXKPFELR-NRFANRHFSA-N 1 0 552.434 3.664 1 0 KHAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 ZINC000026187711 561772817 /nfs/dbraw/zinc/77/28/17/561772817.db2.gz QLHQVTPMIQWMSN-NRFANRHFSA-N 1 0 570.424 3.803 1 0 KHAFRO O=C(c1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)n1)c1ccc(F)cc1 ZINC000026187911 561772986 /nfs/dbraw/zinc/77/29/86/561772986.db2.gz GPTZFWVUPBQJLZ-LJAQVGFWSA-N 1 0 586.649 3.699 1 0 KHAFRO CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCCC[NH3+])NC(=O)c1c[nH]c2ccccc12 ZINC000026189094 561773180 /nfs/dbraw/zinc/77/31/80/561773180.db2.gz HTGHVTIDYUULFH-FQLXRVMXSA-N 1 0 539.680 3.781 1 0 KHAFRO CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)c1c[nH]c2ccccc12 ZINC000026189098 561773196 /nfs/dbraw/zinc/77/31/96/561773196.db2.gz HTGHVTIDYUULFH-URLMMPGGSA-N 1 0 539.680 3.781 1 0 KHAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@@H]2CC(=O)N2CCCC2)cc1 ZINC000026189395 561773309 /nfs/dbraw/zinc/77/33/09/561773309.db2.gz OHBVVYLDUAOZCQ-DEOSSOPVSA-N 1 0 614.193 3.775 1 0 KHAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@H]2CC(=O)N2CCCC2)cc1 ZINC000026189401 561773293 /nfs/dbraw/zinc/77/32/93/561773293.db2.gz OHBVVYLDUAOZCQ-XMMPIXPASA-N 1 0 614.193 3.775 1 0 KHAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc([C@@H](O)c3ccc(F)cc3)n2)cc1 ZINC000026247589 561773626 /nfs/dbraw/zinc/77/36/26/561773626.db2.gz IRIFYJVQERPQGU-KYJUHHDHSA-N 1 0 588.665 3.550 1 0 KHAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc([C@H](O)c3ccc(F)cc3)n2)cc1 ZINC000026247596 561773621 /nfs/dbraw/zinc/77/36/21/561773621.db2.gz IRIFYJVQERPQGU-XZWHSSHBSA-N 1 0 588.665 3.550 1 0 KHAFRO CS(=O)(=O)N(c1ccc(CC[N@H+](CCOc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000026247838 561773640 /nfs/dbraw/zinc/77/36/40/561773640.db2.gz SOQZWGMLEGPIKG-UHFFFAOYSA-N 1 0 502.658 3.536 1 0 KHAFRO O=C(CN1CC[NH+](CCCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026248706 561773688 /nfs/dbraw/zinc/77/36/88/561773688.db2.gz DOPNDYBRRJTHNC-UHFFFAOYSA-N 1 0 566.662 3.786 1 0 KHAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(N)nc3)cc2)cc1 ZINC000026249992 561773878 /nfs/dbraw/zinc/77/38/78/561773878.db2.gz SUROPEFKPIJNCD-VWLOTQADSA-N 1 0 584.743 3.738 1 0 KHAFRO COc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 ZINC000026250649 561774160 /nfs/dbraw/zinc/77/41/60/561774160.db2.gz JZTRKWPPNAMGBV-NRFANRHFSA-N 1 0 582.460 3.673 1 0 KHAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026251348 561774235 /nfs/dbraw/zinc/77/42/35/561774235.db2.gz KQYYPTJJHXOHSS-UHFFFAOYSA-N 1 0 611.187 3.717 1 0 KHAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCCCC[NH+]3CCN(c4ccccc4OC)CC3)n2)CC1 ZINC000026252030 561774217 /nfs/dbraw/zinc/77/42/17/561774217.db2.gz CTZDCVMKMXZGER-UHFFFAOYSA-N 1 0 604.796 3.844 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)/C=C/c4ccccc4)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000026252507 561774372 /nfs/dbraw/zinc/77/43/72/561774372.db2.gz CNXJXKHLKPKQIY-OUKQBFOZSA-N 1 0 598.708 3.540 1 0 KHAFRO CS(=O)(=O)Nc1ccc(CC[N@H+](CCOc2ccc(NS(C)(=O)=O)cc2)Cc2ccccc2)cc1 ZINC000026253873 561774590 /nfs/dbraw/zinc/77/45/90/561774590.db2.gz ANHBBRKNCYZBJB-UHFFFAOYSA-N 1 0 517.673 3.553 1 0 KHAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026254397 561774540 /nfs/dbraw/zinc/77/45/40/561774540.db2.gz LSRWHOCLZIQMCF-UHFFFAOYSA-N 1 0 581.161 3.709 1 0 KHAFRO O=C(c1ccco1)N1CCN(c2ccc(=O)n(CCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026255930 561774849 /nfs/dbraw/zinc/77/48/49/561774849.db2.gz HOEFCEVFUFGXIZ-UHFFFAOYSA-N 1 0 553.107 3.835 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCCCCn2nc(N3CCN(C(=O)c4ccco4)CC3)ccc2=O)CC1 ZINC000026257053 561774947 /nfs/dbraw/zinc/77/49/47/561774947.db2.gz OTDRZQYDOXVGSZ-UHFFFAOYSA-N 1 0 562.715 3.580 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000026262088 561775758 /nfs/dbraw/zinc/77/57/58/561775758.db2.gz AELZJBUUGDANFY-UHFFFAOYSA-N 1 0 583.133 3.843 1 0 KHAFRO C[C@H](O)C[NH2+]C(C)(C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000026262352 561775846 /nfs/dbraw/zinc/77/58/46/561775846.db2.gz OFLDSVMMODSCBT-RBISFHTESA-N 1 0 530.713 3.841 1 0 KHAFRO O=C(c1ccco1)N1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026262606 561775769 /nfs/dbraw/zinc/77/57/69/561775769.db2.gz MYQFHBMUOPPVPJ-UHFFFAOYSA-N 1 0 559.498 3.708 1 0 KHAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C(c2ccccc2)c2ccccc2)C1=O ZINC000026264226 561776044 /nfs/dbraw/zinc/77/60/44/561776044.db2.gz FEJDTCNGPCFLTI-PQHLKRTFSA-N 1 0 592.744 3.877 1 0 KHAFRO Cc1sc(NC=O)cc1C(=O)Nc1nc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)c(C(C)C)s1 ZINC000026268825 561776861 /nfs/dbraw/zinc/77/68/61/561776861.db2.gz PWZFHOWIWVSDNG-UHFFFAOYSA-N 1 0 559.718 3.729 1 0 KHAFRO COc1ccc(C[N@H+](CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)Cc2ccccc2)cc1 ZINC000026269398 561776804 /nfs/dbraw/zinc/77/68/04/561776804.db2.gz JTZODGIGUSUCDX-UHFFFAOYSA-N 1 0 502.658 3.666 1 0 KHAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCC[NH+](C)C)c2)cc1 ZINC000026270838 561777144 /nfs/dbraw/zinc/77/71/44/561777144.db2.gz QAYBUBGSILAAPP-WJOKGBTCSA-N 1 0 563.603 3.780 1 0 KHAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCC[NH+](C)C)c2)cc1 ZINC000026270844 561777138 /nfs/dbraw/zinc/77/71/38/561777138.db2.gz QAYBUBGSILAAPP-HKBQPEDESA-N 1 0 563.603 3.780 1 0 KHAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCN3CC[NH+](C)CC3)c2)cc1 ZINC000026271134 561777351 /nfs/dbraw/zinc/77/73/51/561777351.db2.gz RCWLWRDNZZXMJM-PGUFJCEWSA-N 1 0 632.710 3.856 1 0 KHAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCN3CC[NH+](C)CC3)c2)cc1 ZINC000026271144 561777344 /nfs/dbraw/zinc/77/73/44/561777344.db2.gz RCWLWRDNZZXMJM-DHUJRADRSA-N 1 0 632.710 3.856 1 0 KHAFRO CC(C)n1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C(C)C)c2)n(C)c1 ZINC000026274544 561777900 /nfs/dbraw/zinc/77/79/00/561777900.db2.gz HAZQTHFJDVJZHC-UHFFFAOYSA-N 1 0 552.680 3.544 1 0 KHAFRO Cc1sccc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)n(C)c1 ZINC000026276022 561778316 /nfs/dbraw/zinc/77/83/16/561778316.db2.gz ANMZQQCWHQHXJU-UHFFFAOYSA-N 1 0 592.726 3.510 1 0 KHAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCCN3CC[NH+](C)CC3)c2)cc1 ZINC000026284167 561779543 /nfs/dbraw/zinc/77/95/43/561779543.db2.gz NWLVAXXEZKFLHY-MGBGTMOVSA-N 1 0 572.658 3.839 1 0 KHAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCCN3CC[NH+](C)CC3)c2)cc1 ZINC000026284175 561779584 /nfs/dbraw/zinc/77/95/84/561779584.db2.gz NWLVAXXEZKFLHY-XIFFEERXSA-N 1 0 572.658 3.839 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(O)CC[N@@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000026286101 561779820 /nfs/dbraw/zinc/77/98/20/561779820.db2.gz NXJBGBMSUYPTGF-IREVDNFNSA-N 1 0 585.745 3.945 1 0 KHAFRO CC(C)[C@@H]1NC(=O)/C=C\CCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026286281 561779795 /nfs/dbraw/zinc/77/97/95/561779795.db2.gz OOFHOBZEPRIFQH-GKPXSHGUSA-N 1 0 610.840 3.740 1 0 KHAFRO CC(C)[C@@H]1NC(=O)/C=C\CCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026286287 561779841 /nfs/dbraw/zinc/77/98/41/561779841.db2.gz OOFHOBZEPRIFQH-SDZRMFDYSA-N 1 0 610.840 3.740 1 0 KHAFRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1OC ZINC000026288575 561780241 /nfs/dbraw/zinc/78/02/41/561780241.db2.gz HRSJXESMWJIICU-FQEVSTJZSA-N 1 0 539.654 3.521 1 0 KHAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 ZINC000026291370 561780634 /nfs/dbraw/zinc/78/06/34/561780634.db2.gz UBKDEKNQGPCIFQ-UHFFFAOYSA-N 1 0 542.636 3.922 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295390 561781282 /nfs/dbraw/zinc/78/12/82/561781282.db2.gz BWWVOUZOSLUBHW-KSZBKLKBSA-N 1 0 741.930 3.859 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295393 561781275 /nfs/dbraw/zinc/78/12/75/561781275.db2.gz BWWVOUZOSLUBHW-IDIQCCGYSA-N 1 0 741.930 3.859 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295398 561781288 /nfs/dbraw/zinc/78/12/88/561781288.db2.gz BWWVOUZOSLUBHW-KYKZOAEVSA-N 1 0 741.930 3.859 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295401 561781306 /nfs/dbraw/zinc/78/13/06/561781306.db2.gz BWWVOUZOSLUBHW-ORKPAKSASA-N 1 0 741.930 3.859 1 0 KHAFRO CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296682 561781569 /nfs/dbraw/zinc/78/15/69/561781569.db2.gz MPSUCFFGDLOVOA-RNWCONEOSA-N 1 0 612.856 3.964 1 0 KHAFRO CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296687 561781558 /nfs/dbraw/zinc/78/15/58/561781558.db2.gz MPSUCFFGDLOVOA-PXDORXFNSA-N 1 0 612.856 3.964 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)C1=O ZINC000026297061 561781748 /nfs/dbraw/zinc/78/17/48/561781748.db2.gz KWEFSVHXKREIMX-XMMPIXPASA-N 1 0 509.614 3.625 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)NCCCO)cc2)C1=O ZINC000026297089 561781775 /nfs/dbraw/zinc/78/17/75/561781775.db2.gz JTUXIFFOZRIOBD-HHHXNRCGSA-N 1 0 542.680 3.557 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(CC2CCC(c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000026376106 561781915 /nfs/dbraw/zinc/78/19/15/561781915.db2.gz QKZADABTNTZJFW-ZSHKSDETSA-N 1 0 515.662 3.732 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(CC2=CC[C@@H](c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000026376107 561781889 /nfs/dbraw/zinc/78/18/89/561781889.db2.gz ZTAVIGJORAAVID-HYBUGGRVSA-N 1 0 513.646 3.652 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(CC2=CC[C@H](c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000026376109 561781842 /nfs/dbraw/zinc/78/18/42/561781842.db2.gz ZTAVIGJORAAVID-GBXCKJPGSA-N 1 0 513.646 3.652 1 0 KHAFRO C[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(N)=O)cc2)C1=O ZINC000026376802 561782266 /nfs/dbraw/zinc/78/22/66/561782266.db2.gz ZBLWEVPRVUXZHT-JIPXPUAJSA-N 1 0 542.680 3.556 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)NCCCCO)cc2)C1=O ZINC000026377826 561782533 /nfs/dbraw/zinc/78/25/33/561782533.db2.gz IHROUDPHHSUFMD-MUUNZHRXSA-N 1 0 556.707 3.948 1 0 KHAFRO C[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(CC2CCC(c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000026379186 561782964 /nfs/dbraw/zinc/78/29/64/561782964.db2.gz MWWILZRNRVGGHN-MMLZUSADSA-N 1 0 573.742 3.744 1 0 KHAFRO C[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(CC2=CC[C@@H](c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000026379814 561783221 /nfs/dbraw/zinc/78/32/21/561783221.db2.gz VBUKYBABWIDIEE-WHCXKFMVSA-N 1 0 571.726 3.664 1 0 KHAFRO C[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(CC2=CC[C@H](c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000026379817 561783190 /nfs/dbraw/zinc/78/31/90/561783190.db2.gz VBUKYBABWIDIEE-MRCUYLHHSA-N 1 0 571.726 3.664 1 0 KHAFRO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCC[N@H+](CCc3ccccc3)CC2)cc1 ZINC000026380044 561783212 /nfs/dbraw/zinc/78/32/12/561783212.db2.gz DGMFWKSETUWYHV-WOJGMQOQSA-N 1 0 581.760 3.705 1 0 KHAFRO COc1c(I)cc(C[C@@H]2[NH2+]CCc3nc(NC(C)=O)sc32)cc1I ZINC000026380446 561783352 /nfs/dbraw/zinc/78/33/52/561783352.db2.gz RAENECWVHIAJHM-ZDUSSCGKSA-N 1 0 569.206 3.749 1 0 KHAFRO COc1c(I)cc(C[C@H]2[NH2+]CCc3nc(NC(C)=O)sc32)cc1I ZINC000026380449 561783382 /nfs/dbraw/zinc/78/33/82/561783382.db2.gz RAENECWVHIAJHM-CYBMUJFWSA-N 1 0 569.206 3.749 1 0 KHAFRO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000026382256 561783598 /nfs/dbraw/zinc/78/35/98/561783598.db2.gz ZOTDNUUZUUATAV-LICLKQGHSA-N 1 0 581.760 3.752 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)[C@H]1CCOC1 ZINC000026383958 561783810 /nfs/dbraw/zinc/78/38/10/561783810.db2.gz MGUCDSPLDUZWFB-XXPPFYJHSA-N 1 0 684.882 3.649 1 0 KHAFRO Cc1cc(C)cc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)c1 ZINC000026385234 561784295 /nfs/dbraw/zinc/78/42/95/561784295.db2.gz PEURDYRTFJFAOA-WWPLQOFTSA-N 1 0 670.917 3.614 1 0 KHAFRO CCCCNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CC ZINC000026386279 561784399 /nfs/dbraw/zinc/78/43/99/561784399.db2.gz XZUGYLKCDURJSJ-AFVYQLHNSA-N 1 0 564.771 3.822 1 0 in-vivo KHAFRO CCCCNC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CC ZINC000026386283 561784402 /nfs/dbraw/zinc/78/44/02/561784402.db2.gz XZUGYLKCDURJSJ-VXVYPSLASA-N 1 0 564.771 3.822 1 0 in-vivo KHAFRO CCCCNC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CC ZINC000026386287 561784416 /nfs/dbraw/zinc/78/44/16/561784416.db2.gz XZUGYLKCDURJSJ-OWTRXNHJSA-N 1 0 564.771 3.822 1 0 in-vivo KHAFRO CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CC ZINC000026386292 561784380 /nfs/dbraw/zinc/78/43/80/561784380.db2.gz XZUGYLKCDURJSJ-YJQWPYGTSA-N 1 0 564.771 3.822 1 0 in-vivo KHAFRO CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)[NH2+][C@@H](O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026386300 561784607 /nfs/dbraw/zinc/78/46/07/561784607.db2.gz CGYHWAGHBNRYKO-XJSUNJGQSA-N 1 0 529.722 3.740 1 0 KHAFRO CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)[NH2+][C@@H](O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026386308 561784546 /nfs/dbraw/zinc/78/45/46/561784546.db2.gz CGYHWAGHBNRYKO-ITDQMCTQSA-N 1 0 529.722 3.740 1 0 KHAFRO NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026389469 561785304 /nfs/dbraw/zinc/78/53/04/561785304.db2.gz NRBBJMWUTUBBRV-UHFFFAOYSA-N 1 0 513.646 3.751 1 0 KHAFRO CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=[NH2+])C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 ZINC000026389965 561785506 /nfs/dbraw/zinc/78/55/06/561785506.db2.gz WFOFJUYRBUEJBI-ARDYHYPTSA-N 1 0 601.796 3.709 1 0 KHAFRO NC(=[NH2+])c1ccc(S(=O)(=O)NCC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026392553 561786129 /nfs/dbraw/zinc/78/61/29/561786129.db2.gz RSUUFOSQEAFIJT-UHFFFAOYSA-N 1 0 533.698 3.893 1 0 KHAFRO CCOC(=O)[C@H]1CC2(CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026395388 561786788 /nfs/dbraw/zinc/78/67/88/561786788.db2.gz FOZKMUDHUVEEOZ-JYFHCDHNSA-N 1 0 530.669 3.543 1 0 KHAFRO CCOC(=O)[C@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026395486 561786799 /nfs/dbraw/zinc/78/67/99/561786799.db2.gz VUGOJEFYZBZZBP-AZGAKELHSA-N 1 0 519.686 3.842 1 0 KHAFRO CCOC(=O)C[C@H]1CC2(CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026395737 561786919 /nfs/dbraw/zinc/78/69/19/561786919.db2.gz MYQAPLQODBOKJG-KDYSTLNUSA-N 1 0 544.696 3.933 1 0 KHAFRO NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)NCCC3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000026397648 561787409 /nfs/dbraw/zinc/78/74/09/561787409.db2.gz GQOYJFMZUCEYBH-UHFFFAOYSA-N 1 0 511.630 3.731 1 0 KHAFRO CCOC(=O)C[C@@H]1CC2(CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026403293 561788857 /nfs/dbraw/zinc/78/88/57/561788857.db2.gz MYQAPLQODBOKJG-JIPXPUAJSA-N 1 0 544.696 3.933 1 0 KHAFRO CCOC(=O)C1=C(COCc2cc(=O)n(CC[NH+](C)C)c(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026403907 561789160 /nfs/dbraw/zinc/78/91/60/561789160.db2.gz IBEJLQQFNWGTDU-WWCBRRATSA-N 1 0 594.496 3.702 1 0 KHAFRO CCOC(=O)C1=C(COCc2cc(=O)n(CC[NH+](C)C)c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026403910 561789144 /nfs/dbraw/zinc/78/91/44/561789144.db2.gz IBEJLQQFNWGTDU-NJGKLKBPSA-N 1 0 594.496 3.702 1 0 KHAFRO CC(C)(c1cc2cnccc2o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000026480159 561791573 /nfs/dbraw/zinc/79/15/73/561791573.db2.gz WMTSGCIMPPZQLI-LZVMDTAVSA-N 1 0 723.793 3.948 1 0 KHAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2Cl)C1C(=O)OC ZINC000026481225 561791774 /nfs/dbraw/zinc/79/17/74/561791774.db2.gz YLXUPQIXBOXOPM-XTRDBKMLSA-N 1 0 530.986 3.976 1 0 KHAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2Cl)C1C(=O)OC ZINC000026481236 561791777 /nfs/dbraw/zinc/79/17/77/561791777.db2.gz YLXUPQIXBOXOPM-ZYBJGNRLSA-N 1 0 530.986 3.976 1 0 KHAFRO CC(C)(c1cc2cnccc2o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC2CC2)C1 ZINC000026483531 561792186 /nfs/dbraw/zinc/79/21/86/561792186.db2.gz HPNJYSSQMDYJFF-FNJVQNSVSA-N 1 0 695.861 3.796 1 0 KHAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2Cl)C1C(=O)OCCOC ZINC000026486999 561792532 /nfs/dbraw/zinc/79/25/32/561792532.db2.gz VRXHEWIDZZSBCS-BSSRNLCFSA-N 1 0 575.039 3.993 1 0 KHAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2Cl)C1C(=O)OCCOC ZINC000026487004 561792469 /nfs/dbraw/zinc/79/24/69/561792469.db2.gz VRXHEWIDZZSBCS-GUNDDFSMSA-N 1 0 575.039 3.993 1 0 KHAFRO CC(C)(c1cc2cnccc2o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NC2CC2)C1 ZINC000026491920 561793504 /nfs/dbraw/zinc/79/35/04/561793504.db2.gz YIWOEKZROGXYDW-FPOBZOMASA-N 1 0 681.834 3.548 1 0 KHAFRO O=c1oc2cc3c(cc2n1C1CC[NH+](CCCCN2C(=O)c4ccccc4S2(=O)=O)CC1)CCCC3 ZINC000026495846 561794326 /nfs/dbraw/zinc/79/43/26/561794326.db2.gz MMSKDIBKZJETID-UHFFFAOYSA-N 1 0 509.628 3.735 1 0 KHAFRO CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O ZINC000026496679 561794450 /nfs/dbraw/zinc/79/44/50/561794450.db2.gz HONYGDGBHSDJFC-NDEPHWFRSA-N 1 0 564.712 3.676 1 0 KHAFRO CSc1ccc2c(c1)C(=O)N(CCCC[NH+]1CCC(n3c4ccccc4oc3=O)CC1)S2(=O)=O ZINC000026497373 561794507 /nfs/dbraw/zinc/79/45/07/561794507.db2.gz AACTUBFOGVFADC-UHFFFAOYSA-N 1 0 501.630 3.578 1 0 KHAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCC(NS(C)(=O)=O)CC2)cc(OC)c1 ZINC000026498178 561794695 /nfs/dbraw/zinc/79/46/95/561794695.db2.gz HJGHEUVFPPMJLM-UHFFFAOYSA-N 1 0 554.109 3.885 1 0 KHAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1 ZINC000026499599 561795149 /nfs/dbraw/zinc/79/51/49/561795149.db2.gz RDLVGARUIUOEQM-MHDHXZMLSA-N 1 0 693.874 3.874 1 0 KHAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1 ZINC000026499602 561795116 /nfs/dbraw/zinc/79/51/16/561795116.db2.gz RDLVGARUIUOEQM-DPFTZIENSA-N 1 0 693.874 3.874 1 0 KHAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nc3ccccc3s2)C1 ZINC000026500139 561795263 /nfs/dbraw/zinc/79/52/63/561795263.db2.gz DBUMLGUZNUTCBH-LHGWWSMPSA-N 1 0 693.874 3.874 1 0 KHAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nc3ccccc3s2)C1 ZINC000026500144 561795241 /nfs/dbraw/zinc/79/52/41/561795241.db2.gz DBUMLGUZNUTCBH-WEAWZCMZSA-N 1 0 693.874 3.874 1 0 KHAFRO CCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O ZINC000026500272 561795380 /nfs/dbraw/zinc/79/53/80/561795380.db2.gz WIUBNXGLGAMZDB-NDEPHWFRSA-N 1 0 564.712 3.676 1 0 KHAFRO CC(C)c1ccc(CCCN2CC(=O)N(CC(=O)N[C@@H](C[C@@H]3CCCN(C(N)=[NH2+])C3)C(=O)c3nccs3)[C@H](Cc3ccccc3)C2=O)cc1 ZINC000026500748 561795359 /nfs/dbraw/zinc/79/53/59/561795359.db2.gz WTMKRIUTCMULGY-LHGWWSMPSA-N 1 0 685.895 3.844 1 0 KHAFRO CC(C)c1ccc(CCCN2CC(=O)N(CC(=O)N[C@@H](C[C@H]3CCCN(C(N)=[NH2+])C3)C(=O)c3nccs3)[C@H](Cc3ccccc3)C2=O)cc1 ZINC000026500752 561795372 /nfs/dbraw/zinc/79/53/72/561795372.db2.gz WTMKRIUTCMULGY-WEAWZCMZSA-N 1 0 685.895 3.844 1 0 KHAFRO COC1=C(Br)C[C@@]2(ON=C(C(=O)NCCOc3c(Br)cc(CC[NH3+])cc3Br)[C@@H]2O)OC=C1Br ZINC000026504923 561796427 /nfs/dbraw/zinc/79/64/27/561796427.db2.gz HXZJJMWWLXYLEN-ICSRJNTNSA-N 1 0 719.019 3.561 1 0 KHAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1 ZINC000026505589 561796586 /nfs/dbraw/zinc/79/65/86/561796586.db2.gz RDLVGARUIUOEQM-JWBZKWLISA-N 1 0 693.874 3.874 1 0 KHAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1 ZINC000026505595 561796568 /nfs/dbraw/zinc/79/65/68/561796568.db2.gz RDLVGARUIUOEQM-FZPFXXBJSA-N 1 0 693.874 3.874 1 0 KHAFRO CCOC(=O)[C@H]1C[N@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 ZINC000026505762 561796593 /nfs/dbraw/zinc/79/65/93/561796593.db2.gz IPBOROXXRHATRV-IRLDBZIGSA-N 1 0 505.036 3.934 1 0 KHAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3cccnc3)C2)cc(OC)c1OC ZINC000026506112 561796642 /nfs/dbraw/zinc/79/66/42/561796642.db2.gz OODXEPDKPLMODS-JGCGQSQUSA-N 1 0 572.706 3.801 1 0 KHAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3cccnc3)C2)cc(OC)c1OC ZINC000026506117 561796669 /nfs/dbraw/zinc/79/66/69/561796669.db2.gz OODXEPDKPLMODS-YTTGMZPUSA-N 1 0 572.706 3.801 1 0 KHAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)N[C@@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1N ZINC000026569775 561797791 /nfs/dbraw/zinc/79/77/91/561797791.db2.gz FVWOQQUJLKESGH-YTTGMZPUSA-N 1 0 552.679 3.794 1 0 KHAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1N ZINC000026569778 561797786 /nfs/dbraw/zinc/79/77/86/561797786.db2.gz FVWOQQUJLKESGH-JGCGQSQUSA-N 1 0 552.679 3.794 1 0 KHAFRO CC[C@@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC(C)(C)CC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026570295 561798056 /nfs/dbraw/zinc/79/80/56/561798056.db2.gz QUAVQDGUWIKCME-YRPFWFDPSA-N 1 0 672.871 3.758 1 0 KHAFRO CC[C@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC(C)(C)CC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026570299 561798015 /nfs/dbraw/zinc/79/80/15/561798015.db2.gz QUAVQDGUWIKCME-ACRCOBMYSA-N 1 0 672.871 3.758 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 ZINC000026570322 561798005 /nfs/dbraw/zinc/79/80/05/561798005.db2.gz HRSKRFLJBFZQHV-XFTNXAEASA-N 1 0 547.696 3.534 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 ZINC000026570329 561798008 /nfs/dbraw/zinc/79/80/08/561798008.db2.gz HRSKRFLJBFZQHV-ICYKMPLBSA-N 1 0 547.696 3.534 1 0 KHAFRO CN1Cc2ccccc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)[NH+]=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000026570957 561798033 /nfs/dbraw/zinc/79/80/33/561798033.db2.gz IJAJVAUHQSKHPS-AREMUKBSSA-N 1 0 526.684 3.996 1 0 KHAFRO CN1Cc2ccccc2[C@H](c2ccc(NS(C)(=O)=O)cc2)[NH+]=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000026570961 561798165 /nfs/dbraw/zinc/79/81/65/561798165.db2.gz IJAJVAUHQSKHPS-SANMLTNESA-N 1 0 526.684 3.996 1 0 KHAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CCC(C)(C)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026571664 561798286 /nfs/dbraw/zinc/79/82/86/561798286.db2.gz URMGTHDKGGUKBM-CPCREDONSA-N 1 0 672.871 3.758 1 0 KHAFRO CC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026574779 561798935 /nfs/dbraw/zinc/79/89/35/561798935.db2.gz KOCPXNIDWVTSNN-LDAZMUTJSA-N 1 0 674.843 3.873 1 0 KHAFRO CC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026574781 561798918 /nfs/dbraw/zinc/79/89/18/561798918.db2.gz KOCPXNIDWVTSNN-IMQOFUTHSA-N 1 0 674.843 3.873 1 0 KHAFRO CC[C@@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(C)(C)C1=O ZINC000026575022 561799076 /nfs/dbraw/zinc/79/90/76/561799076.db2.gz DBZJPOUDNFSPHJ-YRPFWFDPSA-N 1 0 672.871 3.758 1 0 KHAFRO CC[C@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(C)(C)C1=O ZINC000026575024 561799046 /nfs/dbraw/zinc/79/90/46/561799046.db2.gz DBZJPOUDNFSPHJ-ACRCOBMYSA-N 1 0 672.871 3.758 1 0 KHAFRO O[C@H](Cn1cnc2c1ncnc2-n1cccc1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026575662 561799401 /nfs/dbraw/zinc/79/94/01/561799401.db2.gz CQVDGXSPCVSVEU-VWLOTQADSA-N 1 0 529.595 3.663 1 0 KHAFRO O[C@@H](Cn1cnc2c1ncnc2-n1cccc1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026575663 561799410 /nfs/dbraw/zinc/79/94/10/561799410.db2.gz CQVDGXSPCVSVEU-RUZDIDTESA-N 1 0 529.595 3.663 1 0 KHAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1ccc(C[NH3+])cc1)C(=O)N(C)C1CCCC1 ZINC000026575726 561799371 /nfs/dbraw/zinc/79/93/71/561799371.db2.gz DVKCHTQFYTXMIO-VWLOTQADSA-N 1 0 508.688 3.655 1 0 KHAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1N(S(C)(=O)=O)S(C)(=O)=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000026575881 561799543 /nfs/dbraw/zinc/79/95/43/561799543.db2.gz SNYLHFRRQZSHNT-HXUWFJFHSA-N 1 0 562.541 3.557 1 0 KHAFRO O=S(=O)(Cc1ccccc1)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000026576039 561799836 /nfs/dbraw/zinc/79/98/36/561799836.db2.gz OLZJRIZEUXYZLZ-UHFFFAOYSA-N 1 0 516.111 3.818 1 0 KHAFRO Cc1ccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000026576178 561799970 /nfs/dbraw/zinc/79/99/70/561799970.db2.gz LLYPRGQPHQZUJB-UHFFFAOYSA-N 1 0 516.111 3.985 1 0 KHAFRO Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576400 561800252 /nfs/dbraw/zinc/80/02/52/561800252.db2.gz GGIWZHREYMKKRP-NAKRPHOHSA-N 1 0 507.642 3.694 1 0 KHAFRO Cc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576401 561800235 /nfs/dbraw/zinc/80/02/35/561800235.db2.gz GGIWZHREYMKKRP-LEAFIULHSA-N 1 0 507.642 3.694 1 0 KHAFRO Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576402 561800216 /nfs/dbraw/zinc/80/02/16/561800216.db2.gz GGIWZHREYMKKRP-LSYYVWMOSA-N 1 0 507.642 3.694 1 0 KHAFRO Cc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576403 561800179 /nfs/dbraw/zinc/80/01/79/561800179.db2.gz GGIWZHREYMKKRP-LBNVMWSVSA-N 1 0 507.642 3.694 1 0 KHAFRO O[C@H](Cn1cnc2c1ncnc2-n1cccc1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000026576621 561800462 /nfs/dbraw/zinc/80/04/62/561800462.db2.gz IEYPQOYWERAGON-SANMLTNESA-N 1 0 508.626 3.626 1 0 KHAFRO O[C@@H](Cn1cnc2c1ncnc2-n1cccc1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000026576622 561800458 /nfs/dbraw/zinc/80/04/58/561800458.db2.gz IEYPQOYWERAGON-AREMUKBSSA-N 1 0 508.626 3.626 1 0 KHAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccccc1 ZINC000026577266 561801197 /nfs/dbraw/zinc/80/11/97/561801197.db2.gz DPOKNHBDCMCOHK-UHFFFAOYSA-N 1 0 502.084 3.676 1 0 KHAFRO O[C@H](Cn1cnc2c1ncnc2-n1cccc1)C[N@@H+]1CCCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577273 561801226 /nfs/dbraw/zinc/80/12/26/561801226.db2.gz UYVLBQUNYPQHEC-SANMLTNESA-N 1 0 507.642 3.775 1 0 KHAFRO O[C@@H](Cn1cnc2c1ncnc2-n1cccc1)C[N@@H+]1CCCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577274 561801251 /nfs/dbraw/zinc/80/12/51/561801251.db2.gz UYVLBQUNYPQHEC-AREMUKBSSA-N 1 0 507.642 3.775 1 0 KHAFRO CC(=O)c1cccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)c1 ZINC000026577502 561801768 /nfs/dbraw/zinc/80/17/68/561801768.db2.gz ITCVVLPWOBTDQR-UHFFFAOYSA-N 1 0 544.121 3.879 1 0 KHAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccccc1F ZINC000026577512 561801726 /nfs/dbraw/zinc/80/17/26/561801726.db2.gz OMHOPGPOYWXTOA-UHFFFAOYSA-N 1 0 520.074 3.816 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CN2C(=O)c3cccc4c(N)ccc(c43)C2=O)CC1 ZINC000026577607 561801849 /nfs/dbraw/zinc/80/18/49/561801849.db2.gz XGROYDBQYXXGJQ-UHFFFAOYSA-N 1 0 537.016 3.831 1 0 KHAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccs1 ZINC000026577768 561802279 /nfs/dbraw/zinc/80/22/79/561802279.db2.gz GLDYZECFXDVESI-UHFFFAOYSA-N 1 0 508.113 3.738 1 0 KHAFRO O[C@H](Cn1cnc2c1ncnc2N1CCCCC1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026578083 561802570 /nfs/dbraw/zinc/80/25/70/561802570.db2.gz YBQPBSZAYGRLLR-SANMLTNESA-N 1 0 511.674 3.585 1 0 KHAFRO O[C@@H](Cn1cnc2c1ncnc2N1CCCCC1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026578084 561802639 /nfs/dbraw/zinc/80/26/39/561802639.db2.gz YBQPBSZAYGRLLR-AREMUKBSSA-N 1 0 511.674 3.585 1 0 KHAFRO CC(C)c1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000026578735 561803675 /nfs/dbraw/zinc/80/36/75/561803675.db2.gz CGPFHYHESLZOHL-CONSDPRKSA-N 1 0 624.871 3.749 1 0 KHAFRO [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCCn1ccnc1)C(=O)NCCC1CCCCC1 ZINC000026579536 561804800 /nfs/dbraw/zinc/80/48/00/561804800.db2.gz NPQSDCQNOGGFJZ-VMPREFPWSA-N 1 0 590.854 3.962 1 0 KHAFRO CCCCCN(CC(=O)N(CCc1ccc(O)cc1)CC(N)=O)C(=O)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000026579575 561804941 /nfs/dbraw/zinc/80/49/41/561804941.db2.gz PNHGSFHOUGAQKP-UHFFFAOYSA-N 1 0 558.723 3.689 1 0 KHAFRO COc1ccc(CN(CC(=O)N(CCc2ccc(O)cc2)CC(N)=O)C(=O)C[NH2+]CC(c2ccccc2)c2ccccc2)cc1OC ZINC000026639551 561806303 /nfs/dbraw/zinc/80/63/03/561806303.db2.gz JRHATSONZNINFA-UHFFFAOYSA-N 1 0 638.765 3.716 1 0 KHAFRO C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2Cl)cc1 ZINC000026642632 561806982 /nfs/dbraw/zinc/80/69/82/561806982.db2.gz DTSGYNONXTZGNW-MHZHKKNFSA-N 1 0 631.262 3.840 1 0 KHAFRO C[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2Cl)cc1 ZINC000026642639 561807013 /nfs/dbraw/zinc/80/70/13/561807013.db2.gz DTSGYNONXTZGNW-GHPJVDHGSA-N 1 0 631.262 3.840 1 0 KHAFRO NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)C[NH2+]CCc1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000026646643 561807472 /nfs/dbraw/zinc/80/74/72/561807472.db2.gz RTHUGEODSXOLOK-UHFFFAOYSA-N 1 0 580.685 3.906 1 0 KHAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3CC(c4ccccc4)C3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026649254 561808117 /nfs/dbraw/zinc/80/81/17/561808117.db2.gz CZFIMHWLICRIED-AAYATXMLSA-N 1 0 682.928 3.744 1 0 KHAFRO C[C@@H](O)CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026651651 561808422 /nfs/dbraw/zinc/80/84/22/561808422.db2.gz ALWHBLUIPLMASO-JIPXPUAJSA-N 1 0 567.694 3.637 1 0 KHAFRO Cc1ccc(C(=O)O[C@H](C(=O)N2CSC(C)(C)[C@H]2C(=O)NC(C)(C)C)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000026652071 561808580 /nfs/dbraw/zinc/80/85/80/561808580.db2.gz YVVGSRDVYIGRTD-RJGXRXQPSA-N 1 0 511.688 3.685 1 0 KHAFRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000026653936 561808868 /nfs/dbraw/zinc/80/88/68/561808868.db2.gz ADYQFEKYBQAYOX-WUFINQPMSA-N 1 0 631.778 3.724 1 0 KHAFRO CCOC(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 ZINC000026654588 561808995 /nfs/dbraw/zinc/80/89/95/561808995.db2.gz NTCWUAKONBWTBB-UHFFFAOYSA-N 1 0 572.680 3.781 1 0 KHAFRO C[C@H](O)CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026655060 561809206 /nfs/dbraw/zinc/80/92/06/561809206.db2.gz ALWHBLUIPLMASO-KDYSTLNUSA-N 1 0 567.694 3.637 1 0 KHAFRO CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](OC(=O)OCc2ccccc2)[C@@H]([NH3+])Cc2ccccc2)CSC1(C)C ZINC000026655180 561809151 /nfs/dbraw/zinc/80/91/51/561809151.db2.gz JEJIIDLYMNPFOU-RJGXRXQPSA-N 1 0 527.687 3.873 1 0 KHAFRO Cc1cccc(C)c1OCC(=O)O[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C)[C@@H]([NH3+])Cc1ccccc1 ZINC000026655641 561809383 /nfs/dbraw/zinc/80/93/83/561809383.db2.gz YBEYIZQINQQMMN-UCGXPXSYSA-N 1 0 555.741 3.759 1 0 KHAFRO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc([S@@](=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 ZINC000026657532 561809679 /nfs/dbraw/zinc/80/96/79/561809679.db2.gz CHGYWCVJJWCPFO-KDXMTYKHSA-N 1 0 590.764 3.698 1 0 KHAFRO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc([S@](=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 ZINC000026657539 561809691 /nfs/dbraw/zinc/80/96/91/561809691.db2.gz CHGYWCVJJWCPFO-LDLOPFEMSA-N 1 0 590.764 3.698 1 0 KHAFRO CCCCOC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026659099 561810028 /nfs/dbraw/zinc/81/00/28/561810028.db2.gz WXUZEMMPZJCAKV-MUUNZHRXSA-N 1 0 549.653 3.604 1 0 KHAFRO CCCCOC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026659105 561810061 /nfs/dbraw/zinc/81/00/61/561810061.db2.gz WXUZEMMPZJCAKV-NDEPHWFRSA-N 1 0 549.653 3.604 1 0 KHAFRO Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)CC2)cc1 ZINC000026660041 561810138 /nfs/dbraw/zinc/81/01/38/561810138.db2.gz MSSGUYXBJOSIRG-URLMMPGGSA-N 1 0 618.779 3.511 1 0 KHAFRO COc1ccc(S(=O)(=O)Nc2cc(Br)cc(F)c2Br)cc1N1CC[NH2+]CC1 ZINC000026665704 561811139 /nfs/dbraw/zinc/81/11/39/561811139.db2.gz BLWHAZZXRHTFJE-UHFFFAOYSA-N 1 0 523.222 3.570 1 0 in-vivo KHAFRO CCC[C@H](NC(=O)[C@@H](CC(=O)N1CCC([NH3+])CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000026670836 561812278 /nfs/dbraw/zinc/81/22/78/561812278.db2.gz YHLOJFFKNNXDIO-DIIQFSBDSA-N 1 0 663.904 3.675 1 0 KHAFRO [NH3+]C1CCN(C(=O)C[C@@H](Cc2cccc3ccccc32)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1 ZINC000026675157 561813774 /nfs/dbraw/zinc/81/37/74/561813774.db2.gz BEJMWNCMHLRCBU-KHXYGZCGSA-N 1 0 751.973 3.994 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)c1ccc(C[NH2+]C)cc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCCc1ccccc1 ZINC000026675420 561813923 /nfs/dbraw/zinc/81/39/23/561813923.db2.gz POMPAVNXKGHLHK-ZQLNIIGMSA-N 1 0 552.760 3.581 1 0 KHAFRO COc1ccccc1OCC[N@H+](CCC(=O)N1CCCSc2c1cnn(C)c2=O)Cc1ccccc1 ZINC000026717065 561814359 /nfs/dbraw/zinc/81/43/59/561814359.db2.gz NKCIOGYKRVQDGA-UHFFFAOYSA-N 1 0 508.644 3.589 1 0 KHAFRO CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000026718717 561814769 /nfs/dbraw/zinc/81/47/69/561814769.db2.gz INSYLCWVXCHWON-JCNMCLKOSA-N 1 0 596.813 3.941 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000026718722 561814827 /nfs/dbraw/zinc/81/48/27/561814827.db2.gz INSYLCWVXCHWON-WCSHJNDUSA-N 1 0 596.813 3.941 1 0 KHAFRO CC[NH+](CC)C[C@@H](O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000026720853 561815215 /nfs/dbraw/zinc/81/52/15/561815215.db2.gz HEQCBNOTEVVFJE-LIRVCHIBSA-N 1 0 640.866 3.692 1 0 KHAFRO CC[NH+](CC)C[C@H](O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000026720861 561815180 /nfs/dbraw/zinc/81/51/80/561815180.db2.gz HEQCBNOTEVVFJE-KQLGDFJMSA-N 1 0 640.866 3.692 1 0 KHAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(CN4CC[NH2+][C@@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026723468 561815540 /nfs/dbraw/zinc/81/55/40/561815540.db2.gz UPDCHCAKGDBYFE-QGKIFYGHSA-N 1 0 631.726 4.000 1 0 KHAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(CN4CC[NH2+][C@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026723473 561815547 /nfs/dbraw/zinc/81/55/47/561815547.db2.gz UPDCHCAKGDBYFE-ZLAJZPBBSA-N 1 0 631.726 4.000 1 0 KHAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(CN4CC[NH2+]C[C@@H]4c4ccccc4)cc(=O)oc3c2C)OC1(C)C ZINC000026723990 561815722 /nfs/dbraw/zinc/81/57/22/561815722.db2.gz ULENHMNJZZZGJE-QGKIFYGHSA-N 1 0 631.726 4.000 1 0 KHAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(CN4CC[NH2+]C[C@H]4c4ccccc4)cc(=O)oc3c2C)OC1(C)C ZINC000026723999 561815655 /nfs/dbraw/zinc/81/56/55/561815655.db2.gz ULENHMNJZZZGJE-ZLAJZPBBSA-N 1 0 631.726 4.000 1 0 KHAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCCN4CC[NH2+][C@@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026727513 561816131 /nfs/dbraw/zinc/81/61/31/561816131.db2.gz UHPCIDVYABYVTQ-AFHPYJQDSA-N 1 0 661.752 3.878 1 0 KHAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCCN4CC[NH2+][C@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026727521 561816140 /nfs/dbraw/zinc/81/61/40/561816140.db2.gz UHPCIDVYABYVTQ-LPGLEXDGSA-N 1 0 661.752 3.878 1 0 KHAFRO O=Cc1cc2ccc(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@H+]5CC4CC4)[C@H]3O7)cc2cc1C=O ZINC000026732269 561816732 /nfs/dbraw/zinc/81/67/32/561816732.db2.gz AXHDHZZPAIQXPS-ZLTFECBESA-N 1 0 552.627 3.533 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc(F)cc1)NS(C)(=O)=O ZINC000026733352 561816973 /nfs/dbraw/zinc/81/69/73/561816973.db2.gz SLKMGYJMZOWGPU-NUHKNMDZSA-N 1 0 676.921 3.719 1 0 KHAFRO Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026735074 561817299 /nfs/dbraw/zinc/81/72/99/561817299.db2.gz UOYZVCHWBOUTTL-JBGOKIPCSA-N 1 0 539.742 3.513 1 0 KHAFRO NC(=[NH2+])c1cccc(C(=O)N[C@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C2CCCCC2)c1 ZINC000026742977 561818424 /nfs/dbraw/zinc/81/84/24/561818424.db2.gz SLNVOVYKLZGGET-VWLOTQADSA-N 1 0 533.654 3.602 1 0 KHAFRO NC(=[NH2+])c1cccc(C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026743125 561818380 /nfs/dbraw/zinc/81/83/80/561818380.db2.gz DTWSBQRVSPGMCV-MHZLTWQESA-N 1 0 613.696 3.546 1 0 KHAFRO COc1ccc(C[N@H+](CCOc2ccc(NS(C)(=O)=O)cc2)CCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000026745908 561818907 /nfs/dbraw/zinc/81/89/07/561818907.db2.gz KHRJMDKBZLDCBK-UHFFFAOYSA-N 1 0 547.699 3.562 1 0 KHAFRO NC(=[NH2+])c1cccc(C(=O)N[C@@H](CCC(=O)OC2CCCCC2)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026748912 561819379 /nfs/dbraw/zinc/81/93/79/561819379.db2.gz WNIBZUXGBCCRGR-SANMLTNESA-N 1 0 605.717 3.678 1 0 KHAFRO O=C(NCCCc1cccs1)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1 ZINC000026749009 561819404 /nfs/dbraw/zinc/81/94/04/561819404.db2.gz KSQKGGSXLVVQJS-VWLOTQADSA-N 1 0 602.779 3.638 1 0 KHAFRO O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)c(F)c3)CC2)cc1 ZINC000026749104 561819392 /nfs/dbraw/zinc/81/93/92/561819392.db2.gz ULLYVPVNUHRUEE-QHCPKHFHSA-N 1 0 622.666 3.561 1 0 KHAFRO C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Br)c1cccc(C(=[NH2+])NN)c1 ZINC000026819799 561820850 /nfs/dbraw/zinc/82/08/50/561820850.db2.gz LBBKGELPCCMYFB-FYJGNVAPSA-N 1 0 546.422 3.891 1 0 KHAFRO CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026830404 561822844 /nfs/dbraw/zinc/82/28/44/561822844.db2.gz SPXIIOHYLLRGHC-AREMUKBSSA-N 1 0 523.641 3.968 1 0 KHAFRO O=C(NCc1ccccc1F)N1CCC(Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)CC1 ZINC000026833145 561823434 /nfs/dbraw/zinc/82/34/34/561823434.db2.gz MDBBJZJBBPQWBV-MHZLTWQESA-N 1 0 536.648 3.889 1 0 KHAFRO CCOC(=O)[C@@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000026836820 561824656 /nfs/dbraw/zinc/82/46/56/561824656.db2.gz RVHCWJKGYFEJNB-KSVMHDQPSA-N 1 0 674.839 3.888 1 0 KHAFRO NC(=[NH2+])N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)CC1)C1CCCCC1 ZINC000026836935 561824703 /nfs/dbraw/zinc/82/47/03/561824703.db2.gz CQMUVOSIRQJWAF-HSZRJFAPSA-N 1 0 534.492 3.638 1 0 KHAFRO O=C(NC1CCCCC1)N1CCC(Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)CC1 ZINC000026837362 561824774 /nfs/dbraw/zinc/82/47/74/561824774.db2.gz AGOJNUPIGRPSJZ-MHZLTWQESA-N 1 0 510.679 3.883 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000026839660 561825446 /nfs/dbraw/zinc/82/54/46/561825446.db2.gz ORGILUVOCUNYPF-JGCGQSQUSA-N 1 0 655.802 3.700 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000026839664 561825433 /nfs/dbraw/zinc/82/54/33/561825433.db2.gz ORGILUVOCUNYPF-YTTGMZPUSA-N 1 0 655.802 3.700 1 0 KHAFRO CNC(=O)Nc1ccccc1-c1ccc2c(c1)CCN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)C(C)(C)[NH3+])C2 ZINC000026839722 561825478 /nfs/dbraw/zinc/82/54/78/561825478.db2.gz VQMHQVOOOIVYBY-MUUNZHRXSA-N 1 0 552.679 3.936 1 0 KHAFRO CC(C)OC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1 ZINC000026844167 561826225 /nfs/dbraw/zinc/82/62/25/561826225.db2.gz COMFPTYQUZLWHS-UHFFFAOYSA-N 1 0 508.644 3.676 1 0 KHAFRO NC(=[NH2+])N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1)C1CCCCC1 ZINC000026844612 561826292 /nfs/dbraw/zinc/82/62/92/561826292.db2.gz CRBHPAAKAZMYPT-HSZRJFAPSA-N 1 0 534.492 3.638 1 0 KHAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000026934992 561827411 /nfs/dbraw/zinc/82/74/11/561827411.db2.gz XQKLEMKEDSNHMG-NDEPHWFRSA-N 1 0 583.799 3.921 1 0 KHAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000026934996 561827409 /nfs/dbraw/zinc/82/74/09/561827409.db2.gz XQKLEMKEDSNHMG-MUUNZHRXSA-N 1 0 583.799 3.921 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026935394 561827394 /nfs/dbraw/zinc/82/73/94/561827394.db2.gz OALGBSYWOIFNGM-WBNMOLNCSA-N 1 0 532.814 3.938 1 0 KHAFRO COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])CCc3ccccc3)cc2)cc(OC)c1OC ZINC000026937379 561827603 /nfs/dbraw/zinc/82/76/03/561827603.db2.gz FLYMRXATNUIQFF-NQTJHPBVSA-N 1 0 519.598 3.624 1 0 KHAFRO COc1cc(NC(=O)[C@@H](O)[C@H]([NH3+])CC2CCCCC2)ccc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000026939106 561827919 /nfs/dbraw/zinc/82/79/19/561827919.db2.gz FNHPBOZFIYSQSQ-PZWZVMLOSA-N 1 0 541.645 3.970 1 0 KHAFRO COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])CC3CCCCC3)cc2)cc(OC)c1OC ZINC000026939211 561827981 /nfs/dbraw/zinc/82/79/81/561827981.db2.gz DZCLXCJXXAQLFM-PEDYAIFJSA-N 1 0 511.619 3.961 1 0 KHAFRO COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])CCc3ccccc3)c(C)c2)cc(OC)c1OC ZINC000026941283 561828109 /nfs/dbraw/zinc/82/81/09/561828109.db2.gz MMXWRCTYQIIKSU-FBXTVPTJSA-N 1 0 533.625 3.932 1 0 KHAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC000026944000 561828329 /nfs/dbraw/zinc/82/83/29/561828329.db2.gz CSDKIQLGRKMQTG-SLGZMBILSA-N 1 0 696.849 3.725 1 0 KHAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC000026944009 561828334 /nfs/dbraw/zinc/82/83/34/561828334.db2.gz CSDKIQLGRKMQTG-DSPMFFIESA-N 1 0 696.849 3.725 1 0 KHAFRO COc1cc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)[C@@H](O)[C@H]([NH3+])CCc1ccccc1 ZINC000026951000 561828803 /nfs/dbraw/zinc/82/88/03/561828803.db2.gz WKDYROULGDBLAP-LMBQLDIMSA-N 1 0 549.624 3.632 1 0 KHAFRO O=C(NCCC[NH2+]CCCNC(=O)c1cc(Br)c(Br)[nH]1)c1cc(Br)c(Br)[nH]1 ZINC000026958241 561829376 /nfs/dbraw/zinc/82/93/76/561829376.db2.gz JKRIHCKSJOMCRV-UHFFFAOYSA-N 1 0 632.977 3.922 1 0 KHAFRO CCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)[C@@H](CCc1ccccc1)NC(=O)C(C)(C)[NH3+] ZINC000026965162 561829913 /nfs/dbraw/zinc/82/99/13/561829913.db2.gz BNWSVSYRKAGEAQ-AREMUKBSSA-N 1 0 525.657 3.737 1 0 KHAFRO CN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)[C@@H](CCc1ccccc1)NC(=O)CC(C)(C)[NH3+] ZINC000026979563 561831138 /nfs/dbraw/zinc/83/11/38/561831138.db2.gz ZQGCBCZYBLOLHU-AREMUKBSSA-N 1 0 525.657 3.737 1 0 KHAFRO CCC[N@H+](CCCN1C(=O)CCC1=O)C[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026984580 561831738 /nfs/dbraw/zinc/83/17/38/561831738.db2.gz MFSOFOHOEBBNMC-QHCPKHFHSA-N 1 0 575.714 3.601 1 0 KHAFRO CCC[N@H+](CCCN1C(=O)CCC1=O)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026984588 561831725 /nfs/dbraw/zinc/83/17/25/561831725.db2.gz MFSOFOHOEBBNMC-HSZRJFAPSA-N 1 0 575.714 3.601 1 0 KHAFRO CC(C)c1cc(N2CC[NH+](C)CC2)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000026997139 561833393 /nfs/dbraw/zinc/83/33/93/561833393.db2.gz ASHIQHBFXYKICH-UHFFFAOYSA-N 1 0 526.442 3.828 1 0 KHAFRO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccncc1)C[C@H](O)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000027072791 561833762 /nfs/dbraw/zinc/83/37/62/561833762.db2.gz KQOVSEYTSQWNCB-CEWIDEQNSA-N 1 0 730.184 3.867 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027075567 561834057 /nfs/dbraw/zinc/83/40/57/561834057.db2.gz KEZWGZKGBARAAS-CSPLBRPISA-N 1 0 648.248 3.520 1 0 KHAFRO CC(C)C[C@H](NC(=O)N1CC[NH2+]CC1)C(=O)N[C@H](C/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 ZINC000027075603 561834112 /nfs/dbraw/zinc/83/41/12/561834112.db2.gz SVCBEQLNZFRGOI-FOARGQBGSA-N 1 0 540.730 3.511 1 0 KHAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2Cl)cc1 ZINC000027097223 561838085 /nfs/dbraw/zinc/83/80/85/561838085.db2.gz XRHAFQYWBBFUSR-ZCYQVOJMSA-N 1 0 534.034 3.603 1 0 KHAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncccn1 ZINC000027102210 561838958 /nfs/dbraw/zinc/83/89/58/561838958.db2.gz LWOMUKMVKQHDJB-KRCBVYEFSA-N 1 0 686.945 3.794 1 0 KHAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)Cc2ccc(cc2)OCCCCCNC1=O ZINC000027102315 561839065 /nfs/dbraw/zinc/83/90/65/561839065.db2.gz ZXUOAWXMXWTRGE-LOOJBMBPSA-N 1 0 698.905 3.782 1 0 KHAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)Cc2ccc(cc2)OCCCCCNC1=O ZINC000027102321 561839119 /nfs/dbraw/zinc/83/91/19/561839119.db2.gz ZXUOAWXMXWTRGE-ZKQACQBYSA-N 1 0 698.905 3.782 1 0 in-vitro KHAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000027103092 561839295 /nfs/dbraw/zinc/83/92/95/561839295.db2.gz UFUYZTGWKUYHTK-ZCYQVOJMSA-N 1 0 534.034 3.603 1 0 KHAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000027103574 561839472 /nfs/dbraw/zinc/83/94/72/561839472.db2.gz LXPPHQOFVPTESH-ZCYQVOJMSA-N 1 0 552.024 3.742 1 0 KHAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000027103577 561839408 /nfs/dbraw/zinc/83/94/08/561839408.db2.gz IORRZTLEVRVCPK-ZCYQVOJMSA-N 1 0 534.034 3.603 1 0 KHAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Br)c2)cc1 ZINC000027104442 561839582 /nfs/dbraw/zinc/83/95/82/561839582.db2.gz WJPBDBZUIQSPFO-ZCYQVOJMSA-N 1 0 578.485 3.712 1 0 KHAFRO C[C@@]([NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000027105219 561839890 /nfs/dbraw/zinc/83/98/90/561839890.db2.gz GDWPCPOKFLSGDZ-UPVQGACJSA-N 1 0 548.459 3.703 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000027107082 561840474 /nfs/dbraw/zinc/84/04/74/561840474.db2.gz ZKUFUBSWAQIBLU-BKHJTQGXSA-N 1 0 550.659 3.772 1 0 KHAFRO COC(=O)COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000027107671 561840596 /nfs/dbraw/zinc/84/05/96/561840596.db2.gz DIFNRVFIVBFMQU-KNJNRNFYSA-N 1 0 577.077 3.862 1 0 KHAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3sc(C)nc3c2)cc1 ZINC000027108343 561840689 /nfs/dbraw/zinc/84/06/89/561840689.db2.gz IUECFYADEPVREP-IGKIAQTJSA-N 1 0 570.693 3.868 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1 ZINC000027108498 561840805 /nfs/dbraw/zinc/84/08/05/561840805.db2.gz CUNFNKILUOEXBI-ASVWTAOFSA-N 1 0 579.701 3.784 1 0 KHAFRO COc1ccc2ccc(S(=O)(=O)N(Cc3ccccn3)[C@H]3CCN(Cc4cccc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000027108629 561840851 /nfs/dbraw/zinc/84/08/51/561840851.db2.gz XGFMLZFAPRIIRL-MHZLTWQESA-N 1 0 543.649 3.519 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc21 ZINC000027110019 561841399 /nfs/dbraw/zinc/84/13/99/561841399.db2.gz ILQSLTUQSMPDTH-NAYUSWPISA-N 1 0 579.701 3.784 1 0 KHAFRO CCOC(=O)CN(C)c1c(F)c(Oc2cccc(C3=[NH+]CCN3C)c2)nc(Oc2cc(C(N)=[NH2+])ccc2[O-])c1F ZINC000027110080 561841430 /nfs/dbraw/zinc/84/14/30/561841430.db2.gz IPHOQSDIURNFBI-UHFFFAOYSA-N 1 0 554.554 3.625 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc21 ZINC000027187707 561842953 /nfs/dbraw/zinc/84/29/53/561842953.db2.gz ZBVYRMZLONJXKM-BKHJTQGXSA-N 1 0 579.701 3.784 1 0 KHAFRO COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)Cc1cc(OCCCN2CC[NH+](C)CC2)ccc1-3 ZINC000027188118 561843054 /nfs/dbraw/zinc/84/30/54/561843054.db2.gz YIWQQSQZJSTUCY-UHFFFAOYSA-N 1 0 516.642 3.749 1 0 KHAFRO COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)CCc1cc(OCCCN2CC[NH+](C)CC2)ccc1-3 ZINC000027188394 561843029 /nfs/dbraw/zinc/84/30/29/561843029.db2.gz KKQMJDXVUJFDMV-UHFFFAOYSA-N 1 0 530.669 3.943 1 0 KHAFRO CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1cccc2ccccc21)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027201055 561845175 /nfs/dbraw/zinc/84/51/75/561845175.db2.gz IFYWPHLAIJGALZ-YJBBJLKTSA-N 1 0 528.697 3.709 1 0 KHAFRO CNC(=O)[C@@H](Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027202738 561845509 /nfs/dbraw/zinc/84/55/09/561845509.db2.gz BQAUKCBBJQOXNR-ODNGPVGPSA-N 1 0 564.677 3.987 1 0 KHAFRO C[C@H](O)CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027206225 561845966 /nfs/dbraw/zinc/84/59/66/561845966.db2.gz ZESPOUYGJAIUGX-WBJDZRKNSA-N 1 0 578.779 3.521 1 0 KHAFRO Cc1cc(N)[nH+]c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1 ZINC000027207218 561846121 /nfs/dbraw/zinc/84/61/21/561846121.db2.gz UWOLGNVHETVCHA-FTJBHMTQSA-N 1 0 618.587 3.926 1 0 KHAFRO C[C@H](O)CNC(=O)[C@@H](Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027207483 561846194 /nfs/dbraw/zinc/84/61/94/561846194.db2.gz OISOQYNHVYYIEA-IPMDKBSNSA-N 1 0 608.730 3.738 1 0 KHAFRO CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+])C(=O)NCCC1CCCCC1 ZINC000027212634 561847537 /nfs/dbraw/zinc/84/75/37/561847537.db2.gz WBMJGEROPIFDBI-DQEYMECFSA-N 1 0 510.764 3.695 1 0 KHAFRO CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)N2CC[NH+](CC3CC3)CC2)Cc2ccc(Cl)cc2)CC1 ZINC000027214595 561848011 /nfs/dbraw/zinc/84/80/11/561848011.db2.gz OFBXWMQCGBOGHJ-LJAQVGFWSA-N 1 0 656.293 3.968 1 0 KHAFRO CCC[NH+]1CCN(C(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3N(CC3CC3)S(C)(=O)=O)CC2)CC1 ZINC000027216927 561848630 /nfs/dbraw/zinc/84/86/30/561848630.db2.gz XYLTVWHSEAYDPG-NDEPHWFRSA-N 1 0 644.282 3.968 1 0 KHAFRO Cc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)C(=O)NC[C@@H]3CCCN(C(N)=[NH2+])C3)cc2)cc1 ZINC000027304343 561849396 /nfs/dbraw/zinc/84/93/96/561849396.db2.gz ZROORJUSMMTWTA-VVFBEHOQSA-N 1 0 662.838 3.560 1 0 KHAFRO Cc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)C(=O)NC[C@H]3CCCN(C(N)=[NH2+])C3)cc2)cc1 ZINC000027304348 561849389 /nfs/dbraw/zinc/84/93/89/561849389.db2.gz ZROORJUSMMTWTA-OOWIMERYSA-N 1 0 662.838 3.560 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000027305141 561849531 /nfs/dbraw/zinc/84/95/31/561849531.db2.gz OHOBCVDKDAMDNY-UHFFFAOYSA-N 1 0 623.718 3.689 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCCC1 ZINC000027305420 561849538 /nfs/dbraw/zinc/84/95/38/561849538.db2.gz RINJMYOXTKQGTE-UHFFFAOYSA-N 1 0 635.729 3.833 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(OC(F)F)cc4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027307647 561849873 /nfs/dbraw/zinc/84/98/73/561849873.db2.gz RKSOOELWAQYFJW-UHFFFAOYSA-N 1 0 623.661 3.537 1 0 KHAFRO COC1CC[NH+](CCNC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc6ccccc6cn5)cn4C)cn3C)cn2C)CC1 ZINC000027308621 561850203 /nfs/dbraw/zinc/85/02/03/561850203.db2.gz BNOJTSQWIQQSFJ-UHFFFAOYSA-N 1 0 679.782 3.848 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCSCC1 ZINC000027308768 561850168 /nfs/dbraw/zinc/85/01/68/561850168.db2.gz NIOVASIMUWEVKW-UHFFFAOYSA-N 1 0 657.222 3.953 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027309283 561850380 /nfs/dbraw/zinc/85/03/80/561850380.db2.gz SBDICZBANQFXSD-UHFFFAOYSA-N 1 0 598.129 3.651 1 0 KHAFRO COc1cc2c(cc1OCCCOc1ccc3c(c1)N=C[C@@H]1CCCN1C3=O)N=C[C@@H]1CC[NH2+][C@H]1C2=O ZINC000027310078 561850500 /nfs/dbraw/zinc/85/05/00/561850500.db2.gz NQLRKKYEAIYVMB-QSAFDGGLSA-N 1 0 502.571 3.740 1 0 KHAFRO COc1cc2c(cc1OCCCOc1ccc3c(c1)N=C[C@@H]1CCCN1C3=O)N=C[C@@H]1CC[NH2+][C@@H]1C2=O ZINC000027310083 561850523 /nfs/dbraw/zinc/85/05/23/561850523.db2.gz NQLRKKYEAIYVMB-XWXLMPLOSA-N 1 0 502.571 3.740 1 0 KHAFRO Cn1c2ncn(CCCC[NH+]3CCN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000027310767 561850586 /nfs/dbraw/zinc/85/05/86/561850586.db2.gz OMAHXNPASZYVEE-UHFFFAOYSA-N 1 0 555.510 3.928 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCCC1 ZINC000027312311 561850890 /nfs/dbraw/zinc/85/08/90/561850890.db2.gz AVAUCZYEDLYXKK-UHFFFAOYSA-N 1 0 625.155 4.000 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000027312633 561850941 /nfs/dbraw/zinc/85/09/41/561850941.db2.gz CMOOUXMCHLQSCO-UHFFFAOYSA-N 1 0 613.144 3.855 1 0 KHAFRO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027317260 561851905 /nfs/dbraw/zinc/85/19/05/561851905.db2.gz RYNJJMSPSSJBGF-ZTFZWQTPSA-N 1 0 515.764 3.981 1 0 KHAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000027318974 561852312 /nfs/dbraw/zinc/85/23/12/561852312.db2.gz YRLWZMGUEMTKLT-XQHNTHMKSA-N 1 0 539.786 3.949 1 0 KHAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000027318980 561852304 /nfs/dbraw/zinc/85/23/04/561852304.db2.gz YRLWZMGUEMTKLT-UVQYOKHOSA-N 1 0 539.786 3.949 1 0 KHAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000027318986 561852291 /nfs/dbraw/zinc/85/22/91/561852291.db2.gz RRGFYPFFXNYKFX-PWQCSUHBSA-N 1 0 554.801 3.885 1 0 KHAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N[C@H]1C[NH+]3CCC1CC3)C2 ZINC000027318992 561852317 /nfs/dbraw/zinc/85/23/17/561852317.db2.gz RRGFYPFFXNYKFX-FMBZFGSYSA-N 1 0 554.801 3.885 1 0 KHAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C2 ZINC000027319490 561852336 /nfs/dbraw/zinc/85/23/36/561852336.db2.gz QPNPJZRZOJMXQZ-VGRXRAONSA-N 1 0 527.775 3.997 1 0 KHAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C2 ZINC000027319496 561852332 /nfs/dbraw/zinc/85/23/32/561852332.db2.gz QPNPJZRZOJMXQZ-CULBQNCQSA-N 1 0 527.775 3.997 1 0 KHAFRO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027322491 561852877 /nfs/dbraw/zinc/85/28/77/561852877.db2.gz SVKPBYXXDKQCLJ-ZYPUAGOQSA-N 1 0 501.737 3.591 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)C[C@H]2OCCN(N(CCCc3ccccc3)CCCc3ccccc3)C2=O)cc1 ZINC000027324748 561853245 /nfs/dbraw/zinc/85/32/45/561853245.db2.gz MKNCTRDKKZVRGS-GDLZYMKVSA-N 1 0 541.696 3.687 1 0 KHAFRO CSC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000027331690 561855169 /nfs/dbraw/zinc/85/51/69/561855169.db2.gz MATDMESVLVWDAX-KJHMZRPRSA-N 1 0 619.832 3.554 1 0 KHAFRO CSC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000027331694 561855156 /nfs/dbraw/zinc/85/51/56/561855156.db2.gz MATDMESVLVWDAX-ZXYZSCNASA-N 1 0 619.832 3.554 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000027407615 561855766 /nfs/dbraw/zinc/85/57/66/561855766.db2.gz GOPOKSYQSCTBIU-MADAIRJKSA-N 1 0 718.896 3.918 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000027407620 561855725 /nfs/dbraw/zinc/85/57/25/561855725.db2.gz GOPOKSYQSCTBIU-ZMNCCQAHSA-N 1 0 718.896 3.918 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000027407625 561855720 /nfs/dbraw/zinc/85/57/20/561855720.db2.gz GOPOKSYQSCTBIU-DVSRQCRASA-N 1 0 718.896 3.918 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000027407629 561855712 /nfs/dbraw/zinc/85/57/12/561855712.db2.gz GOPOKSYQSCTBIU-GOQTXQTGSA-N 1 0 718.896 3.918 1 0 KHAFRO CC(C)C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)CC1 ZINC000027407706 561855889 /nfs/dbraw/zinc/85/58/89/561855889.db2.gz VZSXZFYCTCSIIL-PUUVEUEGSA-N 1 0 583.774 3.606 1 0 KHAFRO CC(C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)CC1 ZINC000027407711 561855866 /nfs/dbraw/zinc/85/58/66/561855866.db2.gz VZSXZFYCTCSIIL-NJTBCWBZSA-N 1 0 583.774 3.606 1 0 KHAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027408450 561855957 /nfs/dbraw/zinc/85/59/57/561855957.db2.gz GUBUZCSPGKGTHR-QBRBUHMNSA-N 1 0 675.827 3.922 1 0 KHAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027408457 561856055 /nfs/dbraw/zinc/85/60/55/561856055.db2.gz GUBUZCSPGKGTHR-ZARSYAGCSA-N 1 0 675.827 3.922 1 0 KHAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027408463 561856027 /nfs/dbraw/zinc/85/60/27/561856027.db2.gz GUBUZCSPGKGTHR-BJCVNHSRSA-N 1 0 675.827 3.922 1 0 KHAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027408468 561856068 /nfs/dbraw/zinc/85/60/68/561856068.db2.gz GUBUZCSPGKGTHR-HODFZDIFSA-N 1 0 675.827 3.922 1 0 KHAFRO 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/nfs/dbraw/zinc/86/63/32/561866332.db2.gz RUSCEAPEVNUTMN-RUZDIDTESA-N 1 0 584.620 3.785 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1F ZINC000027526523 561866252 /nfs/dbraw/zinc/86/62/52/561866252.db2.gz RUSCEAPEVNUTMN-VWLOTQADSA-N 1 0 584.620 3.785 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000027526642 561866407 /nfs/dbraw/zinc/86/64/07/561866407.db2.gz FOMUZVDWSAHVBW-SANMLTNESA-N 1 0 571.625 3.799 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000027526644 561866436 /nfs/dbraw/zinc/86/64/36/561866436.db2.gz FOMUZVDWSAHVBW-AREMUKBSSA-N 1 0 571.625 3.799 1 0 KHAFRO COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)N(C(=O)N2CCC([NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 ZINC000027526929 561866418 /nfs/dbraw/zinc/86/64/18/561866418.db2.gz FQUQPNDGBZDOFM-MUUNZHRXSA-N 1 0 640.684 3.896 1 0 KHAFRO 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MWRJZYVRTRKJED-XMMPIXPASA-N 1 0 568.577 3.740 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)OC(=O)c2ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000027527076 561866517 /nfs/dbraw/zinc/86/65/17/561866517.db2.gz MWRJZYVRTRKJED-DEOSSOPVSA-N 1 0 568.577 3.740 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)c2ccccc2OC3=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000027527130 561866709 /nfs/dbraw/zinc/86/67/09/561866709.db2.gz XAFUDJXOIRWNFS-XMMPIXPASA-N 1 0 568.577 3.531 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)c2ccccc2OC3=O)[C@H]1c1ccc(F)c(F)c1 ZINC000027527131 561866715 /nfs/dbraw/zinc/86/67/15/561866715.db2.gz XAFUDJXOIRWNFS-DEOSSOPVSA-N 1 0 568.577 3.531 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)OC(=O)Cc2ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000027527135 561866703 /nfs/dbraw/zinc/86/67/03/561866703.db2.gz JWSQOVQOBFTBTR-AREMUKBSSA-N 1 0 582.604 3.668 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)OC(=O)Cc2ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000027527136 561866677 /nfs/dbraw/zinc/86/66/77/561866677.db2.gz JWSQOVQOBFTBTR-SANMLTNESA-N 1 0 582.604 3.668 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(C)cc1 ZINC000027546399 561866744 /nfs/dbraw/zinc/86/67/44/561866744.db2.gz WCGXKZZNDLNAMK-AREMUKBSSA-N 1 0 562.667 3.815 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(C)cc1 ZINC000027546404 561866771 /nfs/dbraw/zinc/86/67/71/561866771.db2.gz WCGXKZZNDLNAMK-SANMLTNESA-N 1 0 562.667 3.815 1 0 KHAFRO CCC1=C(C(N)=O)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCC[C@@H](C)[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000027547080 561866878 /nfs/dbraw/zinc/86/68/78/561866878.db2.gz PFFBXNUVJKJZBG-NIYFSFCBSA-N 1 0 597.663 3.876 1 0 KHAFRO CCC1=C(C(N)=O)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCC[C@@H](C)[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000027547084 561866951 /nfs/dbraw/zinc/86/69/51/561866951.db2.gz PFFBXNUVJKJZBG-BCHFMIIMSA-N 1 0 597.663 3.876 1 0 KHAFRO CCC1=C(C(N)=O)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCC[C@H](C)[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000027547088 561867107 /nfs/dbraw/zinc/86/71/07/561867107.db2.gz PFFBXNUVJKJZBG-AFMDSPMNSA-N 1 0 597.663 3.876 1 0 KHAFRO CCC1=C(C(N)=O)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCC[C@H](C)[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000027547092 561867112 /nfs/dbraw/zinc/86/71/12/561867112.db2.gz PFFBXNUVJKJZBG-SIBVEZHUSA-N 1 0 597.663 3.876 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)OCc3ccccc3)CC2)c1 ZINC000027547203 561867104 /nfs/dbraw/zinc/86/71/04/561867104.db2.gz JYRCIWGRWDHTID-PMERELPUSA-N 1 0 598.725 3.995 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000027547332 561867061 /nfs/dbraw/zinc/86/70/61/561867061.db2.gz ZTKGLXQJLVEPQY-PMERELPUSA-N 1 0 597.741 3.568 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1cccc(F)c1 ZINC000027547381 561867090 /nfs/dbraw/zinc/86/70/90/561867090.db2.gz RFEHYTXXQXNSOO-RUZDIDTESA-N 1 0 566.630 3.646 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1cccc(F)c1 ZINC000027547385 561867084 /nfs/dbraw/zinc/86/70/84/561867084.db2.gz RFEHYTXXQXNSOO-VWLOTQADSA-N 1 0 566.630 3.646 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000027547389 561867043 /nfs/dbraw/zinc/86/70/43/561867043.db2.gz QCNWWNZUDOKUHR-RUZDIDTESA-N 1 0 566.630 3.646 1 0 KHAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000027547392 561867093 /nfs/dbraw/zinc/86/70/93/561867093.db2.gz QCNWWNZUDOKUHR-VWLOTQADSA-N 1 0 566.630 3.646 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC000027547618 561867230 /nfs/dbraw/zinc/86/72/30/561867230.db2.gz HYVWZSOVPVUCPR-VMPREFPWSA-N 1 0 584.698 3.748 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@H](C(=O)OCc3ccccc3)C2)c1 ZINC000027548639 561867512 /nfs/dbraw/zinc/86/75/12/561867512.db2.gz WUHZDISXNUSPHK-JDXGNMNLSA-N 1 0 598.725 3.995 1 0 KHAFRO CC(C)[C@H](NC(=O)OCCCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000027550517 561867884 /nfs/dbraw/zinc/86/78/84/561867884.db2.gz ZYZCDKDXZBBJML-RHAMUZCRSA-N 1 0 730.951 3.570 1 0 KHAFRO CCC1=C(C(N)=O)[C@@H](c2ccc(F)cc2F)N(C(=O)N2CCC([NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 ZINC000027551884 561868136 /nfs/dbraw/zinc/86/81/36/561868136.db2.gz KKSBBZJXYCLTSE-HHHXNRCGSA-N 1 0 609.674 3.972 1 0 KHAFRO CCC1=C(C(N)=O)[C@H](c2ccc(F)cc2F)N(C(=O)N2CCC([NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 ZINC000027551888 561868215 /nfs/dbraw/zinc/86/82/15/561868215.db2.gz KKSBBZJXYCLTSE-MHZLTWQESA-N 1 0 609.674 3.972 1 0 KHAFRO CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000027553482 561868647 /nfs/dbraw/zinc/86/86/47/561868647.db2.gz PQCMYGIPHHYBHN-UHFFFAOYSA-N 1 0 590.681 3.852 1 0 KHAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]C1CCC(O)CC1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000027553558 561868786 /nfs/dbraw/zinc/86/87/86/561868786.db2.gz UNXRHISSNABGPW-ZKTKHCDPSA-N 1 0 743.946 3.745 1 0 KHAFRO COC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000027555175 561869323 /nfs/dbraw/zinc/86/93/23/561869323.db2.gz HGHAEFXYQVJDKM-VSGBNLITSA-N 1 0 559.711 3.555 1 0 KHAFRO COC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)OC(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000027555636 561869448 /nfs/dbraw/zinc/86/94/48/561869448.db2.gz RLJAGKCCDNSYPX-VSGBNLITSA-N 1 0 560.695 3.982 1 0 KHAFRO CC(=O)NC1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027563464 561871350 /nfs/dbraw/zinc/87/13/50/561871350.db2.gz OPIVNHLWYYGXFZ-MHZLTWQESA-N 1 0 521.533 3.938 1 0 KHAFRO COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(C[NH3+])c1 ZINC000027564127 561871706 /nfs/dbraw/zinc/87/17/06/561871706.db2.gz CDQDSUSZBIFPBX-UHFFFAOYSA-N 1 0 545.543 3.925 1 0 KHAFRO Cn1cc(C[N@@H+]2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)[C@H](C(=O)NC(C)(C)C)C2)c2ccccc21 ZINC000027617057 561871994 /nfs/dbraw/zinc/87/19/94/561871994.db2.gz WPECFSSKCMFDKA-PJKOTPFHSA-N 1 0 665.879 3.964 1 0 KHAFRO COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H]([NH3+])CCSC)CC2 ZINC000027617900 561872115 /nfs/dbraw/zinc/87/21/15/561872115.db2.gz RKKVAHMFNZZSRL-MSOLQXFVSA-N 1 0 504.674 3.645 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000027637958 561874812 /nfs/dbraw/zinc/87/48/12/561874812.db2.gz BSHPERRUISLIDL-WMEMMNBJSA-N 1 0 511.626 3.586 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000027639512 561875127 /nfs/dbraw/zinc/87/51/27/561875127.db2.gz BSHPERRUISLIDL-SZJUTTIESA-N 1 0 511.626 3.586 1 0 KHAFRO CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cccc(-c4cccc(C(N)=[NH2+])c4)c3)S(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC000027640359 561875312 /nfs/dbraw/zinc/87/53/12/561875312.db2.gz GTNDJRULFMZIBE-UHFFFAOYSA-N 1 0 563.680 3.899 1 0 KHAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Br)n(-c2cccc(C(N)=[NH2+])c2)n1 ZINC000027640703 561875302 /nfs/dbraw/zinc/87/53/02/561875302.db2.gz DDTIONHAAAHZPD-UHFFFAOYSA-N 1 0 553.442 3.794 1 0 KHAFRO CS(=O)(=O)N(Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000027645545 561875776 /nfs/dbraw/zinc/87/57/76/561875776.db2.gz YYJDBBSPODMLHE-UHFFFAOYSA-N 1 0 534.663 3.918 1 0 KHAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1 ZINC000027646799 561875894 /nfs/dbraw/zinc/87/58/94/561875894.db2.gz PGUPEOWWTCYVPK-UHFFFAOYSA-N 1 0 546.506 3.881 1 0 KHAFRO Cc1ncc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(CO)c1O ZINC000027652926 561876946 /nfs/dbraw/zinc/87/69/46/561876946.db2.gz FZMAOCUIZZPJBS-CCEZHUSRSA-N 1 0 514.670 3.905 1 0 KHAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000027653452 561877059 /nfs/dbraw/zinc/87/70/59/561877059.db2.gz LAOYKAPCPZXMLS-UHFFFAOYSA-N 1 0 528.516 3.742 1 0 KHAFRO COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2F)cc1N1CC[NH2+]CC1 ZINC000027656021 561877551 /nfs/dbraw/zinc/87/75/51/561877551.db2.gz LIXZBFFJVFHSQY-UHFFFAOYSA-N 1 0 523.222 3.570 1 0 KHAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000027707922 561879104 /nfs/dbraw/zinc/87/91/04/561879104.db2.gz IYCBWGNILAJQQO-AYWVHJORSA-N 1 0 605.771 3.940 1 0 KHAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CC[NH+]3CCCC3)CC2)c(F)c1 ZINC000027707927 561879072 /nfs/dbraw/zinc/87/90/72/561879072.db2.gz QEJZIIPTGOUQDA-PDDLMNHVSA-N 1 0 587.781 3.801 1 0 KHAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000027708840 561879340 /nfs/dbraw/zinc/87/93/40/561879340.db2.gz GDWMRCWXJMKQFZ-POURPWNDSA-N 1 0 569.791 3.662 1 0 KHAFRO CCCN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC000027716445 561880306 /nfs/dbraw/zinc/88/03/06/561880306.db2.gz CESGTJDRXQTCKR-SANMLTNESA-N 1 0 521.687 3.699 1 0 KHAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(C(C)(C)C)n3)c(F)c2)CC1 ZINC000027735359 561881778 /nfs/dbraw/zinc/88/17/78/561881778.db2.gz YXNYGXZXGFWKFT-LJQANCHMSA-N 1 0 541.624 3.888 1 0 KHAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4ccco4)n3)c(F)c2)CC1 ZINC000027736568 561881877 /nfs/dbraw/zinc/88/18/77/561881877.db2.gz SZANANXMNDTHPA-LJQANCHMSA-N 1 0 551.575 3.850 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000027736804 561882007 /nfs/dbraw/zinc/88/20/07/561882007.db2.gz SVOIYZOGBVGZOD-PFTLFKNFSA-N 1 0 516.682 3.765 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000027736811 561882032 /nfs/dbraw/zinc/88/20/32/561882032.db2.gz SVOIYZOGBVGZOD-RUGFHNIFSA-N 1 0 516.682 3.765 1 0 KHAFRO CC(C)OCc1nc(-c2ccc(OCCC[N@@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027738404 561882161 /nfs/dbraw/zinc/88/21/61/561882161.db2.gz QGOCGFHDWWVQDU-HXUWFJFHSA-N 1 0 557.623 3.515 1 0 KHAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4ccoc4)n3)c(F)c2)CC1 ZINC000027738526 561882104 /nfs/dbraw/zinc/88/21/04/561882104.db2.gz IQMVYZCNRCGGJN-LJQANCHMSA-N 1 0 551.575 3.850 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000027739005 561882319 /nfs/dbraw/zinc/88/23/19/561882319.db2.gz SVOIYZOGBVGZOD-GYJOZPATSA-N 1 0 516.682 3.765 1 0 KHAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4cncs4)n3)c(F)c2)CC1 ZINC000027739222 561882254 /nfs/dbraw/zinc/88/22/54/561882254.db2.gz PABJQFMRLMJUNF-GOSISDBHSA-N 1 0 568.631 3.714 1 0 KHAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4cccnc4)n3)c(F)c2)CC1 ZINC000027740614 561882490 /nfs/dbraw/zinc/88/24/90/561882490.db2.gz ONAMUDSFWTZGEO-HXUWFJFHSA-N 1 0 562.602 3.652 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000027741084 561882533 /nfs/dbraw/zinc/88/25/33/561882533.db2.gz SVOIYZOGBVGZOD-BJMUYUMPSA-N 1 0 516.682 3.765 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1 ZINC000027741091 561882532 /nfs/dbraw/zinc/88/25/32/561882532.db2.gz VLEBVIXAWMWDMY-KVMIIFOYSA-N 1 0 547.692 3.553 1 0 KHAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4ccncc4)n3)c(F)c2)CC1 ZINC000027745288 561882991 /nfs/dbraw/zinc/88/29/91/561882991.db2.gz GJKLVQZEKKBGFG-HXUWFJFHSA-N 1 0 562.602 3.652 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000027750208 561883258 /nfs/dbraw/zinc/88/32/58/561883258.db2.gz SVOIYZOGBVGZOD-JKROCSJBSA-N 1 0 516.682 3.765 1 0 KHAFRO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(=O)C[NH+](C)C ZINC000027860799 561887039 /nfs/dbraw/zinc/88/70/39/561887039.db2.gz BPOJDIXXCVFYFB-GDLZYMKVSA-N 1 0 596.776 3.616 1 0 KHAFRO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(=O)C[NH+](C)C ZINC000027860804 561886948 /nfs/dbraw/zinc/88/69/48/561886948.db2.gz BPOJDIXXCVFYFB-LJAQVGFWSA-N 1 0 596.776 3.616 1 0 KHAFRO CN(C)S(=O)(=O)c1ccc2c(c1)N(CC[NH+]1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1S2 ZINC000027861252 561887166 /nfs/dbraw/zinc/88/71/66/561887166.db2.gz YANWWRRPEDHRTH-UHFFFAOYSA-N 1 0 563.749 3.968 1 0 KHAFRO CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000027861945 561887162 /nfs/dbraw/zinc/88/71/62/561887162.db2.gz SDEMLBRQGBKSTH-MHZLTWQESA-N 1 0 537.686 3.790 1 0 KHAFRO O=C([O-])COc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027864021 561887429 /nfs/dbraw/zinc/88/74/29/561887429.db2.gz GGEBTFWMGNLPGX-HHHXNRCGSA-N 1 0 565.736 3.831 1 0 KHAFRO O=C([O-])COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027864028 561887383 /nfs/dbraw/zinc/88/73/83/561887383.db2.gz GGEBTFWMGNLPGX-MHZLTWQESA-N 1 0 565.736 3.831 1 0 KHAFRO COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027873351 561888417 /nfs/dbraw/zinc/88/84/17/561888417.db2.gz ZVBJWFWKWBILEQ-AREMUKBSSA-N 1 0 535.710 3.903 1 0 KHAFRO COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027873360 561888424 /nfs/dbraw/zinc/88/84/24/561888424.db2.gz ZVBJWFWKWBILEQ-SANMLTNESA-N 1 0 535.710 3.903 1 0 KHAFRO [NH3+]C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)CC1 ZINC000027888164 561889673 /nfs/dbraw/zinc/88/96/73/561889673.db2.gz FSVAWWOYUSROJH-BBNLSJJMSA-N 1 0 602.801 3.931 1 0 KHAFRO COC(=O)[C@@H](CCCC[NH3+])NC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Cl)cc2c1=O ZINC000027894299 561890033 /nfs/dbraw/zinc/89/00/33/561890033.db2.gz KHYJHICNVDZIRN-HSZRJFAPSA-N 1 0 506.990 3.657 1 0 KHAFRO COC(=O)[C@H](CCCC[NH3+])NC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Cl)cc2c1=O ZINC000027894305 561890041 /nfs/dbraw/zinc/89/00/41/561890041.db2.gz KHYJHICNVDZIRN-QHCPKHFHSA-N 1 0 506.990 3.657 1 0 KHAFRO CCOC(=O)n1nc(OCC[NH+]2CCC(C(=O)OC)(N(C(=O)CC)c3ccccc3)CC2)c2ccccc21 ZINC000027896215 561890268 /nfs/dbraw/zinc/89/02/68/561890268.db2.gz JXDPFURKOINOFA-UHFFFAOYSA-N 1 0 522.602 3.871 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCSC1 ZINC000027988405 561892695 /nfs/dbraw/zinc/89/26/95/561892695.db2.gz PMFDBJMZGOMLEP-FBQZJRKBSA-N 1 0 515.764 3.623 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCSC1 ZINC000027990627 561892981 /nfs/dbraw/zinc/89/29/81/561892981.db2.gz PMFDBJMZGOMLEP-GKLJYDMOSA-N 1 0 515.764 3.623 1 0 KHAFRO COc1ccc(CC[N@H+](C)CCOc2ccc(NS(C)(=O)=O)cc2Nc2nccs2)cc1OC ZINC000027990695 561893048 /nfs/dbraw/zinc/89/30/48/561893048.db2.gz NZSRKDGMSAJIAV-UHFFFAOYSA-N 1 0 506.650 3.829 1 0 KHAFRO COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000027991055 561893026 /nfs/dbraw/zinc/89/30/26/561893026.db2.gz WDCQAHBGAASJJM-LBDANMEMSA-N 1 0 600.805 3.668 1 0 KHAFRO COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000027991060 561893042 /nfs/dbraw/zinc/89/30/42/561893042.db2.gz WDCQAHBGAASJJM-CGNDNVFTSA-N 1 0 600.805 3.668 1 0 KHAFRO COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000027994276 561893653 /nfs/dbraw/zinc/89/36/53/561893653.db2.gz WDCQAHBGAASJJM-DVHLBBAASA-N 1 0 600.805 3.668 1 0 KHAFRO COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000027994282 561893678 /nfs/dbraw/zinc/89/36/78/561893678.db2.gz WDCQAHBGAASJJM-VUFXOVIRSA-N 1 0 600.805 3.668 1 0 KHAFRO CSCC[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027995372 561893711 /nfs/dbraw/zinc/89/37/11/561893711.db2.gz ROEOSNLXLMWGPJ-LITSAYRRSA-N 1 0 570.203 3.776 1 0 KHAFRO CSCC[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027995378 561893771 /nfs/dbraw/zinc/89/37/71/561893771.db2.gz ROEOSNLXLMWGPJ-WNJJXGMVSA-N 1 0 570.203 3.776 1 0 KHAFRO C[NH+](C)CCNC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000027995843 561893752 /nfs/dbraw/zinc/89/37/52/561893752.db2.gz NPAKJGXMDKTYBA-OAQYLSRUSA-N 1 0 511.494 3.733 1 0 KHAFRO C[NH+](C)CCNC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000027995849 561893730 /nfs/dbraw/zinc/89/37/30/561893730.db2.gz NPAKJGXMDKTYBA-NRFANRHFSA-N 1 0 511.494 3.733 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1=CCCSC1 ZINC000028003618 561895228 /nfs/dbraw/zinc/89/52/28/561895228.db2.gz OGXFLZGXLWUQAZ-HEMJVKPTSA-N 1 0 527.775 3.934 1 0 KHAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)CC[C@@H](C)O ZINC000028012618 561896551 /nfs/dbraw/zinc/89/65/51/561896551.db2.gz RRIAPBKNSVWTSC-ICTDUYRTSA-N 1 0 539.717 3.965 1 0 KHAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)CC[C@H](C)O ZINC000028012623 561896507 /nfs/dbraw/zinc/89/65/07/561896507.db2.gz RRIAPBKNSVWTSC-CAVYSCNFSA-N 1 0 539.717 3.965 1 0 KHAFRO CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028013419 561896871 /nfs/dbraw/zinc/89/68/71/561896871.db2.gz FFFVWIJXNCQDLE-UHFFFAOYSA-N 1 0 507.587 3.734 1 0 KHAFRO COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1csc3cc(OS(C)(=O)=O)ccc13)CC2 ZINC000028013596 561896835 /nfs/dbraw/zinc/89/68/35/561896835.db2.gz CYIYSNBJRJWLMQ-UHFFFAOYSA-N 1 0 546.711 3.749 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](/C=C/C(CCCc1ccccc1)CCCc1ccccc1)Cc1ccccc1 ZINC000028085555 561898972 /nfs/dbraw/zinc/89/89/72/561898972.db2.gz PGBHAUICLBMQEB-IQVVWPEVSA-N 1 0 697.921 3.753 1 0 KHAFRO COc1cc2cncc(CC[N@@H+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC ZINC000028086643 561899211 /nfs/dbraw/zinc/89/92/11/561899211.db2.gz BPSWUCUUCGCPTR-UHFFFAOYSA-N 1 0 507.631 3.761 1 0 KHAFRO CN(C)c1ccc(S(=O)(=O)NCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO)c2ccccc21 ZINC000028094015 561900555 /nfs/dbraw/zinc/90/05/55/561900555.db2.gz BMRGJNCHMLHJKJ-LNGRPADBSA-N 1 0 505.725 3.932 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1 ZINC000028096699 561900947 /nfs/dbraw/zinc/90/09/47/561900947.db2.gz YDJKLKDDLXZINK-FIBWVYCGSA-N 1 0 551.691 3.908 1 0 KHAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc(Cl)c1)N(C)[C@@H]2c1cccc(Cl)c1 ZINC000028103277 561901913 /nfs/dbraw/zinc/90/19/13/561901913.db2.gz MIZNBULCYIWDBH-OUYJLQGDSA-N 1 0 505.398 3.555 1 0 KHAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000028112663 561903258 /nfs/dbraw/zinc/90/32/58/561903258.db2.gz MUNCDYSDMHCDQC-OUYJLQGDSA-N 1 0 505.398 3.555 1 0 KHAFRO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028113518 561903382 /nfs/dbraw/zinc/90/33/82/561903382.db2.gz KTFGBMXGPUIYSS-JHUVIDRYSA-N 1 0 694.921 3.930 1 0 in-vivo KHAFRO COc1cccc(-c2c(C)n(CC[N@H+](C)CCc3ccccn3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028120050 561904370 /nfs/dbraw/zinc/90/43/70/561904370.db2.gz IIYOQMQCYJBONT-UHFFFAOYSA-N 1 0 520.580 3.890 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028121282 561904559 /nfs/dbraw/zinc/90/45/59/561904559.db2.gz BAMHKNGMDRDKAR-QHCPKHFHSA-N 1 0 563.102 3.758 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028121289 561904545 /nfs/dbraw/zinc/90/45/45/561904545.db2.gz BAMHKNGMDRDKAR-HSZRJFAPSA-N 1 0 563.102 3.758 1 0 KHAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)C1 ZINC000028124705 561904768 /nfs/dbraw/zinc/90/47/68/561904768.db2.gz UFQHJBUUPWHGOJ-DNQXCXABSA-N 1 0 518.580 3.637 1 0 KHAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC000028124711 561904784 /nfs/dbraw/zinc/90/47/84/561904784.db2.gz UFQHJBUUPWHGOJ-BJKOFHAPSA-N 1 0 518.580 3.637 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)C1 ZINC000028126793 561905046 /nfs/dbraw/zinc/90/50/46/561905046.db2.gz FBKHZLPEOSPGLO-DEOSSOPVSA-N 1 0 596.654 3.825 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)C1 ZINC000028126800 561905076 /nfs/dbraw/zinc/90/50/76/561905076.db2.gz FBKHZLPEOSPGLO-XMMPIXPASA-N 1 0 596.654 3.825 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(OC(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028128878 561905363 /nfs/dbraw/zinc/90/53/63/561905363.db2.gz NCLYEACPZRWZCW-QFIPXVFZSA-N 1 0 598.626 3.694 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(OC(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028128888 561905376 /nfs/dbraw/zinc/90/53/76/561905376.db2.gz NCLYEACPZRWZCW-JOCHJYFZSA-N 1 0 598.626 3.694 1 0 KHAFRO Cc1ccc2c(c1)n(C1CC[NH+](C[C@@H](O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C ZINC000028129583 561905526 /nfs/dbraw/zinc/90/55/26/561905526.db2.gz UGLKTMABKZLPJO-XMMPIXPASA-N 1 0 646.736 3.546 1 0 KHAFRO Cc1ccc2c(c1)n(C1CC[NH+](C[C@H](O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C ZINC000028129590 561905537 /nfs/dbraw/zinc/90/55/37/561905537.db2.gz UGLKTMABKZLPJO-DEOSSOPVSA-N 1 0 646.736 3.546 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028135546 561906483 /nfs/dbraw/zinc/90/64/83/561906483.db2.gz PWRDJKQRHWRDSX-QFIPXVFZSA-N 1 0 653.127 3.881 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028135552 561906486 /nfs/dbraw/zinc/90/64/86/561906486.db2.gz PWRDJKQRHWRDSX-JOCHJYFZSA-N 1 0 653.127 3.881 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028136229 561906585 /nfs/dbraw/zinc/90/65/85/561906585.db2.gz NXNBMJMGFHVRNG-QFIPXVFZSA-N 1 0 664.026 3.625 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028136238 561906623 /nfs/dbraw/zinc/90/66/23/561906623.db2.gz NXNBMJMGFHVRNG-JOCHJYFZSA-N 1 0 664.026 3.625 1 0 KHAFRO COc1ccc2c(c1)[nH]c(=O)n2C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(Br)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028137053 561906765 /nfs/dbraw/zinc/90/67/65/561906765.db2.gz YMQLLQKQRQQXHP-HSZRJFAPSA-N 1 0 623.552 3.567 1 0 KHAFRO COc1ccc2c(c1)[nH]c(=O)n2C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(Br)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028137061 561906734 /nfs/dbraw/zinc/90/67/34/561906734.db2.gz YMQLLQKQRQQXHP-QHCPKHFHSA-N 1 0 623.552 3.567 1 0 KHAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C ZINC000028222521 561907562 /nfs/dbraw/zinc/90/75/62/561907562.db2.gz RIKBUPGGGKOGAG-KAYWLYCHSA-N 1 0 544.700 3.522 1 0 KHAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1 ZINC000028223582 561907574 /nfs/dbraw/zinc/90/75/74/561907574.db2.gz CHTNUIJPYIFUPI-LOYHVIPDSA-N 1 0 578.717 3.718 1 0 KHAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c[nH]c2ccccc12 ZINC000028225909 561908028 /nfs/dbraw/zinc/90/80/28/561908028.db2.gz AKDNUSNIDDBNSA-FIRIVFDPSA-N 1 0 603.727 3.939 1 0 KHAFRO CC[NH+](CC)[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000028227148 561908323 /nfs/dbraw/zinc/90/83/23/561908323.db2.gz ROIAQVJIJMZSSX-GYVXDGDLSA-N 1 0 555.785 3.960 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)CCCCOc3c4occc4cc4ccc(=O)oc43)cn2C)cc1C(=O)NCC[NH+](C)C ZINC000028227177 561908383 /nfs/dbraw/zinc/90/83/83/561908383.db2.gz GTDGFJPLXBUGJN-UHFFFAOYSA-N 1 0 616.675 3.948 1 0 KHAFRO C[NH+](C)CCS[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000028230642 561909131 /nfs/dbraw/zinc/90/91/31/561909131.db2.gz TYMRKMAJBYJTEE-BQMULWJUSA-N 1 0 587.852 3.913 1 0 KHAFRO O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1C(=O)N[C@@H](CC1CC[NH2+]CC1)C(=O)C(=O)NCc1ccccc1 ZINC000028231366 561909199 /nfs/dbraw/zinc/90/91/99/561909199.db2.gz APMJXWYGVOBYKJ-AJQTZOPKSA-N 1 0 594.756 3.960 1 0 KHAFRO Cc1cc(C(=O)Nc2ccc(C3=[NH+]CCN3C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1 ZINC000028236972 561909933 /nfs/dbraw/zinc/90/99/33/561909933.db2.gz NMRULGHWGDHFNT-UHFFFAOYSA-N 1 0 505.575 3.821 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2[C@@H]([NH3+])[C@H]1O ZINC000028237259 561909981 /nfs/dbraw/zinc/90/99/81/561909981.db2.gz MRLZHJSWDCUIEE-SUPSOUEFSA-N 1 0 559.707 3.964 1 0 KHAFRO COc1cc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)cc(OC)c1OC ZINC000028256162 561911530 /nfs/dbraw/zinc/91/15/30/561911530.db2.gz USRSWONXSYDVGX-UHFFFAOYSA-N 1 0 580.632 3.907 1 0 KHAFRO Cc1c(-c2ccc3c(c2)OCCO3)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028257182 561911567 /nfs/dbraw/zinc/91/15/67/561911567.db2.gz GZMLKXHBHQOVMH-UHFFFAOYSA-N 1 0 548.590 3.653 1 0 KHAFRO COc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)cc1OC ZINC000028259032 561911916 /nfs/dbraw/zinc/91/19/16/561911916.db2.gz ZWXTXHVKXSLONG-UHFFFAOYSA-N 1 0 550.606 3.899 1 0 KHAFRO Cc1c(-c2ccc3c(c2)OCO3)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028259159 561912003 /nfs/dbraw/zinc/91/20/03/561912003.db2.gz MSDRULHMRPKHSG-UHFFFAOYSA-N 1 0 534.563 3.610 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1Sc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028260836 561912185 /nfs/dbraw/zinc/91/21/85/561912185.db2.gz BDAIKVIGZOMTAA-RUZDIDTESA-N 1 0 513.627 3.742 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@H]1Sc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028260842 561912165 /nfs/dbraw/zinc/91/21/65/561912165.db2.gz BDAIKVIGZOMTAA-VWLOTQADSA-N 1 0 513.627 3.742 1 0 KHAFRO CN(C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+])S(C)(=O)=O ZINC000028265302 561912577 /nfs/dbraw/zinc/91/25/77/561912577.db2.gz QLJRRSSDBZIMBI-VCOCNBDPSA-N 1 0 598.835 3.916 1 0 KHAFRO CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+])[C@@H](CNC(=O)CCCO)Cc1ccccc1 ZINC000028265608 561912553 /nfs/dbraw/zinc/91/25/53/561912553.db2.gz STTCRMQCDMERJQ-GVSIINHUSA-N 1 0 586.777 3.851 1 0 KHAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(C)(=O)=O)C(C)C ZINC000028330842 561912729 /nfs/dbraw/zinc/91/27/29/561912729.db2.gz BVKWGMKZYYAEOH-RUZDIDTESA-N 1 0 515.676 3.564 1 0 KHAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(C)(=O)=O)C(C)C ZINC000028330849 561912706 /nfs/dbraw/zinc/91/27/06/561912706.db2.gz BVKWGMKZYYAEOH-VWLOTQADSA-N 1 0 515.676 3.564 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4cccc(C)c43)CC2)C1 ZINC000028331947 561912825 /nfs/dbraw/zinc/91/28/25/561912825.db2.gz VQUXNXIPEAVFFP-DEOSSOPVSA-N 1 0 607.553 3.867 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4cccc(C)c43)CC2)C1 ZINC000028331955 561912852 /nfs/dbraw/zinc/91/28/52/561912852.db2.gz VQUXNXIPEAVFFP-XMMPIXPASA-N 1 0 607.553 3.867 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4cc(C)ccc43)CC2)C1 ZINC000028335285 561913179 /nfs/dbraw/zinc/91/31/79/561913179.db2.gz QHXKDVRKMMCWRP-DEOSSOPVSA-N 1 0 607.553 3.867 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4cc(C)ccc43)CC2)C1 ZINC000028335292 561913355 /nfs/dbraw/zinc/91/33/55/561913355.db2.gz QHXKDVRKMMCWRP-XMMPIXPASA-N 1 0 607.553 3.867 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@@H](O)C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)C1 ZINC000028336331 561913367 /nfs/dbraw/zinc/91/33/67/561913367.db2.gz BNGNYFFUGHBHKE-DEOSSOPVSA-N 1 0 577.129 3.768 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@H](O)C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)C1 ZINC000028336338 561913337 /nfs/dbraw/zinc/91/33/37/561913337.db2.gz BNGNYFFUGHBHKE-XMMPIXPASA-N 1 0 577.129 3.768 1 0 KHAFRO Cc1cc(-c2nn(C[C@@H](O)C[NH+]3CCC(n4c(=O)[nH]c5ccc(Cl)cc54)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1Cl ZINC000028339134 561913693 /nfs/dbraw/zinc/91/36/93/561913693.db2.gz UCQLUWCPLPDLFX-QFIPXVFZSA-N 1 0 633.602 3.824 1 0 KHAFRO Cc1cc(-c2nn(C[C@H](O)C[NH+]3CCC(n4c(=O)[nH]c5ccc(Cl)cc54)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1Cl ZINC000028339143 561913708 /nfs/dbraw/zinc/91/37/08/561913708.db2.gz UCQLUWCPLPDLFX-JOCHJYFZSA-N 1 0 633.602 3.824 1 0 KHAFRO CC(C)C[N@@H+]1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028340287 561913846 /nfs/dbraw/zinc/91/38/46/561913846.db2.gz LPAAMNBCVQUGHZ-WDYNHAJCSA-N 1 0 599.836 3.887 1 0 KHAFRO Cn1c2ccc(Cl)cc2n(C2CC[NH+](C[C@H](O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c1=O ZINC000028341002 561913984 /nfs/dbraw/zinc/91/39/84/561913984.db2.gz QXIOGFFGXFJNOS-QHCPKHFHSA-N 1 0 667.154 3.891 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028344514 561914615 /nfs/dbraw/zinc/91/46/15/561914615.db2.gz KXSMGYLIYWBBRG-QHCPKHFHSA-N 1 0 593.526 3.558 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028344521 561914665 /nfs/dbraw/zinc/91/46/65/561914665.db2.gz KXSMGYLIYWBBRG-HSZRJFAPSA-N 1 0 593.526 3.558 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028344528 561914661 /nfs/dbraw/zinc/91/46/61/561914661.db2.gz KMQBHSPGLHHBDJ-QHCPKHFHSA-N 1 0 582.627 3.815 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028344535 561914623 /nfs/dbraw/zinc/91/46/23/561914623.db2.gz KMQBHSPGLHHBDJ-HSZRJFAPSA-N 1 0 582.627 3.815 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(I)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)C1 ZINC000028345367 561914713 /nfs/dbraw/zinc/91/47/13/561914713.db2.gz XIZGCBGDWBTXCT-QHCPKHFHSA-N 1 0 658.516 3.539 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(I)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)C1 ZINC000028345373 561914730 /nfs/dbraw/zinc/91/47/30/561914730.db2.gz XIZGCBGDWBTXCT-HSZRJFAPSA-N 1 0 658.516 3.539 1 0 KHAFRO COCC[N@H+](C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028346377 561914907 /nfs/dbraw/zinc/91/49/07/561914907.db2.gz UGBBDLMUDPROHP-FIRIVFDPSA-N 1 0 604.195 3.509 1 0 KHAFRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028346652 561915101 /nfs/dbraw/zinc/91/51/01/561915101.db2.gz NKVAOVHVGQNSIX-XYORVBSASA-N 1 0 629.249 3.833 1 0 KHAFRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028346659 561915008 /nfs/dbraw/zinc/91/50/08/561915008.db2.gz NKVAOVHVGQNSIX-TYZKWPDLSA-N 1 0 629.249 3.833 1 0 KHAFRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028346666 561915028 /nfs/dbraw/zinc/91/50/28/561915028.db2.gz NKVAOVHVGQNSIX-ZKJISJESSA-N 1 0 629.249 3.833 1 0 KHAFRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028346674 561914978 /nfs/dbraw/zinc/91/49/78/561914978.db2.gz NKVAOVHVGQNSIX-MPSMQLKESA-N 1 0 629.249 3.833 1 0 KHAFRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000028349707 561915347 /nfs/dbraw/zinc/91/53/47/561915347.db2.gz FSKFKMCMKZGDFB-GWBAKXAOSA-N 1 0 603.211 3.819 1 0 KHAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCCn2ccnc2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028350901 561915504 /nfs/dbraw/zinc/91/55/04/561915504.db2.gz GWZCEQCLTPHCDE-CZNDPXEESA-N 1 0 640.232 3.807 1 0 KHAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCCN2CCCC2=O)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028350913 561915532 /nfs/dbraw/zinc/91/55/32/561915532.db2.gz SPYZGNUOHONYKK-CZNDPXEESA-N 1 0 657.259 3.533 1 0 KHAFRO [NH3+][C@H]1CCCC[C@@H]1NCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028351745 561915555 /nfs/dbraw/zinc/91/55/55/561915555.db2.gz PLKIPDPPNXAIHY-UYEZAFAQSA-N 1 0 629.249 3.790 1 0 KHAFRO CCCCN1C(=O)N(Cc2cccc(C(=[NH2+])NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc(OC)c1 ZINC000028360358 561916735 /nfs/dbraw/zinc/91/67/35/561916735.db2.gz HKCNZQGJYRSNGD-VSGBNLITSA-N 1 0 595.722 3.615 1 0 KHAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000028361170 561916864 /nfs/dbraw/zinc/91/68/64/561916864.db2.gz BORUUXXGFWWZKT-KOSHJBKYSA-N 1 0 543.667 3.561 1 0 KHAFRO CCCCN1C(=O)N(Cc2cccc(C(=[NH2+])NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc([C@@H](C)O)c1 ZINC000028364586 561917360 /nfs/dbraw/zinc/91/73/60/561917360.db2.gz HCMXOTAJEZTHKA-RNOQYBQRSA-N 1 0 609.749 3.660 1 0 KHAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028365274 561917559 /nfs/dbraw/zinc/91/75/59/561917559.db2.gz DJTBTUNHHDQLNR-ULOHSEQHSA-N 1 0 584.802 3.676 1 0 KHAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000028365924 561917497 /nfs/dbraw/zinc/91/74/97/561917497.db2.gz YIAUQEMHLVUETN-CLOONOSVSA-N 1 0 542.679 3.734 1 0 KHAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000028365946 561917592 /nfs/dbraw/zinc/91/75/92/561917592.db2.gz KLSDKCKHWHCJSM-CLOONOSVSA-N 1 0 557.694 3.586 1 0 KHAFRO CCCCN1C(=O)N(Cc2cccc(C(=[NH2+])NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000028366896 561917658 /nfs/dbraw/zinc/91/76/58/561917658.db2.gz YXJHAVXCILOSAG-FQLXRVMXSA-N 1 0 607.733 3.809 1 0 KHAFRO O=C1[C@H]2C[C@@]34C=C[C@]2(OCN1CCc1ccccc1)[C@@H]1Oc2cc(O)cc5c2[C@@]13CC[N@H+](CC1CC1)[C@@H]4C5 ZINC000028366966 561917645 /nfs/dbraw/zinc/91/76/45/561917645.db2.gz NJUJFMQALNBHSV-BUVWRSTLSA-N 1 0 510.634 3.805 1 0 KHAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028368262 561917943 /nfs/dbraw/zinc/91/79/43/561917943.db2.gz DJTBTUNHHDQLNR-DUEBQHBBSA-N 1 0 584.802 3.676 1 0 KHAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000028368507 561917957 /nfs/dbraw/zinc/91/79/57/561917957.db2.gz PGIVEOHZAMQLKP-KOSHJBKYSA-N 1 0 544.651 3.528 1 0 KHAFRO C[C@H]1CN(Cc2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)[C@@H](C)C[NH2+]1 ZINC000028373958 561918929 /nfs/dbraw/zinc/91/89/29/561918929.db2.gz HXNYGNARSWEPBQ-PKEWHSBVSA-N 1 0 629.249 3.613 1 0 KHAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000028376839 561919388 /nfs/dbraw/zinc/91/93/88/561919388.db2.gz YGHRPBJBMRFBDH-RRPNLBNLSA-N 1 0 509.094 3.559 1 0 KHAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(NCCC[NH+]2CCCC2)n1 ZINC000028378110 561919461 /nfs/dbraw/zinc/91/94/61/561919461.db2.gz YAPSCWVXGRWXAI-UHFFFAOYSA-N 1 0 516.650 3.910 1 0 KHAFRO CO[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028379610 561919861 /nfs/dbraw/zinc/91/98/61/561919861.db2.gz QPZRQOXEDOMSOS-RDGATRHJSA-N 1 0 588.174 3.848 1 0 KHAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1cccc(C)c1 ZINC000028380863 561920095 /nfs/dbraw/zinc/92/00/95/561920095.db2.gz ZOHFLYWHOYHXCY-OTFXILOQSA-N 1 0 598.829 3.985 1 0 KHAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]C2CC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028382569 561920376 /nfs/dbraw/zinc/92/03/76/561920376.db2.gz ICRJCGLBFZCEKH-LOYHVIPDSA-N 1 0 572.153 3.683 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(C)o2)CC1 ZINC000028383493 561920604 /nfs/dbraw/zinc/92/06/04/561920604.db2.gz OAPAVRKVRIDCGV-UHFFFAOYSA-N 1 0 538.718 3.991 1 0 KHAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccnc(Cl)c2)CC1 ZINC000028384141 561920647 /nfs/dbraw/zinc/92/06/47/561920647.db2.gz OETRUEFWEQVHBT-UHFFFAOYSA-N 1 0 556.136 3.748 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(C)nc2)CC1 ZINC000028384180 561920643 /nfs/dbraw/zinc/92/06/43/561920643.db2.gz BGFKWWVJYJAFCM-UHFFFAOYSA-N 1 0 549.745 3.793 1 0 KHAFRO CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4cccc(Cl)c4)c3)c[nH]c21 ZINC000028384349 561920689 /nfs/dbraw/zinc/92/06/89/561920689.db2.gz LULHGWBRKLGYQP-QHCPKHFHSA-N 1 0 548.086 3.891 1 0 KHAFRO C[C@H](Cc1c[nH]c2c1cccc2OCC[NH3+])[NH2+]C[C@H](O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000028384370 561920655 /nfs/dbraw/zinc/92/06/55/561920655.db2.gz SHMZYLNMPWDEBQ-VGSWGCGISA-N 1 0 514.673 3.622 1 0 KHAFRO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)C[NH+]1CCN(CCO)CC1 ZINC000028385377 561920978 /nfs/dbraw/zinc/92/09/78/561920978.db2.gz BWPCUHINXKFNEZ-QGZVFWFLSA-N 1 0 558.022 3.636 1 0 KHAFRO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000028385383 561920969 /nfs/dbraw/zinc/92/09/69/561920969.db2.gz BWPCUHINXKFNEZ-KRWDZBQOSA-N 1 0 558.022 3.636 1 0 KHAFRO CNc1cccc([C@@](O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028385800 561921086 /nfs/dbraw/zinc/92/10/86/561921086.db2.gz JDEZYXDWDAPVDI-GDLZYMKVSA-N 1 0 507.700 3.966 1 0 KHAFRO CNc1cccc([C@](O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028385808 561921045 /nfs/dbraw/zinc/92/10/45/561921045.db2.gz JDEZYXDWDAPVDI-LJAQVGFWSA-N 1 0 507.700 3.966 1 0 KHAFRO C[C@@H](Nc1ccccc1N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028386033 561921066 /nfs/dbraw/zinc/92/10/66/561921066.db2.gz SSIKMEIRQDTWKF-JIPXPUAJSA-N 1 0 549.119 3.820 1 0 KHAFRO C[C@H](Nc1ccccc1N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028386038 561921012 /nfs/dbraw/zinc/92/10/12/561921012.db2.gz SSIKMEIRQDTWKF-KDYSTLNUSA-N 1 0 549.119 3.820 1 0 KHAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000028386310 561921092 /nfs/dbraw/zinc/92/10/92/561921092.db2.gz MCWZJZOROQSPHT-OAQYLSRUSA-N 1 0 517.634 3.733 1 0 KHAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000028386316 561921106 /nfs/dbraw/zinc/92/11/06/561921106.db2.gz MCWZJZOROQSPHT-NRFANRHFSA-N 1 0 517.634 3.733 1 0 KHAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(Cl)nc2)CC1 ZINC000028387649 561921382 /nfs/dbraw/zinc/92/13/82/561921382.db2.gz WWJOLPCMHNUGPN-UHFFFAOYSA-N 1 0 556.136 3.748 1 0 KHAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1cc(NCCC[NH+]2CCCC2)ncn1 ZINC000028389381 561921955 /nfs/dbraw/zinc/92/19/55/561921955.db2.gz TWJSIIMDBNBMSE-UHFFFAOYSA-N 1 0 516.650 3.910 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2csc(C)n2)CC1 ZINC000028389488 561921922 /nfs/dbraw/zinc/92/19/22/561921922.db2.gz KOYCHYABQCWZAV-UHFFFAOYSA-N 1 0 555.774 3.855 1 0 KHAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OCC(C)(C)C[NH+](C)C)n1 ZINC000028391851 561922372 /nfs/dbraw/zinc/92/23/72/561922372.db2.gz AYLYLYGPZGHYDP-UHFFFAOYSA-N 1 0 519.650 3.979 1 0 KHAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(N(C)C2CC[NH+](C)CC2)n1 ZINC000028392352 561922556 /nfs/dbraw/zinc/92/25/56/561922556.db2.gz NLYDRENNWCTRBV-UHFFFAOYSA-N 1 0 516.650 3.543 1 0 KHAFRO COCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028393624 561922817 /nfs/dbraw/zinc/92/28/17/561922817.db2.gz CPPSVSXPJZEOSH-AREMUKBSSA-N 1 0 555.144 3.756 1 0 KHAFRO Cc1ccc(C(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028396787 561923176 /nfs/dbraw/zinc/92/31/76/561923176.db2.gz GJKUAPTZMDGJBK-HHHXNRCGSA-N 1 0 602.607 3.955 1 0 KHAFRO COc1ccc(C(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028397995 561923424 /nfs/dbraw/zinc/92/34/24/561923424.db2.gz OMEPENINJNEJNC-HHHXNRCGSA-N 1 0 618.606 3.655 1 0 KHAFRO COc1ccccc1C(=O)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)CCCCC1 ZINC000028398002 561923460 /nfs/dbraw/zinc/92/34/60/561923460.db2.gz GPICGWHLQCOQQJ-AREMUKBSSA-N 1 0 618.606 3.655 1 0 KHAFRO COCC[NH+](CCNC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cc2)cn1C)CCOC ZINC000028398134 561923408 /nfs/dbraw/zinc/92/34/08/561923408.db2.gz IVAGFAACDBTGPB-UHFFFAOYSA-N 1 0 694.793 3.993 1 0 KHAFRO CN(C)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028456273 561923851 /nfs/dbraw/zinc/92/38/51/561923851.db2.gz XRXAKCDQCGISNT-HHHXNRCGSA-N 1 0 568.187 3.672 1 0 KHAFRO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cc2)cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000028457723 561924238 /nfs/dbraw/zinc/92/42/38/561924238.db2.gz ZEVRVTHQYAGAIP-UHFFFAOYSA-N 1 0 662.751 3.855 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1 ZINC000028457823 561924256 /nfs/dbraw/zinc/92/42/56/561924256.db2.gz RWUZHUJWLDWFTL-AREMUKBSSA-N 1 0 588.580 3.647 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1 ZINC000028457848 561924260 /nfs/dbraw/zinc/92/42/60/561924260.db2.gz MNMADXAXFOTAKU-AREMUKBSSA-N 1 0 606.570 3.786 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3cccs3)CCCCC2)CC1 ZINC000028457862 561924230 /nfs/dbraw/zinc/92/42/30/561924230.db2.gz WNAPUNASNPLERA-HSZRJFAPSA-N 1 0 594.609 3.708 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028457869 561924225 /nfs/dbraw/zinc/92/42/25/561924225.db2.gz HHHGGOMKUAYOJZ-HHHXNRCGSA-N 1 0 602.607 3.576 1 0 KHAFRO COc1cccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)c1 ZINC000028458087 561924276 /nfs/dbraw/zinc/92/42/76/561924276.db2.gz VTYFXSGVWVZOFL-MUUNZHRXSA-N 1 0 632.633 3.584 1 0 KHAFRO C[C@H](C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)[NH+](C)C ZINC000028458797 561924670 /nfs/dbraw/zinc/92/46/70/561924670.db2.gz BUZJMOVADKEUOX-HAZIQVTBSA-N 1 0 548.728 3.710 1 0 KHAFRO C[C@H](C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C(C)(C)C)[NH+](C)C ZINC000028458800 561924692 /nfs/dbraw/zinc/92/46/92/561924692.db2.gz BUZJMOVADKEUOX-GHTCTGIBSA-N 1 0 548.728 3.710 1 0 KHAFRO C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C(C)(C)C)[NH+](C)C ZINC000028458803 561924672 /nfs/dbraw/zinc/92/46/72/561924672.db2.gz BUZJMOVADKEUOX-GUGRYZTLSA-N 1 0 548.728 3.710 1 0 KHAFRO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1 ZINC000028458941 561924666 /nfs/dbraw/zinc/92/46/66/561924666.db2.gz GUOVHJVNYPRNQS-OWMVQFFQSA-N 1 0 560.739 3.902 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C1CCCCC1 ZINC000028458944 561924660 /nfs/dbraw/zinc/92/46/60/561924660.db2.gz GUOVHJVNYPRNQS-GMQHLUSMSA-N 1 0 560.739 3.902 1 0 KHAFRO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C1CCCCC1 ZINC000028458947 561924662 /nfs/dbraw/zinc/92/46/62/561924662.db2.gz GUOVHJVNYPRNQS-ZABCWCACSA-N 1 0 560.739 3.902 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccc(F)cc3)CCCCC2)CC1 ZINC000028461044 561925133 /nfs/dbraw/zinc/92/51/33/561925133.db2.gz LDJVXMVFFDHZCY-HHHXNRCGSA-N 1 0 620.597 3.715 1 0 KHAFRO COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1OC ZINC000028461243 561925264 /nfs/dbraw/zinc/92/52/64/561925264.db2.gz KXSRHFDSVLRCCT-HHHXNRCGSA-N 1 0 662.659 3.593 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3cccs3)CCCCC2)CC1 ZINC000028461514 561925275 /nfs/dbraw/zinc/92/52/75/561925275.db2.gz AWDCZSOETVHKLV-RUZDIDTESA-N 1 0 608.636 3.637 1 0 KHAFRO COC(=O)c1ccc(NC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028462667 561925668 /nfs/dbraw/zinc/92/56/68/561925668.db2.gz JJBRUWDDMOBYPF-HHHXNRCGSA-N 1 0 661.631 3.825 1 0 KHAFRO COc1cccc(-c2cn(Cc3c(F)cccc3S(=O)(=O)C(C)C)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028470427 561926823 /nfs/dbraw/zinc/92/68/23/561926823.db2.gz POABVPNODKFZMH-DEOSSOPVSA-N 1 0 569.630 3.894 1 0 KHAFRO CCc1c2c(cc3ncc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)C1=CC3=C(COC(=O)[C@]3(O)CC)[C@H](O)N1C2 ZINC000028475833 561928003 /nfs/dbraw/zinc/92/80/03/561928003.db2.gz HFGRLAVMZDGDGE-DITALETJSA-N 1 0 588.705 3.729 1 0 KHAFRO CCc1c2c(cc3ncc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)C1=CC3=C(COC(=O)[C@]3(O)CC)[C@@H](O)N1C2 ZINC000028475836 561927973 /nfs/dbraw/zinc/92/79/73/561927973.db2.gz HFGRLAVMZDGDGE-NDKRRWIDSA-N 1 0 588.705 3.729 1 0 KHAFRO C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028475901 561928179 /nfs/dbraw/zinc/92/81/79/561928179.db2.gz RKNIENCDWXXRHQ-OFVILXPXSA-N 1 0 579.525 3.678 1 0 KHAFRO CC(C)[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[NH2+]1 ZINC000028477938 561928670 /nfs/dbraw/zinc/92/86/70/561928670.db2.gz JFLIZFUVGDFTJJ-FCEKVYKBSA-N 1 0 585.809 3.543 1 0 KHAFRO CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[N@@H+]1C ZINC000028478132 561928659 /nfs/dbraw/zinc/92/86/59/561928659.db2.gz UTVJDBAFZSBXLX-IARZGTGTSA-N 1 0 585.809 3.639 1 0 KHAFRO CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[N@@H+]1C ZINC000028478135 561928710 /nfs/dbraw/zinc/92/87/10/561928710.db2.gz UTVJDBAFZSBXLX-FCEKVYKBSA-N 1 0 585.809 3.639 1 0 KHAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+][C@@H](C(C)(C)C)CN2)CC1 ZINC000028478231 561928811 /nfs/dbraw/zinc/92/88/11/561928811.db2.gz IRRPZAONIRBSLO-OZNIXHKMSA-N 1 0 599.836 3.933 1 0 KHAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(NCC[NH+]3CCCC3)sc2c1 ZINC000028520601 561928974 /nfs/dbraw/zinc/92/89/74/561928974.db2.gz ZCNACGKIKDEZFC-OFGMPYHFSA-N 1 0 701.912 3.911 1 0 KHAFRO CC(C)[C@@H]1C[NH2+]C[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)N1 ZINC000028520608 561928982 /nfs/dbraw/zinc/92/89/82/561928982.db2.gz BTVJJWXBDFIAOY-PKTNWEFCSA-N 1 0 585.809 3.543 1 0 KHAFRO CC(C)[C@H]1C[NH2+]C[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)N1 ZINC000028520610 561928940 /nfs/dbraw/zinc/92/89/40/561928940.db2.gz BTVJJWXBDFIAOY-FCEKVYKBSA-N 1 0 585.809 3.543 1 0 KHAFRO CC(C)N(C(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[N@H+](C)CCN2)CC1)C(C)C ZINC000028520613 561928920 /nfs/dbraw/zinc/92/89/20/561928920.db2.gz HZZLHJKIQLUQGF-WDYNHAJCSA-N 1 0 585.809 3.591 1 0 KHAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(N(C)CC[NH+]3CCCC3)sc2c1 ZINC000028520681 561929049 /nfs/dbraw/zinc/92/90/49/561929049.db2.gz MKLOOYNBRYBTHY-OMBKUMFSSA-N 1 0 715.939 3.935 1 0 KHAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+][C@@H](C3(C)CC3)CN2)CC1 ZINC000028521338 561929259 /nfs/dbraw/zinc/92/92/59/561929259.db2.gz KCWHWUCNCXDLJF-OZNIXHKMSA-N 1 0 597.820 3.687 1 0 KHAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+][C@H](C(C)(C)C)CN2)CC1 ZINC000028522127 561929450 /nfs/dbraw/zinc/92/94/50/561929450.db2.gz IRRPZAONIRBSLO-PKTNWEFCSA-N 1 0 599.836 3.933 1 0 KHAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+][C@H](C3(C)CC3)CN2)CC1 ZINC000028522130 561929466 /nfs/dbraw/zinc/92/94/66/561929466.db2.gz KCWHWUCNCXDLJF-PKTNWEFCSA-N 1 0 597.820 3.687 1 0 KHAFRO O=C(N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)OCc1ccccc1 ZINC000028522246 561929459 /nfs/dbraw/zinc/92/94/59/561929459.db2.gz YOOWHGMISVYFBR-MUUNZHRXSA-N 1 0 572.735 3.990 1 0 KHAFRO O=C(NCCO)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028522277 561929441 /nfs/dbraw/zinc/92/94/41/561929441.db2.gz YITJJGWDWIIORX-AREMUKBSSA-N 1 0 604.604 3.939 1 0 KHAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(N(C)CCC[NH+]3CCCC3)oc2c1 ZINC000028522810 561929565 /nfs/dbraw/zinc/92/95/65/561929565.db2.gz FWFIWTPXJSEIQM-IFOFDEQYSA-N 1 0 713.898 3.856 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028522814 561929692 /nfs/dbraw/zinc/92/96/92/561929692.db2.gz GVPVGDSXVWSVRJ-IDYPCJJGSA-N 1 0 618.782 3.907 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCCc1ccccc1 ZINC000028522926 561929722 /nfs/dbraw/zinc/92/97/22/561929722.db2.gz HJEMTEIBBSGTRL-IDYPCJJGSA-N 1 0 635.813 3.667 1 0 KHAFRO CC(C)[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[NH2+]1 ZINC000028522967 561929832 /nfs/dbraw/zinc/92/98/32/561929832.db2.gz JFLIZFUVGDFTJJ-PKTNWEFCSA-N 1 0 585.809 3.543 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1 ZINC000028523063 561929789 /nfs/dbraw/zinc/92/97/89/561929789.db2.gz UOJFPIZQZJLCAX-FRDKBHKLSA-N 1 0 593.732 3.557 1 0 KHAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028523210 561930011 /nfs/dbraw/zinc/93/00/11/561930011.db2.gz DZEMZHXEKMDTDY-FNTXHVAFSA-N 1 0 618.782 3.907 1 0 KHAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(NCCC[NH+](C)C)sc2c1 ZINC000028523395 561930178 /nfs/dbraw/zinc/93/01/78/561930178.db2.gz MRUFJAYJGSGYNJ-WCKDLAHTSA-N 1 0 689.901 3.766 1 0 KHAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(N(C)CCC[NH+](C)C)sc2c1 ZINC000028523554 561930289 /nfs/dbraw/zinc/93/02/89/561930289.db2.gz HBJMMMAJSBLTMB-OFGMPYHFSA-N 1 0 703.928 3.791 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028523803 561930363 /nfs/dbraw/zinc/93/03/63/561930363.db2.gz DZEMZHXEKMDTDY-CDSZWMAJSA-N 1 0 618.782 3.907 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028523888 561930653 /nfs/dbraw/zinc/93/06/53/561930653.db2.gz DZEMZHXEKMDTDY-LENAEUCASA-N 1 0 618.782 3.907 1 0 KHAFRO CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1cccc(N2CC[NH+](C)CC2)c1 ZINC000028524914 561931004 /nfs/dbraw/zinc/93/10/04/561931004.db2.gz FRIVMVVGIHXEKK-IDZRBWSNSA-N 1 0 573.782 3.551 1 0 KHAFRO C[NH2+][C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028527399 561932389 /nfs/dbraw/zinc/93/23/89/561932389.db2.gz NEYQLRVQPHSIPG-JJEZKPMQSA-N 1 0 586.180 3.507 1 0 KHAFRO C[NH2+][C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028527402 561932379 /nfs/dbraw/zinc/93/23/79/561932379.db2.gz NEYQLRVQPHSIPG-FAOMPSFFSA-N 1 0 586.180 3.507 1 0 KHAFRO C[NH+](C)[C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028528230 561932958 /nfs/dbraw/zinc/93/29/58/561932958.db2.gz BOSMDIPMRDHNDU-AFEGNUHBSA-N 1 0 600.207 3.850 1 0 KHAFRO CC[N@@H+]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028528954 561933604 /nfs/dbraw/zinc/93/36/04/561933604.db2.gz JTJWQYXRVACUGS-FIRIVFDPSA-N 1 0 586.180 3.809 1 0 KHAFRO CC[N@@H+]1CCc2c(cccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1 ZINC000028528956 561933624 /nfs/dbraw/zinc/93/36/24/561933624.db2.gz JULTYTPAEPLXQT-FIRIVFDPSA-N 1 0 586.180 3.809 1 0 KHAFRO [NH3+][C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529156 561933672 /nfs/dbraw/zinc/93/36/72/561933672.db2.gz OWPZMDOJHYYKAP-AJQTZOPKSA-N 1 0 645.248 3.538 1 0 KHAFRO [NH3+][C@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529159 561933731 /nfs/dbraw/zinc/93/37/31/561933731.db2.gz OWPZMDOJHYYKAP-ROJLCIKYSA-N 1 0 645.248 3.538 1 0 KHAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cccc(O)c1 ZINC000028564941 561935850 /nfs/dbraw/zinc/93/58/50/561935850.db2.gz PNSBSFRKQIWBKX-UHFFFAOYSA-N 1 0 543.628 3.858 1 0 KHAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cc(C(N)=O)ccc2n1C ZINC000028565576 561936166 /nfs/dbraw/zinc/93/61/66/561936166.db2.gz VDJRYZDEBNXNTO-UHFFFAOYSA-N 1 0 623.718 3.743 1 0 KHAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCn3ccc(N4CCCCC4)nc3=O)CC2)cc(C(F)(F)F)n1 ZINC000028567910 561937003 /nfs/dbraw/zinc/93/70/03/561937003.db2.gz WZWWBVCSJDIKCC-UHFFFAOYSA-N 1 0 521.632 3.942 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1ncc(CNS(=O)(=O)c2cccc(F)c2)s1 ZINC000028568246 561937251 /nfs/dbraw/zinc/93/72/51/561937251.db2.gz ZJPUQUNOMKGXTC-UHFFFAOYSA-N 1 0 616.741 3.929 1 0 KHAFRO Cc1cc(N2CC[NH+](CCO)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028569672 561938292 /nfs/dbraw/zinc/93/82/92/561938292.db2.gz BUMJLIRKJQBOKV-UHFFFAOYSA-N 1 0 504.509 3.574 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cc(F)ccc3Br)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572068 561939741 /nfs/dbraw/zinc/93/97/41/561939741.db2.gz YPFFIYLKHPLBMP-MUUNZHRXSA-N 1 0 628.453 3.873 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cc(F)ccc3Br)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572069 561939727 /nfs/dbraw/zinc/93/97/27/561939727.db2.gz YPFFIYLKHPLBMP-NDEPHWFRSA-N 1 0 628.453 3.873 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccccc3Cl)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572151 561939734 /nfs/dbraw/zinc/93/97/34/561939734.db2.gz HDJRNAXNIIYYDN-MUUNZHRXSA-N 1 0 566.012 3.625 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccccc3Cl)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572152 561939788 /nfs/dbraw/zinc/93/97/88/561939788.db2.gz HDJRNAXNIIYYDN-NDEPHWFRSA-N 1 0 566.012 3.625 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000028572229 561939896 /nfs/dbraw/zinc/93/98/96/561939896.db2.gz MUMVAWLSJMWHJO-MHZLTWQESA-N 1 0 628.637 3.514 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC000028572230 561939923 /nfs/dbraw/zinc/93/99/23/561939923.db2.gz MUMVAWLSJMWHJO-HHHXNRCGSA-N 1 0 628.637 3.514 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572337 561939943 /nfs/dbraw/zinc/93/99/43/561939943.db2.gz ADBZKWUOYQQTEQ-MUUNZHRXSA-N 1 0 566.012 3.625 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572338 561939938 /nfs/dbraw/zinc/93/99/38/561939938.db2.gz ADBZKWUOYQQTEQ-NDEPHWFRSA-N 1 0 566.012 3.625 1 0 KHAFRO O=C1c2c3ccccc3n(CC3CC[NH2+]CC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@H]1N1CCN(CCO)CC1 ZINC000028572483 561940171 /nfs/dbraw/zinc/94/01/71/561940171.db2.gz LRPLIEMIFUAEMP-KAYWLYCHSA-N 1 0 537.104 3.979 1 0 KHAFRO O=C1c2c3ccccc3n(CC3CC[NH2+]CC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@@H]1N1CCN(CCO)CC1 ZINC000028572484 561940175 /nfs/dbraw/zinc/94/01/75/561940175.db2.gz LRPLIEMIFUAEMP-RRPNLBNLSA-N 1 0 537.104 3.979 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572553 561940200 /nfs/dbraw/zinc/94/02/00/561940200.db2.gz SUHLUTWOMKXESO-MUUNZHRXSA-N 1 0 599.564 3.991 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572554 561940209 /nfs/dbraw/zinc/94/02/09/561940209.db2.gz SUHLUTWOMKXESO-NDEPHWFRSA-N 1 0 599.564 3.991 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572555 561940206 /nfs/dbraw/zinc/94/02/06/561940206.db2.gz JOZDOJZHBGGSSC-MUUNZHRXSA-N 1 0 599.564 3.991 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572556 561940226 /nfs/dbraw/zinc/94/02/26/561940226.db2.gz JOZDOJZHBGGSSC-NDEPHWFRSA-N 1 0 599.564 3.991 1 0 KHAFRO C[N@H+](Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000028572684 561940394 /nfs/dbraw/zinc/94/03/94/561940394.db2.gz WECSIKINZAPKNB-UHFFFAOYSA-N 1 0 502.644 3.956 1 0 KHAFRO CCCc1c(C(=O)NCCCC[NH+]2CCN(c3ccccc3OC)CC2)nnn1Cc1ccc(OC)cc1 ZINC000028604068 561940596 /nfs/dbraw/zinc/94/05/96/561940596.db2.gz VNQMWRQYPRIJGM-UHFFFAOYSA-N 1 0 520.678 3.628 1 0 KHAFRO C[NH+](C)C[C@H]1OCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3cccc(F)c23)C[C@H]1F ZINC000028604410 561940634 /nfs/dbraw/zinc/94/06/34/561940634.db2.gz BPIBDQWVUGSWOV-NFBKMPQASA-N 1 0 504.537 3.601 1 0 KHAFRO COc1cc(/C=C/C(=O)OCCC[NH+]2CCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000028637374 561941734 /nfs/dbraw/zinc/94/17/34/561941734.db2.gz UPCKASFMIQLAMV-MDZDMXLPSA-N 1 0 616.708 3.549 1 0 KHAFRO COc1cc(/C=C/C(=O)OCCCN2CC[NH+](CCCOC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000028637483 561941692 /nfs/dbraw/zinc/94/16/92/561941692.db2.gz YYAMPGLGDCKJIK-WGDLNXRISA-N 1 0 642.746 3.949 1 0 KHAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637851 561941849 /nfs/dbraw/zinc/94/18/49/561941849.db2.gz WDPCLEPHZATCPH-ZHACJKMWSA-N 1 0 561.628 3.864 1 0 KHAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637877 561941775 /nfs/dbraw/zinc/94/17/75/561941775.db2.gz JCJUTQZXHFVSEU-VAWYXSNFSA-N 1 0 618.724 3.795 1 0 KHAFRO COc1cc(/C=C/C(=O)OCCC[NH2+]CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028638004 561941935 /nfs/dbraw/zinc/94/19/35/561941935.db2.gz WTIPTENGLBDFQR-MDZDMXLPSA-N 1 0 547.601 3.521 1 0 KHAFRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCN(c3ccccc3)CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000028646730 561945340 /nfs/dbraw/zinc/94/53/40/561945340.db2.gz LCUGJCSTXHBOAB-UHFFFAOYSA-N 1 0 531.623 3.781 1 0 KHAFRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCN(c3ccccc3F)CC2)CC1)Nc1ccccc1Cl ZINC000028646745 561945310 /nfs/dbraw/zinc/94/53/10/561945310.db2.gz KMMMGLVGXUMOBV-UHFFFAOYSA-N 1 0 516.061 3.554 1 0 KHAFRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1)Nc1ccccc1Cl ZINC000028646847 561945436 /nfs/dbraw/zinc/94/54/36/561945436.db2.gz AQUUACUTDVWBJA-UHFFFAOYSA-N 1 0 516.061 3.554 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1)C(=O)N1CCC[C@H]1C(N)=O ZINC000028655483 561946580 /nfs/dbraw/zinc/94/65/80/561946580.db2.gz CORMEWQNFDRECN-HKRXKFSESA-N 1 0 630.834 3.500 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000028655496 561946544 /nfs/dbraw/zinc/94/65/44/561946544.db2.gz YNMVMEOICCVXBZ-YLEYOLFGSA-N 1 0 644.861 3.748 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000028655499 561946700 /nfs/dbraw/zinc/94/67/00/561946700.db2.gz YNMVMEOICCVXBZ-RYSAPQFRSA-N 1 0 644.861 3.748 1 0 KHAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O ZINC000028701724 561946903 /nfs/dbraw/zinc/94/69/03/561946903.db2.gz FGKNVWQWKFERAE-DGPALRBDSA-N 1 0 551.691 3.594 1 0 KHAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccccc1CO ZINC000028702846 561947463 /nfs/dbraw/zinc/94/74/63/561947463.db2.gz WGYVOINAPLYJAH-UHFFFAOYSA-N 1 0 518.643 3.610 1 0 KHAFRO C[C@H](Cc1cccc(CC(=O)NCc2c(F)cccc2Cl)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000028703757 561947864 /nfs/dbraw/zinc/94/78/64/561947864.db2.gz NQVMGLYGFGYGNF-QUGAMOGWSA-N 1 0 500.998 3.790 1 0 KHAFRO CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000028705178 561948940 /nfs/dbraw/zinc/94/89/40/561948940.db2.gz YDSHWOAYBJHGOV-XZWHSSHBSA-N 1 0 574.722 3.548 1 0 KHAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CC[NH2+]CC2)c(OC)c1 ZINC000028705585 561948968 /nfs/dbraw/zinc/94/89/68/561948968.db2.gz RRNGOHQUDJKFBA-IBGZPJMESA-N 1 0 546.603 3.894 1 0 KHAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CC[NH2+]CC2)c(OC)c1 ZINC000028705588 561949034 /nfs/dbraw/zinc/94/90/34/561949034.db2.gz RRNGOHQUDJKFBA-LJQANCHMSA-N 1 0 546.603 3.894 1 0 KHAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705620 561949030 /nfs/dbraw/zinc/94/90/30/561949030.db2.gz ZYICSNKAONLWPB-DWACAAAGSA-N 1 0 643.720 3.885 1 0 KHAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705623 561949016 /nfs/dbraw/zinc/94/90/16/561949016.db2.gz ZYICSNKAONLWPB-DFHRPNOPSA-N 1 0 643.720 3.885 1 0 KHAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705627 561948974 /nfs/dbraw/zinc/94/89/74/561948974.db2.gz ZYICSNKAONLWPB-RBISFHTESA-N 1 0 643.720 3.885 1 0 KHAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705630 561949138 /nfs/dbraw/zinc/94/91/38/561949138.db2.gz ZYICSNKAONLWPB-SKCUWOTOSA-N 1 0 643.720 3.885 1 0 KHAFRO CCCNC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000028706018 561949270 /nfs/dbraw/zinc/94/92/70/561949270.db2.gz MMKNGHOPQMAJHW-XNMGPUDCSA-N 1 0 532.729 3.805 1 0 KHAFRO CC(C)NC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000028706027 561949363 /nfs/dbraw/zinc/94/93/63/561949363.db2.gz HJBLJZUZNVGMKX-XNMGPUDCSA-N 1 0 532.729 3.804 1 0 KHAFRO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=[NH2+])NCCc4ccccc4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706860 561949793 /nfs/dbraw/zinc/94/97/93/561949793.db2.gz IPIWYXVVZDAUNS-FTJBHMTQSA-N 1 0 507.656 3.958 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NC3CCC3)nc(Cl)c2-c2cccc(N)c2)c(C(F)(F)F)c1 ZINC000028708062 561950325 /nfs/dbraw/zinc/95/03/25/561950325.db2.gz RXJICFAZSFAWGS-UHFFFAOYSA-N 1 0 547.969 3.730 1 0 KHAFRO C[C@@H]1CN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)C[C@H](C)[NH2+]1 ZINC000028711622 561952160 /nfs/dbraw/zinc/95/21/60/561952160.db2.gz RDVNPVSXZAOSBC-ONBPZOJHSA-N 1 0 589.806 3.860 1 0 KHAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCC(O)CC2)CCCC1)c1cc2ccccc2s1 ZINC000028711673 561952163 /nfs/dbraw/zinc/95/21/63/561952163.db2.gz OPNLXPYPISMXMS-AREMUKBSSA-N 1 0 576.763 3.634 1 0 KHAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 ZINC000028711676 561952190 /nfs/dbraw/zinc/95/21/90/561952190.db2.gz PWQMHPOOQKRBIM-SSEXGKCCSA-N 1 0 645.870 3.974 1 0 KHAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH2+]C2CCOCC2)CCCC1)c1cc2ccccc2s1 ZINC000028711677 561952171 /nfs/dbraw/zinc/95/21/71/561952171.db2.gz LPICHTLAXTWFPU-AREMUKBSSA-N 1 0 576.763 3.946 1 0 KHAFRO O=C(CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000028711680 561952198 /nfs/dbraw/zinc/95/21/98/561952198.db2.gz QWEZKFRCENTWML-SSEXGKCCSA-N 1 0 673.880 3.891 1 0 KHAFRO O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000028711681 561952184 /nfs/dbraw/zinc/95/21/84/561952184.db2.gz VAMVTVGHAKZXHC-GDLZYMKVSA-N 1 0 659.853 3.501 1 0 KHAFRO O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000028711684 561952364 /nfs/dbraw/zinc/95/23/64/561952364.db2.gz RFCWJFHIOFRISZ-SSEXGKCCSA-N 1 0 673.880 3.749 1 0 KHAFRO O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000028711685 561952359 /nfs/dbraw/zinc/95/23/59/561952359.db2.gz ASOICHOYACLMGC-GDLZYMKVSA-N 1 0 659.853 3.501 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCCN2CCOCC2)C(C)C)C(C)C)ccc1OC ZINC000028711777 561952348 /nfs/dbraw/zinc/95/23/48/561952348.db2.gz NZBXYAPXXXYWPS-DZUOILHNSA-N 1 0 579.823 3.504 1 0 KHAFRO Nc1cccc(N2CCC(CNC(=O)c3[nH]nc(NC(=O)c4ccccc4Cl)c3Br)CC2)[nH+]1 ZINC000028711952 561952571 /nfs/dbraw/zinc/95/25/71/561952571.db2.gz WFFSPTMHWZWRHQ-UHFFFAOYSA-N 1 0 532.830 3.702 1 0 KHAFRO COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000028712792 561953268 /nfs/dbraw/zinc/95/32/68/561953268.db2.gz ASLPVBDUFMXHDG-NSOVKSMOSA-N 1 0 580.645 3.517 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3sccc3-c3nn[nH]n3)cc2)C1=O ZINC000028754657 561955227 /nfs/dbraw/zinc/95/52/27/561955227.db2.gz CPEMJKLZLUOHPM-OAQYLSRUSA-N 1 0 515.643 3.687 1 0 KHAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3cscc3-c3nn[nH]n3)cc2)C1=O ZINC000028755030 561955304 /nfs/dbraw/zinc/95/53/04/561955304.db2.gz OCVKRAKWKLVMQJ-JOCHJYFZSA-N 1 0 515.643 3.687 1 0 KHAFRO CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000028761841 561958232 /nfs/dbraw/zinc/95/82/32/561958232.db2.gz HYFAKKZFSMFPDN-QFIPXVFZSA-N 1 0 555.770 3.768 1 0 KHAFRO CO[C@@H]1O[C@H](COCCCCC[NH3+])[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1c[nH]cn1 ZINC000028770187 561961144 /nfs/dbraw/zinc/96/11/44/561961144.db2.gz WUUCLDZFJSAYRC-CMPUJJQDSA-N 1 0 539.673 3.983 1 0 KHAFRO CO[C@@H]1O[C@H](COCCCCC[NH3+])[C@@H](OCc2ccccc2)[C@H](OCc2c[nH]cn2)[C@H]1OCc1ccccc1 ZINC000028770189 561961107 /nfs/dbraw/zinc/96/11/07/561961107.db2.gz OZLZJJHWTXTZDG-CMPUJJQDSA-N 1 0 539.673 3.983 1 0 KHAFRO C[C@@H]1CCC[C@H](COC(=O)N2CCC([N@H+](C)C3CCN(C)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816479 561964199 /nfs/dbraw/zinc/96/41/99/561964199.db2.gz WROVAGDTPCEDAQ-HYBUGGRVSA-N 1 0 541.158 3.899 1 0 KHAFRO CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817331 561964775 /nfs/dbraw/zinc/96/47/75/561964775.db2.gz RYQRKWPMUFTILJ-ZGIBFIJWSA-N 1 0 625.779 3.813 1 0 KHAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)OCC(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817408 561964722 /nfs/dbraw/zinc/96/47/22/561964722.db2.gz SFIPFERDZPGSNY-JIMJEQGWSA-N 1 0 651.695 3.577 1 0 KHAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)S[C@@H]1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817415 561964753 /nfs/dbraw/zinc/96/47/53/561964753.db2.gz FMLMGLVVGNKBJT-VJLHXPKFSA-N 1 0 655.830 3.520 1 0 KHAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)S[C@H]1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817417 561964727 /nfs/dbraw/zinc/96/47/27/561964727.db2.gz FMLMGLVVGNKBJT-QUAHOIDUSA-N 1 0 655.830 3.520 1 0 KHAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817419 561964749 /nfs/dbraw/zinc/96/47/49/561964749.db2.gz YNOSWBMPGXOPJZ-OJDZSJEKSA-N 1 0 660.784 3.610 1 0 KHAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817420 561964761 /nfs/dbraw/zinc/96/47/61/561964761.db2.gz SACCVMQJINSDGD-OJDZSJEKSA-N 1 0 660.784 3.610 1 0 KHAFRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2nc3ncccc3c(NCc3ccc(Cl)cc3Cl)n2)CC1 ZINC000028817856 561965026 /nfs/dbraw/zinc/96/50/26/561965026.db2.gz GDQQUDANFRCFMF-FQEVSTJZSA-N 1 0 500.434 3.734 1 0 KHAFRO COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1 ZINC000028818182 561965266 /nfs/dbraw/zinc/96/52/66/561965266.db2.gz OJNGRQJLBMORTD-NDEPHWFRSA-N 1 0 502.659 3.838 1 0 KHAFRO COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1 ZINC000028818184 561965244 /nfs/dbraw/zinc/96/52/44/561965244.db2.gz OJNGRQJLBMORTD-MUUNZHRXSA-N 1 0 502.659 3.838 1 0 KHAFRO COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5ccncc5)CC4)ccc32)cc1 ZINC000028818186 561965172 /nfs/dbraw/zinc/96/51/72/561965172.db2.gz FJZUSTRVJVXQSY-LJAQVGFWSA-N 1 0 500.643 3.894 1 0 KHAFRO COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5ccncc5)CC4)ccc32)cc1 ZINC000028818189 561965192 /nfs/dbraw/zinc/96/51/92/561965192.db2.gz FJZUSTRVJVXQSY-GDLZYMKVSA-N 1 0 500.643 3.894 1 0 KHAFRO Cc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@@H+](C6CCOCC6)C5)C4)c(=O)c3s2)cc1 ZINC000028818554 561965385 /nfs/dbraw/zinc/96/53/85/561965385.db2.gz TZMZAJALVCDYKG-GOTSBHOMSA-N 1 0 521.687 3.985 1 0 KHAFRO COc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@@H+](C6CCOCC6)C5)C4)c(=O)c3s2)c(C)c1 ZINC000028818567 561965301 /nfs/dbraw/zinc/96/53/01/561965301.db2.gz FUWGDNMCGSLMJS-VXKWHMMOSA-N 1 0 551.713 3.994 1 0 KHAFRO O=C(N[C@H]1CC(=O)N(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000028819992 561965972 /nfs/dbraw/zinc/96/59/72/561965972.db2.gz PWFKOTHBUIUXGW-FADFPCINSA-N 1 0 527.109 3.702 1 0 KHAFRO CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1 ZINC000028821098 561966153 /nfs/dbraw/zinc/96/61/53/561966153.db2.gz MDXGSFQPRAXXFR-MHDHXZMLSA-N 1 0 610.759 3.873 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000028824441 561969674 /nfs/dbraw/zinc/96/96/74/561969674.db2.gz OTOSTXBGWUPWKJ-QFIPXVFZSA-N 1 0 613.582 3.747 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000028824442 561969758 /nfs/dbraw/zinc/96/97/58/561969758.db2.gz OTOSTXBGWUPWKJ-JOCHJYFZSA-N 1 0 613.582 3.747 1 0 KHAFRO CC[C@H](Cc1ccc2[nH]c(C(=O)NCc3c(OC)cccc3OC)cc2c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000028825094 561970307 /nfs/dbraw/zinc/97/03/07/561970307.db2.gz CSNSFVRQSBQIPR-LXFBAYGMSA-N 1 0 547.652 3.957 1 0 KHAFRO COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)ccc2n1C ZINC000028825095 561970311 /nfs/dbraw/zinc/97/03/11/561970311.db2.gz ZKDABDPWXDITRJ-GDJIYFAZSA-N 1 0 547.652 3.578 1 0 KHAFRO C[C@H](Cc1ccc2[nH]c(C(=O)NCc3c(F)cccc3F)cc2c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000028825107 561970356 /nfs/dbraw/zinc/97/03/56/561970356.db2.gz VOHPKWTZPSIPKC-JWIGPWBQSA-N 1 0 509.553 3.828 1 0 KHAFRO COc1cccc(CCNC(=O)c2cc3cc(C[C@@H](C)[NH2+]C[C@H](O)c4ccc(O)c(CO)c4)ccc3[nH]2)c1 ZINC000028825110 561970374 /nfs/dbraw/zinc/97/03/74/561970374.db2.gz FDAKLYKEIOPOKK-XBBWARJSSA-N 1 0 517.626 3.601 1 0 KHAFRO C[NH+]1CCN(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 ZINC000028825213 561970601 /nfs/dbraw/zinc/97/06/01/561970601.db2.gz YOLJRQHQYDNGJH-MHZLTWQESA-N 1 0 589.806 3.815 1 0 KHAFRO C[NH+]1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 ZINC000028825214 561970582 /nfs/dbraw/zinc/97/05/82/561970582.db2.gz YOLJRQHQYDNGJH-HHHXNRCGSA-N 1 0 589.806 3.815 1 0 KHAFRO C[NH+]1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 ZINC000028825230 561970590 /nfs/dbraw/zinc/97/05/90/561970590.db2.gz SKKXRUVXCQJZGP-JRYPVQGPSA-N 1 0 623.823 3.954 1 0 KHAFRO C[NH+]1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@]2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 ZINC000028825231 561970558 /nfs/dbraw/zinc/97/05/58/561970558.db2.gz SKKXRUVXCQJZGP-GERKYKROSA-N 1 0 623.823 3.954 1 0 KHAFRO C[NH+]1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)Cc3ccccc3C2)CC1 ZINC000028825241 561970606 /nfs/dbraw/zinc/97/06/06/561970606.db2.gz DDUDXQJJRXDLAT-SSEXGKCCSA-N 1 0 623.823 3.650 1 0 KHAFRO [NH3+]CCCOc1cc(N2CCOCC2)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000028825291 561970706 /nfs/dbraw/zinc/97/07/06/561970706.db2.gz VLLWKJPMBBUZEQ-UHFFFAOYSA-N 1 0 509.994 3.804 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(Cl)c(Cl)n4)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028863392 561972226 /nfs/dbraw/zinc/97/22/26/561972226.db2.gz PBJTYZVHUYAACO-UHFFFAOYSA-N 1 0 642.548 3.842 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc4ccccc4cn3)cn2C)cc1C(=O)Nc1cn(CCC[NH+](C)C)cn1 ZINC000028863574 561972344 /nfs/dbraw/zinc/97/23/44/561972344.db2.gz BXQRASWFYHJONT-UHFFFAOYSA-N 1 0 567.654 3.817 1 0 KHAFRO COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4nc(C(=O)NCCN5CCOCC5)c(C(C)C)s4)n(C)c3)n(C)c2)c1 ZINC000028864274 561973092 /nfs/dbraw/zinc/97/30/92/561973092.db2.gz PXEQCJQDUHZWBP-UHFFFAOYSA-N 1 0 675.816 3.956 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=N)c4ccc5ccccc5n4)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028864354 561973163 /nfs/dbraw/zinc/97/31/63/561973163.db2.gz TXGJNWRPJWQQOJ-UHFFFAOYSA-N 1 0 622.734 3.874 1 0 KHAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)NS(C)(=O)=O)cc1 ZINC000028869535 561973793 /nfs/dbraw/zinc/97/37/93/561973793.db2.gz BCHBHKJDHVVTJT-VWLOTQADSA-N 1 0 602.610 3.678 1 0 KHAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H](Cc2ccc(NC(N)=[NH2+])cc2)NS(C)(=O)=O)cc1 ZINC000028869538 561973865 /nfs/dbraw/zinc/97/38/65/561973865.db2.gz BCHBHKJDHVVTJT-RUZDIDTESA-N 1 0 602.610 3.678 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)[NH3+])=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870508 561973981 /nfs/dbraw/zinc/97/39/81/561973981.db2.gz JRHVNIXTOASGKA-UEFPSYNTSA-N 1 0 524.669 3.929 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)[NH3+])=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870512 561974029 /nfs/dbraw/zinc/97/40/29/561974029.db2.gz JRHVNIXTOASGKA-HBTXSTMGSA-N 1 0 524.669 3.929 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CC[NH3+])=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870523 561973965 /nfs/dbraw/zinc/97/39/65/561973965.db2.gz LECMDHXZFJRKEA-WDYNHAJCSA-N 1 0 524.669 3.930 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CC[NH3+])=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870526 561974022 /nfs/dbraw/zinc/97/40/22/561974022.db2.gz LECMDHXZFJRKEA-FQLXRVMXSA-N 1 0 524.669 3.930 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2c[nH]c3ccccc23)cc1 ZINC000028870813 561974086 /nfs/dbraw/zinc/97/40/86/561974086.db2.gz CNUADMYJUBUQPY-CEUYOYMZSA-N 1 0 604.759 3.624 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@H]2CCc2c[nH]c3ccccc23)cc1 ZINC000028870817 561974226 /nfs/dbraw/zinc/97/42/26/561974226.db2.gz CNUADMYJUBUQPY-XKKJXBDVSA-N 1 0 604.759 3.624 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2c[nH]c3ccccc23)cc1 ZINC000028870821 561974220 /nfs/dbraw/zinc/97/42/20/561974220.db2.gz CNUADMYJUBUQPY-SLGZMBILSA-N 1 0 604.759 3.624 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@H]2CCc2c[nH]c3ccccc23)cc1 ZINC000028870825 561974218 /nfs/dbraw/zinc/97/42/18/561974218.db2.gz CNUADMYJUBUQPY-WRVRXEDSSA-N 1 0 604.759 3.624 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000028870847 561974212 /nfs/dbraw/zinc/97/42/12/561974212.db2.gz XUFIZRUHNBOMBP-AXIPTUPBSA-N 1 0 634.785 3.633 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@H]2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000028870851 561974229 /nfs/dbraw/zinc/97/42/29/561974229.db2.gz XUFIZRUHNBOMBP-HWIYEDSRSA-N 1 0 634.785 3.633 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000028870855 561974246 /nfs/dbraw/zinc/97/42/46/561974246.db2.gz XUFIZRUHNBOMBP-JMMYRPRQSA-N 1 0 634.785 3.633 1 0 KHAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@H]2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000028870859 561974242 /nfs/dbraw/zinc/97/42/42/561974242.db2.gz XUFIZRUHNBOMBP-JBIUIVRGSA-N 1 0 634.785 3.633 1 0 KHAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870875 561974224 /nfs/dbraw/zinc/97/42/24/561974224.db2.gz CYSSFWSKKYLYQX-RTOKGZNSSA-N 1 0 563.750 3.697 1 0 KHAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870879 561974236 /nfs/dbraw/zinc/97/42/36/561974236.db2.gz CYSSFWSKKYLYQX-YKILCQELSA-N 1 0 563.750 3.697 1 0 KHAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870882 561974238 /nfs/dbraw/zinc/97/42/38/561974238.db2.gz CYSSFWSKKYLYQX-IWWXRALLSA-N 1 0 563.750 3.697 1 0 KHAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870887 561974232 /nfs/dbraw/zinc/97/42/32/561974232.db2.gz CYSSFWSKKYLYQX-XWHIBYANSA-N 1 0 563.750 3.697 1 0 KHAFRO CNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874702 561975195 /nfs/dbraw/zinc/97/51/95/561975195.db2.gz OUDYUUVZVNMOPP-AREMUKBSSA-N 1 0 508.663 3.997 1 0 KHAFRO CNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874706 561975353 /nfs/dbraw/zinc/97/53/53/561975353.db2.gz OUDYUUVZVNMOPP-SANMLTNESA-N 1 0 508.663 3.997 1 0 KHAFRO CNC(=O)CN1CN(c2ccccc2)C2(CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O ZINC000028875048 561975465 /nfs/dbraw/zinc/97/54/65/561975465.db2.gz KLWASKREVYRVHL-AREMUKBSSA-N 1 0 522.690 3.684 1 0 KHAFRO CNC(=O)CN1CN(c2ccccc2)C2(CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O ZINC000028875053 561975459 /nfs/dbraw/zinc/97/54/59/561975459.db2.gz KLWASKREVYRVHL-SANMLTNESA-N 1 0 522.690 3.684 1 0 KHAFRO CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000028876722 561975834 /nfs/dbraw/zinc/97/58/34/561975834.db2.gz BOSXPQNYNMINOQ-MGUPHCMFSA-N 1 0 564.752 3.966 1 0 KHAFRO O=C(OC[C@@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000028879118 561976188 /nfs/dbraw/zinc/97/61/88/561976188.db2.gz UTGTYKXGHNMKEA-UNMCSNQZSA-N 1 0 513.994 3.945 1 0 KHAFRO O=C(OC[C@@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000028879124 561976165 /nfs/dbraw/zinc/97/61/65/561976165.db2.gz UTGTYKXGHNMKEA-RBBKRZOGSA-N 1 0 513.994 3.945 1 0 KHAFRO O=C(OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000028879130 561976192 /nfs/dbraw/zinc/97/61/92/561976192.db2.gz UTGTYKXGHNMKEA-IRLDBZIGSA-N 1 0 513.994 3.945 1 0 KHAFRO O=C(OC[C@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000028879136 561976177 /nfs/dbraw/zinc/97/61/77/561976177.db2.gz UTGTYKXGHNMKEA-IFMALSPDSA-N 1 0 513.994 3.945 1 0 KHAFRO COc1cc(Br)cc(C(=O)NCCCC[N@@H+]2CCc3cc4c(cc3C2)OCCO4)c1OC ZINC000028882527 561977106 /nfs/dbraw/zinc/97/71/06/561977106.db2.gz VYQRRTHTVKWPGR-UHFFFAOYSA-N 1 0 505.409 3.806 1 0 KHAFRO O=C(NC1CCN(Cc2ccc(OCC[NH+]3CCCC3)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000028884095 561977452 /nfs/dbraw/zinc/97/74/52/561977452.db2.gz HLZNAQVCWPQRSV-UHFFFAOYSA-N 1 0 511.569 3.940 1 0 KHAFRO O=C(NCCN1CCC(F)(F)CC1)c1ccc(C[NH+]2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1 ZINC000028884204 561977468 /nfs/dbraw/zinc/97/74/68/561977468.db2.gz RZVMBDPRBHKUAY-UHFFFAOYSA-N 1 0 570.612 3.787 1 0 KHAFRO O=C(NCC[NH+]1CCCC1)c1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)c(Cl)c1 ZINC000028884212 561977383 /nfs/dbraw/zinc/97/73/83/561977383.db2.gz PZICIGRTMMYGOU-UHFFFAOYSA-N 1 0 555.050 3.806 1 0 KHAFRO Cc1cc(COc2ccc(C(=O)NCC3(C4CC[NH+](C5CCOCC5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892598 561978435 /nfs/dbraw/zinc/97/84/35/561978435.db2.gz JAJGEGVZSPWXRV-UHFFFAOYSA-N 1 0 599.688 3.936 1 0 KHAFRO O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N(CCN1CCOCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000028895448 561978996 /nfs/dbraw/zinc/97/89/96/561978996.db2.gz SDKQQZRGCACOCL-XIFFEERXSA-N 1 0 604.817 3.861 1 0 KHAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(N)cccc2c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000028895484 561978929 /nfs/dbraw/zinc/97/89/29/561978929.db2.gz MKQCBSCOEPXVBU-NDEPHWFRSA-N 1 0 520.699 3.741 1 0 KHAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CC[NH+](CCc2ccccc2C(N)=O)CC1 ZINC000028895548 561978942 /nfs/dbraw/zinc/97/89/42/561978942.db2.gz GLJHBBOOSKOANN-NDEPHWFRSA-N 1 0 583.154 3.911 1 0 KHAFRO CCCCCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O)cc2)C(C)C)cc1 ZINC000028895950 561979167 /nfs/dbraw/zinc/97/91/67/561979167.db2.gz UKVRCSULBYFPSJ-KVBYWJEESA-N 1 0 740.950 3.924 1 0 KHAFRO Cc1c(C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897899 561979373 /nfs/dbraw/zinc/97/93/73/561979373.db2.gz JXJFJFTVOXIPTM-UHFFFAOYSA-N 1 0 641.716 3.899 1 0 KHAFRO Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6C[NH2+]CCOC6)c45)ccc32)c1 ZINC000028901122 561979870 /nfs/dbraw/zinc/97/98/70/561979870.db2.gz QIHGEXNGPGTFID-HXUWFJFHSA-N 1 0 501.566 3.763 1 0 KHAFRO Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6C[NH2+]CCOC6)c45)ccc32)c1 ZINC000028901127 561979832 /nfs/dbraw/zinc/97/98/32/561979832.db2.gz QIHGEXNGPGTFID-FQEVSTJZSA-N 1 0 501.566 3.763 1 0 KHAFRO COc1cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1COC[C@@H]1C[NH2+]CCO1 ZINC000028901604 561980099 /nfs/dbraw/zinc/98/00/99/561980099.db2.gz RKYBUDCAJWXFQO-QFIPXVFZSA-N 1 0 517.565 3.524 1 0 KHAFRO CS(=O)(=O)CC[NH2+]C1CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1 ZINC000028903081 561980189 /nfs/dbraw/zinc/98/01/89/561980189.db2.gz XFUGKGRUXXJRJA-UHFFFAOYSA-N 1 0 576.702 3.609 1 0 KHAFRO COc1cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1CN1CCC[NH2+]CC1 ZINC000028903137 561980150 /nfs/dbraw/zinc/98/01/50/561980150.db2.gz YDACLKUOFPGAGO-UHFFFAOYSA-N 1 0 500.582 3.814 1 0 KHAFRO COc1cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1CN1CCC([NH3+])CC1 ZINC000028903142 561980170 /nfs/dbraw/zinc/98/01/70/561980170.db2.gz JKJHAFYDAMDTAT-UHFFFAOYSA-N 1 0 500.582 3.942 1 0 KHAFRO CC[C@H](C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1[C@H](C(=O)NCc2ccc(C(N)=[NH2+])cc2)C[C@@H]2CCCC[C@@H]21 ZINC000028903534 561980338 /nfs/dbraw/zinc/98/03/38/561980338.db2.gz QMAMAGHIGNATAS-MCNYKVIWSA-N 1 0 545.728 3.910 1 0 KHAFRO CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)NCc2ccc(C(N)=[NH2+])cc2)C[C@@H]2CCCC[C@@H]21 ZINC000028903565 561980339 /nfs/dbraw/zinc/98/03/39/561980339.db2.gz YLQKZIVJAWHAJO-DIMAQAOGSA-N 1 0 513.683 3.686 1 0 KHAFRO Cc1ccc(S(=O)(=O)Oc2cccc3c2C[C@H]2C[C@@H](C(=O)N4CCN(c5ccc6nsnc6n5)CC4)C[N@@H+](C)[C@@H]2C3)cc1 ZINC000028949880 561981030 /nfs/dbraw/zinc/98/10/30/561981030.db2.gz KQVZHKXGWOSRCW-AZSVPQILSA-N 1 0 618.785 3.546 1 0 KHAFRO CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])COC2)S(C)(=O)=O ZINC000028949960 561981087 /nfs/dbraw/zinc/98/10/87/561981087.db2.gz QQXBXYNIOWQZOP-XRKRLSELSA-N 1 0 521.683 3.976 1 0 KHAFRO CCCN(c1cc2cc(c1)C(=O)N[C@@H](CC)CCc1cccc(c1)C[C@@](C)([NH3+])COC2)S(C)(=O)=O ZINC000028950002 561981269 /nfs/dbraw/zinc/98/12/69/561981269.db2.gz XRUBSVZLJLTWKT-RPLLCQBOSA-N 1 0 501.693 3.794 1 0 KHAFRO CCCN(c1cc2cc(c1)C(=O)N[C@@H](C1CC1)CCc1cccc(c1)C[C@@](C)([NH3+])COC2)S(C)(=O)=O ZINC000028950025 561981187 /nfs/dbraw/zinc/98/11/87/561981187.db2.gz NAGDIXUWOKLFEY-IXCJQBJRSA-N 1 0 513.704 3.794 1 0 KHAFRO CCN(CC)C(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4[N@H+](C)C3)CC2)cc1 ZINC000028950381 561981343 /nfs/dbraw/zinc/98/13/43/561981343.db2.gz ONKYEMQRNDCNOT-INNMJMHTSA-N 1 0 518.702 3.561 1 0 KHAFRO CC[C@@H]1C[C@H](O)C[C@H](COC(=O)N2CCC([NH+]3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028950648 561981371 /nfs/dbraw/zinc/98/13/71/561981371.db2.gz ZAAVDSHTZRRHIN-MZYLBHOOSA-N 1 0 528.115 3.720 1 0 KHAFRO CC(C)(CO)[NH+]1CCN(C(=O)CC2([C@H]3CCC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028950686 561981440 /nfs/dbraw/zinc/98/14/40/561981440.db2.gz BTCOCIJZIJLOOZ-BJKOFHAPSA-N 1 0 538.154 3.747 1 0 KHAFRO Cc1ccc(C[NH2+]CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952329 561981791 /nfs/dbraw/zinc/98/17/91/561981791.db2.gz GYWKVWRKXAGCMG-QFIPXVFZSA-N 1 0 520.596 3.631 1 0 KHAFRO Cc1ccc(C[N@H+](C)C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952331 561981832 /nfs/dbraw/zinc/98/18/32/561981832.db2.gz PVLOUXXXZOSIQQ-QFIPXVFZSA-N 1 0 520.596 3.584 1 0 KHAFRO CCC(C)(C)NC(=O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000028952357 561981806 /nfs/dbraw/zinc/98/18/06/561981806.db2.gz MIDCFBUVBVHNTM-QFIPXVFZSA-N 1 0 520.596 3.631 1 0 KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c(C)c1 ZINC000028952370 561981815 /nfs/dbraw/zinc/98/18/15/561981815.db2.gz QAPFGTQCICZVMD-DEOSSOPVSA-N 1 0 532.607 3.776 1 0 KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2)c(C)c1 ZINC000028952372 561981897 /nfs/dbraw/zinc/98/18/97/561981897.db2.gz HTFCAKWNQNHBKJ-DEOSSOPVSA-N 1 0 526.559 3.965 1 0 KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c(C)c1 ZINC000028952374 561981929 /nfs/dbraw/zinc/98/19/29/561981929.db2.gz WBXYZOVCGSOHBB-VWLOTQADSA-N 1 0 540.586 3.643 1 0 KHAFRO Cc1cc(Br)ccc1C[NH2+]C[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C ZINC000028952406 561981915 /nfs/dbraw/zinc/98/19/15/561981915.db2.gz DSNRPHZPZPKEDF-FQEVSTJZSA-N 1 0 571.438 3.695 1 0 KHAFRO CCCCc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 ZINC000028952426 561981965 /nfs/dbraw/zinc/98/19/65/561981965.db2.gz GEXXJXMLWKZLIG-QHCPKHFHSA-N 1 0 534.623 3.967 1 0 KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952430 561982006 /nfs/dbraw/zinc/98/20/06/561982006.db2.gz RYKFYQRHNZLWBV-NRFANRHFSA-N 1 0 556.576 3.877 1 0 KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952433 561981991 /nfs/dbraw/zinc/98/19/91/561981991.db2.gz WECKWZIUSZAMKC-NRFANRHFSA-N 1 0 538.636 3.834 1 0 KHAFRO CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1C)C(=O)NC(C)(C)C ZINC000028952444 561982077 /nfs/dbraw/zinc/98/20/77/561982077.db2.gz ONYNFACZHHCTDA-QHCPKHFHSA-N 1 0 549.638 3.673 1 0 KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952452 561982081 /nfs/dbraw/zinc/98/20/81/561982081.db2.gz AWJUKDQERXTXHY-DEOSSOPVSA-N 1 0 606.690 3.771 1 0 KHAFRO CCNc1cc(C(=O)NCC(=O)N[C@@H](C[NH2+]Cc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 ZINC000028952458 561982051 /nfs/dbraw/zinc/98/20/51/561982051.db2.gz DSFQNRDBSSXAGS-QHCPKHFHSA-N 1 0 549.638 3.673 1 0 KHAFRO CCOC(=O)Nc1cc(C(=O)NCC(=O)N[C@@H](C[NH2+]Cc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 ZINC000028952464 561982107 /nfs/dbraw/zinc/98/21/07/561982107.db2.gz ZXYFWDUOJFDXFE-QHCPKHFHSA-N 1 0 593.647 3.810 1 0 KHAFRO CCCC[C@H]([NH3+])[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953533 561982294 /nfs/dbraw/zinc/98/22/94/561982294.db2.gz RKDSHPWKIYQWRO-CQOCVSQPSA-N 1 0 537.677 3.682 1 0 KHAFRO CCCC[C@H]([NH3+])[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953536 561982351 /nfs/dbraw/zinc/98/23/51/561982351.db2.gz RKDSHPWKIYQWRO-BWPZPKMVSA-N 1 0 537.677 3.682 1 0 KHAFRO CCCC[C@H]([NH3+])[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953538 561982296 /nfs/dbraw/zinc/98/22/96/561982296.db2.gz RKDSHPWKIYQWRO-AUUXCDECSA-N 1 0 537.677 3.682 1 0 KHAFRO C[C@@H]1C[C@@H]1CNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CCC(F)(F)F)cc(N(C)S(C)(=O)=O)n1 ZINC000028953571 561982524 /nfs/dbraw/zinc/98/25/24/561982524.db2.gz XVKYVWUBZDDZMH-DBOLQNLKSA-N 1 0 541.640 3.556 1 0 KHAFRO C[C@@H]1C[C@H]1CNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CCC(F)(F)F)cc(N(C)S(C)(=O)=O)n1 ZINC000028953574 561982484 /nfs/dbraw/zinc/98/24/84/561982484.db2.gz XVKYVWUBZDDZMH-SEVLPDGMSA-N 1 0 541.640 3.556 1 0 KHAFRO C[C@H]1C[C@H]1CNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CCC(F)(F)F)cc(N(C)S(C)(=O)=O)n1 ZINC000028953576 561982440 /nfs/dbraw/zinc/98/24/40/561982440.db2.gz XVKYVWUBZDDZMH-FIRPJDEBSA-N 1 0 541.640 3.556 1 0 KHAFRO CC(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953948 561982725 /nfs/dbraw/zinc/98/27/25/561982725.db2.gz SOVKLINKCSEJRT-IZLXSDGUSA-N 1 0 538.136 3.934 1 0 KHAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](CNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1 ZINC000028955898 561983028 /nfs/dbraw/zinc/98/30/28/561983028.db2.gz XVLHYYDPWZHOLN-IBGZPJMESA-N 1 0 513.063 3.932 1 0 KHAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](CNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1 ZINC000028955900 561983024 /nfs/dbraw/zinc/98/30/24/561983024.db2.gz XVLHYYDPWZHOLN-LJQANCHMSA-N 1 0 513.063 3.932 1 0 KHAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](CNS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1 ZINC000028955926 561983045 /nfs/dbraw/zinc/98/30/45/561983045.db2.gz FWUAARYYKDCMJP-KRWDZBQOSA-N 1 0 519.092 3.993 1 0 KHAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](CNS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1 ZINC000028955929 561983079 /nfs/dbraw/zinc/98/30/79/561983079.db2.gz FWUAARYYKDCMJP-QGZVFWFLSA-N 1 0 519.092 3.993 1 0 KHAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(Br)s2)C1 ZINC000028955932 561983056 /nfs/dbraw/zinc/98/30/56/561983056.db2.gz YEBAGUYJYNTFNJ-AAKUMTKESA-N 1 0 539.521 3.561 1 0 KHAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](CNS(=O)(=O)/C=C/c2ccc(Br)s2)C1 ZINC000028955935 561983032 /nfs/dbraw/zinc/98/30/32/561983032.db2.gz YEBAGUYJYNTFNJ-LEHPZIBWSA-N 1 0 539.521 3.561 1 0 KHAFRO CCOP(=O)(OCC)c1ccc(NC(=O)[C@@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 ZINC000028957977 561983420 /nfs/dbraw/zinc/98/34/20/561983420.db2.gz IJWRYRBQCVSBIF-YTMVLYRLSA-N 1 0 635.676 3.841 1 0 KHAFRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)CCc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958019 561983433 /nfs/dbraw/zinc/98/34/33/561983433.db2.gz GRYVQQPLMUEFCQ-DHIUTWEWSA-N 1 0 514.644 3.648 1 0 KHAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C(C)(C)C(=O)N2 ZINC000028958027 561983449 /nfs/dbraw/zinc/98/34/49/561983449.db2.gz ZULQWWYGPITKAW-FQEVSTJZSA-N 1 0 518.614 3.553 1 0 KHAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CCC1)C(=O)N2 ZINC000028958055 561983555 /nfs/dbraw/zinc/98/35/55/561983555.db2.gz JQUOELSYHOYPCB-NRFANRHFSA-N 1 0 530.625 3.697 1 0 KHAFRO COc1ccc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958091 561983559 /nfs/dbraw/zinc/98/35/59/561983559.db2.gz GCASOKRZCWLCMD-RBBKRZOGSA-N 1 0 535.062 3.911 1 0 KHAFRO COc1ccc([C@@H](Cc2cccc(Cl)c2)[NH2+]C[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958094 561983524 /nfs/dbraw/zinc/98/35/24/561983524.db2.gz GSLYWIZUKZKVPL-FCHUYYIVSA-N 1 0 535.062 3.911 1 0 KHAFRO COc1ccc([C@@H](Cc2ccc(Cl)cc2)[NH2+]C[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958096 561983573 /nfs/dbraw/zinc/98/35/73/561983573.db2.gz PEGINHFZHPLROG-FCHUYYIVSA-N 1 0 535.062 3.911 1 0 KHAFRO COc1ccc([C@H](CCc2ccccc2)[NH2+]C[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958126 561983535 /nfs/dbraw/zinc/98/35/35/561983535.db2.gz MXPUBPBHIUDTJX-PKTZIBPZSA-N 1 0 514.644 3.648 1 0 KHAFRO C[NH+](C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1 ZINC000028959511 561983784 /nfs/dbraw/zinc/98/37/84/561983784.db2.gz YFVYFDBYGVJKHF-UHFFFAOYSA-N 1 0 521.581 3.626 1 0 KHAFRO CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(=O)CCCCC[NH3+])c1)c(OC(C)=O)c2=O ZINC000028966512 561985264 /nfs/dbraw/zinc/98/52/64/561985264.db2.gz AATMUTPGHAYNPV-UHFFFAOYSA-N 1 0 583.546 3.586 1 0 KHAFRO COc1ccc(C[C@H]2c3nnc(C(F)(F)F)n3CCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000028967916 561985396 /nfs/dbraw/zinc/98/53/96/561985396.db2.gz HLRKUFDGYOQJCU-QRWLVFNGSA-N 1 0 527.469 3.809 1 0 KHAFRO COc1ccc(C[C@@H]2c3nnc(C(F)(F)F)n3CCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000028967922 561985373 /nfs/dbraw/zinc/98/53/73/561985373.db2.gz HLRKUFDGYOQJCU-FOIQADDNSA-N 1 0 527.469 3.809 1 0 KHAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCS(=O)(=O)c2ccccc2)c1 ZINC000028968546 561985613 /nfs/dbraw/zinc/98/56/13/561985613.db2.gz UQJVWEWEJOEPTN-WUFINQPMSA-N 1 0 524.683 3.517 1 0 KHAFRO CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1 ZINC000028968588 561985654 /nfs/dbraw/zinc/98/56/54/561985654.db2.gz MPGYFTYRJCOSLV-RRPNLBNLSA-N 1 0 518.720 3.647 1 0 KHAFRO COCC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975283 561986439 /nfs/dbraw/zinc/98/64/39/561986439.db2.gz KAJGDDHQBLSIIE-WMTXJRDZSA-N 1 0 559.708 3.733 1 0 KHAFRO CNC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975294 561986471 /nfs/dbraw/zinc/98/64/71/561986471.db2.gz TXFKRSLQBDPWHK-QZNHQXDQSA-N 1 0 544.697 3.899 1 0 KHAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975327 561986461 /nfs/dbraw/zinc/98/64/61/561986461.db2.gz UWCQUWYSAPGJBW-JBRSBNLGSA-N 1 0 572.751 3.648 1 0 KHAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CCO)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975351 561986478 /nfs/dbraw/zinc/98/64/78/561986478.db2.gz OCOUSFGWGHCEPX-WPFOTENUSA-N 1 0 531.698 3.552 1 0 KHAFRO COCC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975394 561986572 /nfs/dbraw/zinc/98/65/72/561986572.db2.gz IWCDKJNLRKTQFJ-WPFOTENUSA-N 1 0 559.708 3.733 1 0 KHAFRO CNC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975406 561986528 /nfs/dbraw/zinc/98/65/28/561986528.db2.gz AYMZHWSWFBAEIT-QNWVGRARSA-N 1 0 544.697 3.899 1 0 KHAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(CC(=O)N(C)C)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975439 561986641 /nfs/dbraw/zinc/98/66/41/561986641.db2.gz XKTJOAIQIBMZJU-SONWIMMPSA-N 1 0 572.751 3.648 1 0 KHAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(CCO)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975460 561986648 /nfs/dbraw/zinc/98/66/48/561986648.db2.gz FQLXRHMQZQJNRK-WPFOTENUSA-N 1 0 531.698 3.552 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)COCC(C)C)cc(N2CCCC2=O)c1 ZINC000028978412 561987812 /nfs/dbraw/zinc/98/78/12/561987812.db2.gz DXLLAPMROUKAHN-WUFINQPMSA-N 1 0 538.733 3.988 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCC2=O)c1 ZINC000028978417 561987863 /nfs/dbraw/zinc/98/78/63/561987863.db2.gz ANZORHSSNYTZOP-URLMMPGGSA-N 1 0 530.669 3.746 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2ccccc2)cc(N2CCCC2=O)c1 ZINC000028978423 561987844 /nfs/dbraw/zinc/98/78/44/561987844.db2.gz QJHJEVHSBAUDFK-WUFINQPMSA-N 1 0 500.643 3.737 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2ccccc2OC)cc(N2CCCC2=O)c1 ZINC000028978429 561987830 /nfs/dbraw/zinc/98/78/30/561987830.db2.gz PTIGXNFGODXOBH-WUFINQPMSA-N 1 0 530.669 3.746 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2ccc(OC)cc2)cc(N2CCCC2=O)c1 ZINC000028978434 561987825 /nfs/dbraw/zinc/98/78/25/561987825.db2.gz VPCVRIRYKSQLQR-URLMMPGGSA-N 1 0 530.669 3.746 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCc2ccccc2)cc(N2CCCC2=O)c1 ZINC000028978442 561987843 /nfs/dbraw/zinc/98/78/43/561987843.db2.gz SRVJEHDGKSXUGW-URLMMPGGSA-N 1 0 514.670 3.780 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cc(OC)cc(OC)c2)cc(N2CCCC2=O)c1 ZINC000028978597 561987859 /nfs/dbraw/zinc/98/78/59/561987859.db2.gz YREYFYQYLVEDKG-XZWHSSHBSA-N 1 0 560.695 3.754 1 0 KHAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](CC(C)C)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037418 561988561 /nfs/dbraw/zinc/98/85/61/561988561.db2.gz BKBCKCGJQYFJJC-YYSPBGNDSA-N 1 0 624.804 3.877 1 0 KHAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](C)c3nc(C)oc3C)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037425 561988522 /nfs/dbraw/zinc/98/85/22/561988522.db2.gz ZVXULOKJHBSMDK-IBJFMNDQSA-N 1 0 677.824 3.679 1 0 KHAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3nc(C)oc3C)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037427 561988526 /nfs/dbraw/zinc/98/85/26/561988526.db2.gz ZVXULOKJHBSMDK-RXMJOPNQSA-N 1 0 677.824 3.679 1 0 KHAFRO Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000029038364 561988776 /nfs/dbraw/zinc/98/87/76/561988776.db2.gz KVPNOQAXVUMKFJ-UHFFFAOYSA-N 1 0 547.504 3.747 1 0 KHAFRO CC[C@@H]1CCC[C@H](C2(CC(=O)N3CC[NH+](C(C)(C)CO)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029038532 561989027 /nfs/dbraw/zinc/98/90/27/561989027.db2.gz DORVKDBVLHMAPQ-FYYLOGMGSA-N 1 0 526.143 3.747 1 0 KHAFRO COCC[N@@H+]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038678 561989134 /nfs/dbraw/zinc/98/91/34/561989134.db2.gz PMQOXWUBJSYNHV-KKLQWCBXSA-N 1 0 538.490 3.651 1 0 KHAFRO C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038760 561989349 /nfs/dbraw/zinc/98/93/49/561989349.db2.gz GZFMZJDVLOZLLL-OMXJDXKCSA-N 1 0 535.446 3.775 1 0 KHAFRO C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c43)C[C@H]21 ZINC000029038763 561989288 /nfs/dbraw/zinc/98/92/88/561989288.db2.gz APMKIUAVCAZQDA-AKCHCHLHSA-N 1 0 508.051 3.530 1 0 KHAFRO C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038765 561989293 /nfs/dbraw/zinc/98/92/93/561989293.db2.gz OMAJOZIPAPZWEL-AKCHCHLHSA-N 1 0 552.502 3.639 1 0 KHAFRO C[N@@H+]1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]21 ZINC000029038767 561989316 /nfs/dbraw/zinc/98/93/16/561989316.db2.gz GZFMZJDVLOZLLL-WIRVKHDMSA-N 1 0 535.446 3.775 1 0 KHAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cccc(-c2c(C)cccc2NC(=O)CS(C)(=O)=O)c1 ZINC000029038848 561989261 /nfs/dbraw/zinc/98/92/61/561989261.db2.gz YXZFTTDBDFNQJY-UHFFFAOYSA-N 1 0 537.710 3.545 1 0 KHAFRO CCC[N@H+](CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(-c2nnnn2C)c1 ZINC000029039069 561989516 /nfs/dbraw/zinc/98/95/16/561989516.db2.gz MUBGPUBCDUZPSB-CLOONOSVSA-N 1 0 511.646 3.794 1 0 KHAFRO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@H+](CCCc2ccc(F)cc2)C2CC2)cc(-c2nnnn2C)c1 ZINC000029039071 561989522 /nfs/dbraw/zinc/98/95/22/561989522.db2.gz JEWWLECKWFDBAS-CJAUYULYSA-N 1 0 509.630 3.547 1 0 KHAFRO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@H+](CCCc2ccc(F)cc2)CC2CC2)cc(-c2nnnn2C)c1 ZINC000029039076 561989466 /nfs/dbraw/zinc/98/94/66/561989466.db2.gz JBSFMYIPFYTPEY-BCHFMIIMSA-N 1 0 523.657 3.794 1 0 KHAFRO CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039378 561989818 /nfs/dbraw/zinc/98/98/18/561989818.db2.gz NEOAJOOTBMVTDG-QQNWGBJXSA-N 1 0 607.192 3.721 1 0 KHAFRO CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039380 561989875 /nfs/dbraw/zinc/98/98/75/561989875.db2.gz NEOAJOOTBMVTDG-OARDWFSCSA-N 1 0 607.192 3.721 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2ccccc2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039606 561990036 /nfs/dbraw/zinc/99/00/36/561990036.db2.gz WUYOJSGIKRCAKP-URLMMPGGSA-N 1 0 550.725 3.540 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039616 561990031 /nfs/dbraw/zinc/99/00/31/561990031.db2.gz SHIKCAICRTZTAO-XZWHSSHBSA-N 1 0 580.751 3.549 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039618 561990131 /nfs/dbraw/zinc/99/01/31/561990131.db2.gz OYRJVJLVRLQYHL-XZWHSSHBSA-N 1 0 616.731 3.827 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000029039632 561990123 /nfs/dbraw/zinc/99/01/23/561990123.db2.gz UGVUREZIOUDVMM-LMSSTIIKSA-N 1 0 598.741 3.688 1 0 KHAFRO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CC)[C@@H](C)CCc2ccc(F)cc2)cc(-c2nnnn2C)c1 ZINC000029039907 561990204 /nfs/dbraw/zinc/99/02/04/561990204.db2.gz JRJPTAPFBNEIPL-CEYNDMKZSA-N 1 0 511.646 3.793 1 0 KHAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12 ZINC000029040558 561990648 /nfs/dbraw/zinc/99/06/48/561990648.db2.gz XVHNAGNSEXZDNC-UHFFFAOYSA-N 1 0 522.556 3.987 1 0 KHAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cccs4)cc3F)c12 ZINC000029040578 561990642 /nfs/dbraw/zinc/99/06/42/561990642.db2.gz GWJJSPXDFYUKDS-UHFFFAOYSA-N 1 0 510.595 3.909 1 0 KHAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12 ZINC000029040592 561990682 /nfs/dbraw/zinc/99/06/82/561990682.db2.gz IAVWXGZIULVTLN-UHFFFAOYSA-N 1 0 579.608 3.702 1 0 KHAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 ZINC000029040604 561990796 /nfs/dbraw/zinc/99/07/96/561990796.db2.gz JGKKVHUMEAYNGF-UHFFFAOYSA-N 1 0 579.608 3.625 1 0 KHAFRO Cc1c(OCC[NH+](C)C)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 ZINC000029040606 561990731 /nfs/dbraw/zinc/99/07/31/561990731.db2.gz XBLYKDYWBVOKLN-UHFFFAOYSA-N 1 0 524.528 3.939 1 0 KHAFRO O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(C[NH+]4CCC(O)CC4)c23)c(F)c1 ZINC000029040631 561990778 /nfs/dbraw/zinc/99/07/78/561990778.db2.gz PEXLOCWUDPQMOT-UHFFFAOYSA-N 1 0 536.539 3.647 1 0 KHAFRO CC(=O)NC1CC[NH+](Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1 ZINC000029040633 561990740 /nfs/dbraw/zinc/99/07/40/561990740.db2.gz JTZCINZNRFOJCN-UHFFFAOYSA-N 1 0 577.592 3.791 1 0 KHAFRO O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CNC4CC[NH2+]CC4)c23)c(F)c1 ZINC000029040635 561990808 /nfs/dbraw/zinc/99/08/08/561990808.db2.gz YMVDFYNERAZVFU-UHFFFAOYSA-N 1 0 535.555 3.532 1 0 KHAFRO Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3S(C)(=O)=O)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041112 561990969 /nfs/dbraw/zinc/99/09/69/561990969.db2.gz IQJKZHROPQTKSJ-ZSQFBXSQSA-N 1 0 533.138 3.771 1 0 KHAFRO COc1cc2c(cnnc2Nc2cnn(CC(=O)Nc3cccc(F)c3F)c2)cc1OCCC[N@@H+]1CCC[C@@H]1CO ZINC000029041233 561991099 /nfs/dbraw/zinc/99/10/99/561991099.db2.gz QXESBEALAMPJGW-HXUWFJFHSA-N 1 0 567.597 3.721 1 0 KHAFRO CC[N@H+](CCO)CCCOc1cc2cnnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC ZINC000029041235 561991170 /nfs/dbraw/zinc/99/11/70/561991170.db2.gz DBCJGJODGKBPQO-UHFFFAOYSA-N 1 0 555.586 3.579 1 0 KHAFRO COc1cc2c(cnnc2Nc2cnn(CC(=O)Nc3cccc(F)c3)c2)cc1OCCC[N@@H+]1CCC[C@@H]1CO ZINC000029041237 561991156 /nfs/dbraw/zinc/99/11/56/561991156.db2.gz IQCOBHZLLQYSRZ-HSZRJFAPSA-N 1 0 549.607 3.582 1 0 KHAFRO O=C(Cn1cc(Nc2nncc3cc(OCCC[N@H+]4CCC[C@@H]4CO)ccc32)cn1)Nc1cccc(F)c1 ZINC000029041242 561991183 /nfs/dbraw/zinc/99/11/83/561991183.db2.gz GUQQPYZGQOCZDO-HSZRJFAPSA-N 1 0 519.581 3.573 1 0 KHAFRO O=C(Cn1cc(Nc2nncc3cc(OCCC[N@H+]4CCC[C@@H]4CO)ccc32)cn1)Nc1cccc(F)c1F ZINC000029041244 561991129 /nfs/dbraw/zinc/99/11/29/561991129.db2.gz NZUICIGFUCOURS-HXUWFJFHSA-N 1 0 537.571 3.712 1 0 KHAFRO COc1cc2[nH+]c(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ccc(F)cc2)c1OC ZINC000029042053 561991355 /nfs/dbraw/zinc/99/13/55/561991355.db2.gz IHSGHTLNHSMKII-UHFFFAOYSA-N 1 0 509.582 3.605 1 0 KHAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2)c1 ZINC000029048404 561993585 /nfs/dbraw/zinc/99/35/85/561993585.db2.gz OJFPQOAVNHLJCK-HZFUHODCSA-N 1 0 583.655 3.543 1 0 KHAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3C(F)(F)F)C(=O)N2)c1 ZINC000029048499 561993523 /nfs/dbraw/zinc/99/35/23/561993523.db2.gz IQKLZHGBNUDGHR-HZFUHODCSA-N 1 0 583.655 3.543 1 0 KHAFRO CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(N5CC[NH+](C)CC5)c4)ccc3C)c2c1C ZINC000029049277 561993998 /nfs/dbraw/zinc/99/39/98/561993998.db2.gz RGIUJLBCWXOSRA-UHFFFAOYSA-N 1 0 526.645 3.844 1 0 KHAFRO Cc1c(C(=O)NCC[NH+](C)C)cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c12 ZINC000029050323 561994212 /nfs/dbraw/zinc/99/42/12/561994212.db2.gz IPBUHLYEPFERFR-UHFFFAOYSA-N 1 0 574.661 3.609 1 0 KHAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 ZINC000029050577 561994245 /nfs/dbraw/zinc/99/42/45/561994245.db2.gz DIVOTBMEMUKMAL-YTCPBCGMSA-N 1 0 550.650 3.860 1 0 KHAFRO CC(C)=CCN([C@H]1C[NH2+]C[C@@H]1N(CC=C(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000029055890 561995032 /nfs/dbraw/zinc/99/50/32/561995032.db2.gz SATHCWWLAFWTJM-UIOOFZCWSA-N 1 0 517.717 3.641 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000029062678 561996068 /nfs/dbraw/zinc/99/60/68/561996068.db2.gz LKMAEHUMCHTBER-XCZPVHLTSA-N 1 0 523.637 3.539 1 0 in-vivo KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000029062903 561996206 /nfs/dbraw/zinc/99/62/06/561996206.db2.gz AWMRTINMSUQIBM-ZCYQVOJMSA-N 1 0 514.651 3.758 1 0 in-vivo KHAFRO COc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1 ZINC000029064434 561996266 /nfs/dbraw/zinc/99/62/66/561996266.db2.gz GMMMLQZLHXIAPP-UHFFFAOYSA-N 1 0 529.616 3.752 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000029064451 561996399 /nfs/dbraw/zinc/99/63/99/561996399.db2.gz JZZFOTMVZCOMSO-UHFFFAOYSA-N 1 0 529.616 3.752 1 0 KHAFRO O=C(CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123075 561996480 /nfs/dbraw/zinc/99/64/80/561996480.db2.gz LNEWMIODYAFAIT-UHFFFAOYSA-N 1 0 502.018 3.868 1 0 KHAFRO Cc1cccc(C)c1N1CC[NH+](CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000029123099 561996445 /nfs/dbraw/zinc/99/64/45/561996445.db2.gz DVCYXBBFWGNNGR-UHFFFAOYSA-N 1 0 513.617 3.970 1 0 KHAFRO Cc1ccc(N2CC[NH+](CCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)CC2)c(C)c1 ZINC000029123122 561996467 /nfs/dbraw/zinc/99/64/67/561996467.db2.gz WLFCVMYQWQGLGG-UHFFFAOYSA-N 1 0 513.617 3.970 1 0 KHAFRO COc1ccc(-n2c(CNC(=O)CCC[NH+]3CCN(c4ccccc4OC)CC3)nc3ccc(F)cc3c2=O)cc1 ZINC000029123152 561996438 /nfs/dbraw/zinc/99/64/38/561996438.db2.gz ZZBDQCGTSJPVIH-UHFFFAOYSA-N 1 0 559.642 3.761 1 0 KHAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123190 561996586 /nfs/dbraw/zinc/99/65/86/561996586.db2.gz RIUGVYAAJDXKQH-UHFFFAOYSA-N 1 0 517.580 3.883 1 0 KHAFRO O=C(CCC[NH+]1CCN(c2ccccc2F)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123191 561996573 /nfs/dbraw/zinc/99/65/73/561996573.db2.gz OSLAODHMSMMGIP-UHFFFAOYSA-N 1 0 517.580 3.883 1 0 KHAFRO COc1ccc(-n2c(CNC(=O)CCC[NH+]3CCN(c4ccccc4OC)CC3)nc3ccccc3c2=O)cc1 ZINC000029123227 561996542 /nfs/dbraw/zinc/99/65/42/561996542.db2.gz NTLZBEVDLLOUIT-UHFFFAOYSA-N 1 0 541.652 3.622 1 0 KHAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123230 561996578 /nfs/dbraw/zinc/99/65/78/561996578.db2.gz CFPULVGAXYOLEJ-UHFFFAOYSA-N 1 0 517.580 3.883 1 0 KHAFRO O=C(CCC[NH+]1CCN(c2ccccc2F)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123269 561996549 /nfs/dbraw/zinc/99/65/49/561996549.db2.gz MBXJBQIDVNTIFX-UHFFFAOYSA-N 1 0 517.580 3.883 1 0 KHAFRO COc1cccc(-n2c(CNC(=O)CCC[NH+]3CCN(c4ccccc4OC)CC3)nc3ccc(F)cc3c2=O)c1 ZINC000029123301 561996729 /nfs/dbraw/zinc/99/67/29/561996729.db2.gz DHNJJWILPRYUES-UHFFFAOYSA-N 1 0 559.642 3.761 1 0 KHAFRO COc1cccc(N2CC[NH+](CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123338 561996722 /nfs/dbraw/zinc/99/67/22/561996722.db2.gz OCUZQZTXFPPQEB-UHFFFAOYSA-N 1 0 511.626 3.613 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 ZINC000029123339 561996762 /nfs/dbraw/zinc/99/67/62/561996762.db2.gz GRNKXTVUQCOUIS-UHFFFAOYSA-N 1 0 511.626 3.613 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 ZINC000029123340 561996759 /nfs/dbraw/zinc/99/67/59/561996759.db2.gz ZMQZCUIPVCGSQD-UHFFFAOYSA-N 1 0 511.626 3.613 1 0 KHAFRO COc1cccc(-n2c(CNC(=O)CCC[NH+]3CCN(c4ccccc4OC)CC3)nc3ccccc3c2=O)c1 ZINC000029123374 561996754 /nfs/dbraw/zinc/99/67/54/561996754.db2.gz WUSUDORTUZINRA-UHFFFAOYSA-N 1 0 541.652 3.622 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1 ZINC000029123478 561996829 /nfs/dbraw/zinc/99/68/29/561996829.db2.gz QPWKDTOBYIPWAW-UHFFFAOYSA-N 1 0 559.642 3.761 1 0 KHAFRO COc1cccc(N2CC[NH+](CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123482 561996863 /nfs/dbraw/zinc/99/68/63/561996863.db2.gz IFFVPSFNFYNSFQ-UHFFFAOYSA-N 1 0 529.616 3.752 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1 ZINC000029123487 561996825 /nfs/dbraw/zinc/99/68/25/561996825.db2.gz MQLHYMHUQCHUNA-UHFFFAOYSA-N 1 0 529.616 3.752 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1 ZINC000029123554 561996784 /nfs/dbraw/zinc/99/67/84/561996784.db2.gz JOOWHUOUYYERSK-UHFFFAOYSA-N 1 0 541.652 3.622 1 0 KHAFRO COc1cccc(N2CC[NH+](CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123738 561996990 /nfs/dbraw/zinc/99/69/90/561996990.db2.gz DJYYNXXDNBRVTR-UHFFFAOYSA-N 1 0 529.616 3.752 1 0 KHAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]Cc2ccccc2F)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029124984 561997222 /nfs/dbraw/zinc/99/72/22/561997222.db2.gz LSIQYAKQGGPYFD-JXBHIWAZSA-N 1 0 559.602 3.618 1 0 KHAFRO CC(C)C[C@H](NC(=O)C1CC[NH2+]CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000029125010 561997242 /nfs/dbraw/zinc/99/72/42/561997242.db2.gz GDMSYEKYXAWLNM-ZEQRLZLVSA-N 1 0 504.631 3.659 1 0 KHAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)C(=O)c1nc2ccccc2s1 ZINC000029125154 561997336 /nfs/dbraw/zinc/99/73/36/561997336.db2.gz LZIQKKGKSQRLJR-GGAORHGYSA-N 1 0 506.672 3.964 1 0 KHAFRO [NH3+]CCCC[C@H](NC(=O)[C@H]1CCCN(C(=O)CCc2ccccc2)C1)C(=O)c1nc2ccccc2s1 ZINC000029125156 561997368 /nfs/dbraw/zinc/99/73/68/561997368.db2.gz LZIQKKGKSQRLJR-GMAHTHKFSA-N 1 0 506.672 3.964 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000029125556 561997695 /nfs/dbraw/zinc/99/76/95/561997695.db2.gz LLSMVIKCWLJOBO-SDHOMARFSA-N 1 0 689.670 3.632 1 0 KHAFRO CN(CC[NH+](C)C)C(=O)CN([C@@H]1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125781 561997932 /nfs/dbraw/zinc/99/79/32/561997932.db2.gz XFPYFZSONUSAQK-SSEXGKCCSA-N 1 0 668.191 3.990 1 0 KHAFRO CN(CC[NH+](C)C)C(=O)CN([C@H]1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125782 561997966 /nfs/dbraw/zinc/99/79/66/561997966.db2.gz XFPYFZSONUSAQK-PMERELPUSA-N 1 0 668.191 3.990 1 0 KHAFRO C[C@]12C[C@@H](Cc3ccc4nc(C(F)(F)F)ccc4c3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)CS2 ZINC000029126107 561998464 /nfs/dbraw/zinc/99/84/64/561998464.db2.gz ZTCPVKBJBNQNHD-LZNJQUHISA-N 1 0 647.749 3.954 1 0 KHAFRO C[C@]12C[C@@H](Cc3ccccc3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc3ccccc3s1)CS2 ZINC000029126349 561998559 /nfs/dbraw/zinc/99/85/59/561998559.db2.gz OFPGXCBWRBIHGW-GKHSXJPSSA-N 1 0 578.764 3.540 1 0 KHAFRO COC[C@H]1O[C@@H](n2cnc3c2nc(CC[NH2+]C2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029127057 561999366 /nfs/dbraw/zinc/99/93/66/561999366.db2.gz ZLTQPWYNPZMERV-FTBITJBVSA-N 1 0 586.737 3.801 1 0 KHAFRO COC[C@H]1O[C@@H](n2cnc3c2nc(C[NH2+]C2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029127058 561999399 /nfs/dbraw/zinc/99/93/99/561999399.db2.gz OGOQNRBUNPPPHS-FANUBLADSA-N 1 0 572.710 3.758 1 0 KHAFRO CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(Br)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127110 561999385 /nfs/dbraw/zinc/99/93/85/561999385.db2.gz YKMOBUHXIJLMQE-HHHXNRCGSA-N 1 0 533.402 3.568 1 0 KHAFRO CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(Br)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127111 561999534 /nfs/dbraw/zinc/99/95/34/561999534.db2.gz YKMOBUHXIJLMQE-MHZLTWQESA-N 1 0 533.402 3.568 1 0 KHAFRO CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(Cl)c(F)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127113 561999528 /nfs/dbraw/zinc/99/95/28/561999528.db2.gz FDIGJIDRKWPENS-HHHXNRCGSA-N 1 0 506.941 3.598 1 0 KHAFRO CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(Cl)c(F)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127114 561999498 /nfs/dbraw/zinc/99/94/98/561999498.db2.gz FDIGJIDRKWPENS-MHZLTWQESA-N 1 0 506.941 3.598 1 0 KHAFRO CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(Cl)c(C)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127207 561999638 /nfs/dbraw/zinc/99/96/38/561999638.db2.gz YEAVAOGNCCJRLI-MUUNZHRXSA-N 1 0 502.978 3.767 1 0 KHAFRO CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(Cl)c(C)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127208 561999655 /nfs/dbraw/zinc/99/96/55/561999655.db2.gz YEAVAOGNCCJRLI-NDEPHWFRSA-N 1 0 502.978 3.767 1 0 KHAFRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C[NH2+]CCO)C2)cc1 ZINC000029127635 562000090 /nfs/dbraw/zinc/00/00/90/562000090.db2.gz RUNFOMITFPZXBV-LJAQVGFWSA-N 1 0 538.689 3.911 1 0 KHAFRO Nc1ccccc1NC(=O)c1ccc(CNc2nc(NCCN3CCOCC3)nc(NC3Cc4ccccc4C3)[nH+]2)cc1 ZINC000029127730 562000160 /nfs/dbraw/zinc/00/01/60/562000160.db2.gz XPFFRJLMCUESRV-UHFFFAOYSA-N 1 0 579.709 3.642 1 0 KHAFRO CC(C)c1c(-c2nnc(OC3CC[NH2+]CC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127779 562000269 /nfs/dbraw/zinc/00/02/69/562000269.db2.gz AIAKFZWQGGMPFJ-UHFFFAOYSA-N 1 0 538.559 3.948 1 0 KHAFRO CC(C)c1c(-c2nnc(O[C@H]3CC[NH2+]C3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127818 562000342 /nfs/dbraw/zinc/00/03/42/562000342.db2.gz WICCBBOVLJSUTQ-AWEZNQCLSA-N 1 0 524.532 3.557 1 0 KHAFRO CC(C)C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)[C@H](C)CNC5=O)n2)CC1 ZINC000029127868 562000330 /nfs/dbraw/zinc/00/03/30/562000330.db2.gz QLMOSLLPTJWRHG-MRXNPFEDSA-N 1 0 508.648 3.505 1 0 KHAFRO CC(C)C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)[C@@H](C)CNC5=O)n2)CC1 ZINC000029127869 562000319 /nfs/dbraw/zinc/00/03/19/562000319.db2.gz QLMOSLLPTJWRHG-INIZCTEOSA-N 1 0 508.648 3.505 1 0 KHAFRO C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CC[NH+](CC(C)(C)C)CC5)cs4)cc3n21 ZINC000029127870 562000339 /nfs/dbraw/zinc/00/03/39/562000339.db2.gz GXDHJMHFSCNYBN-MRXNPFEDSA-N 1 0 522.675 3.895 1 0 KHAFRO C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CC[NH+](CC(C)(C)C)CC5)cs4)cc3n21 ZINC000029127871 562000328 /nfs/dbraw/zinc/00/03/28/562000328.db2.gz GXDHJMHFSCNYBN-INIZCTEOSA-N 1 0 522.675 3.895 1 0 KHAFRO CC(C)c1c(-c2nnc(OC[C@@H](C)[NH3+])o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127872 562000320 /nfs/dbraw/zinc/00/03/20/562000320.db2.gz NXJWRSVRPJAYKF-GFCCVEGCSA-N 1 0 512.521 3.543 1 0 KHAFRO CC(C)c1c(-c2nnc(OC[C@H](C)[NH3+])o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127873 562000317 /nfs/dbraw/zinc/00/03/17/562000317.db2.gz NXJWRSVRPJAYKF-LBPRGKRZSA-N 1 0 512.521 3.543 1 0 KHAFRO CC(C)c1c(-c2nnc(N3CCC([NH3+])CC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127923 562000335 /nfs/dbraw/zinc/00/03/35/562000335.db2.gz NLNSEABQNGLUMD-UHFFFAOYSA-N 1 0 537.575 3.744 1 0 KHAFRO CC(C)c1c(-c2nnc(NCCCC[NH3+])o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127927 562000316 /nfs/dbraw/zinc/00/03/16/562000316.db2.gz ZWBUEQUTXFJDFT-UHFFFAOYSA-N 1 0 525.564 3.968 1 0 KHAFRO C[NH2+]CCCNc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NC5CC5)c(F)cc4F)c3c2C(C)C)o1 ZINC000029127972 562000502 /nfs/dbraw/zinc/00/05/02/562000502.db2.gz YXVBGKJDCKGSED-UHFFFAOYSA-N 1 0 525.564 3.838 1 0 KHAFRO CC(C)c1c(-c2nnc(NCCC[NH3+])o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127974 562000446 /nfs/dbraw/zinc/00/04/46/562000446.db2.gz GOZLZTGPYFRJDJ-UHFFFAOYSA-N 1 0 511.537 3.577 1 0 KHAFRO CC(C)c1c(-c2nnc(NCC(C)(C)[NH3+])o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029128031 562000460 /nfs/dbraw/zinc/00/04/60/562000460.db2.gz YTYBFVQRVOHAAA-UHFFFAOYSA-N 1 0 525.564 3.966 1 0 KHAFRO CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029128163 562000532 /nfs/dbraw/zinc/00/05/32/562000532.db2.gz WQAFOQHZNVQHFW-KEPSJGTLSA-N 1 0 562.755 3.895 1 0 KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2CCCC2)cc(N2CCCC2=O)c1)C(=O)NC1CCCCC1 ZINC000029128166 562000619 /nfs/dbraw/zinc/00/06/19/562000619.db2.gz JMVWEZMBTQMNME-RJSONGRPSA-N 1 0 589.781 3.543 1 0 KHAFRO CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029128224 562000705 /nfs/dbraw/zinc/00/07/05/562000705.db2.gz SNDQIKFTGSEGEF-KEPSJGTLSA-N 1 0 577.770 3.763 1 0 KHAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2)c1 ZINC000029128286 562000737 /nfs/dbraw/zinc/00/07/37/562000737.db2.gz HVFZUMJBEDTECP-KEPSJGTLSA-N 1 0 550.744 3.815 1 0 KHAFRO CCCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029128287 562000702 /nfs/dbraw/zinc/00/07/02/562000702.db2.gz NFJZOPIVPQPDRI-KEPSJGTLSA-N 1 0 578.754 3.731 1 0 KHAFRO CC(C)Oc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029128348 562000853 /nfs/dbraw/zinc/00/08/53/562000853.db2.gz AFLKXDWNKYXERG-KEPSJGTLSA-N 1 0 578.754 3.730 1 0 KHAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000029128512 562000980 /nfs/dbraw/zinc/00/09/80/562000980.db2.gz IQDCIRJRTXUGDV-JVYGEBFASA-N 1 0 531.644 3.614 1 0 KHAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000029128514 562001012 /nfs/dbraw/zinc/00/10/12/562001012.db2.gz QOXKSOYSLISNQZ-UODIDJSMSA-N 1 0 501.618 3.989 1 0 KHAFRO C[NH+]1CCN(CCCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 ZINC000029128547 562000963 /nfs/dbraw/zinc/00/09/63/562000963.db2.gz BERLNDGSHCXVKP-UHFFFAOYSA-N 1 0 509.014 3.740 1 0 KHAFRO OC1CC[NH+](CCCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 ZINC000029128599 562001030 /nfs/dbraw/zinc/00/10/30/562001030.db2.gz YJELZTGEMAQGHU-UHFFFAOYSA-N 1 0 509.998 3.950 1 0 KHAFRO COc1cc(Nc2ncnc3[nH]nc(OCC[NH+]4CCC(O)CC4)c32)ccc1OCc1cccc(F)c1 ZINC000029128866 562001234 /nfs/dbraw/zinc/00/12/34/562001234.db2.gz PXOQNEQRSUORAM-UHFFFAOYSA-N 1 0 508.554 3.659 1 0 KHAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OC(C)=O)CC[NH2+]2)c1 ZINC000029128883 562001290 /nfs/dbraw/zinc/00/12/90/562001290.db2.gz MORGCTFWWMNIEY-ICYKMPLBSA-N 1 0 573.681 3.921 1 0 KHAFRO CCCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)[C@H](C2CC2)C1=O ZINC000029129160 562001694 /nfs/dbraw/zinc/00/16/94/562001694.db2.gz HHFXRPPCGYBTGG-FNBYOJNGSA-N 1 0 583.720 3.975 1 0 KHAFRO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)[C@H](CCC)C1=O ZINC000029129207 562001830 /nfs/dbraw/zinc/00/18/30/562001830.db2.gz JZNBSMOUXMVJJI-IVPISEAZSA-N 1 0 571.709 3.975 1 0 KHAFRO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)[C@H](CC)C1=O ZINC000029129268 562001860 /nfs/dbraw/zinc/00/18/60/562001860.db2.gz SOSILAYXEBGSER-XBGOEWRMSA-N 1 0 557.682 3.585 1 0 KHAFRO C[C@H](CC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-n2ccnn2)cc(-n2ccnn2)c1 ZINC000029129319 562001813 /nfs/dbraw/zinc/00/18/13/562001813.db2.gz DGYXGFPBBALNKC-IRLDBZIGSA-N 1 0 517.613 3.842 1 0 KHAFRO CN(CC[NH+](C)C)C(=O)c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1 ZINC000029129325 562001791 /nfs/dbraw/zinc/00/17/91/562001791.db2.gz NVQSWEHEFJXOED-UHFFFAOYSA-N 1 0 527.633 3.910 1 0 KHAFRO C[NH+](C)CCNC(=O)c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1 ZINC000029129413 562001784 /nfs/dbraw/zinc/00/17/84/562001784.db2.gz RHLSVEXDNGVVDO-UHFFFAOYSA-N 1 0 513.606 3.568 1 0 KHAFRO Cc1cccc(CN2C[C@@H](C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)[C@H]3C[C@@H](OCc4ccccc4)C[NH2+]3)CC2=O)c1 ZINC000029129540 562001897 /nfs/dbraw/zinc/00/18/97/562001897.db2.gz SHYZDIAEEXDRKD-RYUYIOONSA-N 1 0 577.672 3.657 1 0 KHAFRO CCc1cc(NC(=O)N[C@H](C)C[C@@H](O)[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029129747 562002012 /nfs/dbraw/zinc/00/20/12/562002012.db2.gz HRZQKGGVQGIRFQ-DHTSOJEISA-N 1 0 509.630 3.752 1 0 KHAFRO C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(Br)cc(-c2nnnn2C)c1 ZINC000029129843 562002133 /nfs/dbraw/zinc/00/21/33/562002133.db2.gz YTOIIZAJOYVDMZ-WLENULPWSA-N 1 0 560.472 3.952 1 0 KHAFRO CCCCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029129864 562002093 /nfs/dbraw/zinc/00/20/93/562002093.db2.gz IKODLZLZNMQHGK-PWOSISDISA-N 1 0 557.682 3.729 1 0 KHAFRO CC(C)[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000029130145 562002291 /nfs/dbraw/zinc/00/22/91/562002291.db2.gz YXGHCLLTAXLPMG-KSNOWIBYSA-N 1 0 509.630 3.826 1 0 KHAFRO CCC[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000029130147 562002285 /nfs/dbraw/zinc/00/22/85/562002285.db2.gz YVVCYGCCIFEDCL-QUURXOELSA-N 1 0 509.630 3.970 1 0 KHAFRO C/C(=C\S(=O)(=O)N[C@@H]1CCN(c2ccc(-n3cncc3C[NH+](C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130405 562002577 /nfs/dbraw/zinc/00/25/77/562002577.db2.gz LQSDVSLUDFUDNW-OCKXMSAZSA-N 1 0 538.070 3.874 1 0 KHAFRO C/C(=C\S(=O)(=O)N[C@H]1CCN(c2ccc(-n3cncc3C[NH+](C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130407 562002548 /nfs/dbraw/zinc/00/25/48/562002548.db2.gz LQSDVSLUDFUDNW-LLLGYDHXSA-N 1 0 538.070 3.874 1 0 KHAFRO CN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000029131768 562003161 /nfs/dbraw/zinc/00/31/61/562003161.db2.gz CWXQCNUDEDMEQN-UHFFFAOYSA-N 1 0 502.036 3.672 1 0 KHAFRO Cc1ccc(O)c(Cn2c3cc(CN(CCO)c4ccccc4)ccc3nc2NC2CC[NH+](C)CC2)n1 ZINC000029133895 562003791 /nfs/dbraw/zinc/00/37/91/562003791.db2.gz AJAJHTKSBWGTNA-UHFFFAOYSA-N 1 0 500.647 3.999 1 0 KHAFRO CC(=O)Nc1ccc2c(c1)CN[C@@H](C(=O)N[C@H](C[N@@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2 ZINC000029134314 562004071 /nfs/dbraw/zinc/00/40/71/562004071.db2.gz TYZQIZPTTJMOGI-VCLLDZPSSA-N 1 0 506.691 3.805 1 0 KHAFRO CCC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000029136297 562004693 /nfs/dbraw/zinc/00/46/93/562004693.db2.gz LHOSCMCNLGTJKO-RQOYOAKWSA-N 1 0 733.914 3.721 1 0 KHAFRO CCC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000029136299 562004672 /nfs/dbraw/zinc/00/46/72/562004672.db2.gz LHOSCMCNLGTJKO-QOEXFKEZSA-N 1 0 733.914 3.721 1 0 KHAFRO COc1cc(C[NH2+][C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1 ZINC000029203318 562004825 /nfs/dbraw/zinc/00/48/25/562004825.db2.gz OFDVXWYZNMZRRS-GVQBMFDGSA-N 1 0 549.576 3.921 1 0 KHAFRO CCCCC[N@@H+]1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 ZINC000029219394 562006975 /nfs/dbraw/zinc/00/69/75/562006975.db2.gz RLDVCAAMMASIOK-ZMKXSNQSSA-N 1 0 514.626 3.846 1 0 KHAFRO CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029219497 562006937 /nfs/dbraw/zinc/00/69/37/562006937.db2.gz ITXAAADARXPCRG-DEOSSOPVSA-N 1 0 507.616 3.751 1 0 KHAFRO O=C1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029221050 562007215 /nfs/dbraw/zinc/00/72/15/562007215.db2.gz PPJODYFRWIXBIM-NKEDMJSUSA-N 1 0 534.616 3.856 1 0 KHAFRO C[C@@H](O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029221055 562007205 /nfs/dbraw/zinc/00/72/05/562007205.db2.gz HAFJMWSREDSTPG-IBVKSMDESA-N 1 0 551.669 3.502 1 0 KHAFRO C[C@H](O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029221061 562007269 /nfs/dbraw/zinc/00/72/69/562007269.db2.gz HAFJMWSREDSTPG-FNZWTVRRSA-N 1 0 551.669 3.502 1 0 KHAFRO CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029221454 562007197 /nfs/dbraw/zinc/00/71/97/562007197.db2.gz DKMUNYSOBFMRIL-SANMLTNESA-N 1 0 549.653 3.710 1 0 KHAFRO CNC(=O)N[C@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029222118 562007360 /nfs/dbraw/zinc/00/73/60/562007360.db2.gz DVYQAZHFWGJCRQ-VMPREFPWSA-N 1 0 645.717 3.956 1 0 KHAFRO CNC(=O)N[C@@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029222123 562007307 /nfs/dbraw/zinc/00/73/07/562007307.db2.gz DVYQAZHFWGJCRQ-URLMMPGGSA-N 1 0 645.717 3.956 1 0 KHAFRO N[C@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029222188 562007284 /nfs/dbraw/zinc/00/72/84/562007284.db2.gz UZBJSCQYHBNMEV-NSOVKSMOSA-N 1 0 588.665 3.985 1 0 KHAFRO N[C@@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029222193 562007371 /nfs/dbraw/zinc/00/73/71/562007371.db2.gz UZBJSCQYHBNMEV-WUFINQPMSA-N 1 0 588.665 3.985 1 0 KHAFRO CC[C@@H](O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029222357 562007366 /nfs/dbraw/zinc/00/73/66/562007366.db2.gz DNNSVECYBBMEQR-RSXGOPAZSA-N 1 0 551.669 3.502 1 0 KHAFRO CC[C@H](O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029222362 562007460 /nfs/dbraw/zinc/00/74/60/562007460.db2.gz DNNSVECYBBMEQR-AHWVRZQESA-N 1 0 551.669 3.502 1 0 KHAFRO CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029222367 562007489 /nfs/dbraw/zinc/00/74/89/562007489.db2.gz YJTBKMNJMMUQAK-SANMLTNESA-N 1 0 549.653 3.710 1 0 KHAFRO CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 ZINC000029222929 562007507 /nfs/dbraw/zinc/00/75/07/562007507.db2.gz JLGFGRUIACKCGA-LJAQVGFWSA-N 1 0 648.767 3.760 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029223058 562007557 /nfs/dbraw/zinc/00/75/57/562007557.db2.gz PPJODYFRWIXBIM-PCFFTZKOSA-N 1 0 534.616 3.856 1 0 KHAFRO CS(=O)(=O)N[C@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029223980 562007717 /nfs/dbraw/zinc/00/77/17/562007717.db2.gz RZSMMDOVVPJVHW-VMPREFPWSA-N 1 0 666.757 3.576 1 0 KHAFRO CS(=O)(=O)N[C@@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029223985 562007733 /nfs/dbraw/zinc/00/77/33/562007733.db2.gz RZSMMDOVVPJVHW-URLMMPGGSA-N 1 0 666.757 3.576 1 0 KHAFRO C[NH+]1CCC(C(=O)N(CCc2ccc3c(c2)OCO3)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)CC1 ZINC000029227853 562008776 /nfs/dbraw/zinc/00/87/76/562008776.db2.gz WHPHUMUDKVGQBX-KYJUHHDHSA-N 1 0 622.162 3.949 1 0 KHAFRO Cc1ccccc1/C=C1\CS(=O)(=O)C[C@@H]2C1=NN(CCCN1CC[NH+](C)CC1)[C@H]2c1ccccc1C ZINC000029254952 562011696 /nfs/dbraw/zinc/01/16/96/562011696.db2.gz DEBDSFQZADBBBK-QISWABPXSA-N 1 0 506.716 3.782 1 0 KHAFRO Cc1ccccc1/C=C1\CS(=O)(=O)C[C@H]2C1=NN(CCCN1CC[NH+](C)CC1)[C@H]2c1ccccc1C ZINC000029254958 562011690 /nfs/dbraw/zinc/01/16/90/562011690.db2.gz DEBDSFQZADBBBK-TVXLKGAYSA-N 1 0 506.716 3.782 1 0 KHAFRO C[NH+]1CCN(CCCN2N=C3/C(=C/c4ccc([S@@](C)=O)cc4)CSC[C@@H]3[C@@H]2c2ccc([S@@](C)=O)cc2)CC1 ZINC000029308540 562011786 /nfs/dbraw/zinc/01/17/86/562011786.db2.gz VQRAMUPQOFYBNQ-SYIPRPIQSA-N 1 0 570.850 3.958 1 0 KHAFRO COc1ccc(OCCCC[N@H+](C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000029315390 562012366 /nfs/dbraw/zinc/01/23/66/562012366.db2.gz NXRXCFXGMTWLJQ-UHFFFAOYSA-N 1 0 500.636 3.829 1 0 KHAFRO COc1cc(O)c2c(c1C)C(=O)CCCCCC(=S)N[C@H](c1nc(NC(=O)[C@H](C)[NH3+])no1)CSC2 ZINC000029317909 562012598 /nfs/dbraw/zinc/01/25/98/562012598.db2.gz PFDJRNOXDHJFRE-ZFWWWQNUSA-N 1 0 521.665 3.828 1 0 KHAFRO C[NH+]1CCC(OC(=O)c2cc(I)cc(I)c2I)CC1 ZINC000029325113 562013357 /nfs/dbraw/zinc/01/33/57/562013357.db2.gz PZYWQMVJBUNMOE-UHFFFAOYSA-N 1 0 596.972 3.751 1 0 KHAFRO COC(=O)CNC12C[C@H]3C[C@@H](C1)CC(NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCC1c4ccccc4-c4ccccc41)(C3)C2 ZINC000029334228 562014132 /nfs/dbraw/zinc/01/41/32/562014132.db2.gz AVRVTQLIGHQTOM-GZOZYUJXSA-N 1 0 588.749 3.993 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342226 562015450 /nfs/dbraw/zinc/01/54/50/562015450.db2.gz JAQCLZBOQNBXAW-IZPBGRRQSA-N 1 0 618.823 3.699 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342230 562015486 /nfs/dbraw/zinc/01/54/86/562015486.db2.gz JAQCLZBOQNBXAW-DEZRIKPSSA-N 1 0 618.823 3.699 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029389779 562016983 /nfs/dbraw/zinc/01/69/83/562016983.db2.gz VIXULTRKHNJGCZ-ANBUJASZSA-N 1 0 593.813 3.608 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029389782 562017027 /nfs/dbraw/zinc/01/70/27/562017027.db2.gz VIXULTRKHNJGCZ-CDBXIMANSA-N 1 0 593.813 3.608 1 0 KHAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000029394091 562018162 /nfs/dbraw/zinc/01/81/62/562018162.db2.gz IPMMRFCBYFNVNO-VUFXOVIRSA-N 1 0 566.743 3.753 1 0 KHAFRO NC(=[NH2+])c1cccc(OC[C@@H](Cc2ccccc2)NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029395514 562018419 /nfs/dbraw/zinc/01/84/19/562018419.db2.gz AKUFEEFGKQKCSF-XMMPIXPASA-N 1 0 528.634 3.705 1 0 KHAFRO NC(=[NH2+])c1cccc(OC[C@H](Cc2ccccc2)NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029395517 562018395 /nfs/dbraw/zinc/01/83/95/562018395.db2.gz AKUFEEFGKQKCSF-DEOSSOPVSA-N 1 0 528.634 3.705 1 0 KHAFRO CS(=O)(=O)Nc1ccc(Oc2cccc(C(N)=[NH2+])c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029401599 562019746 /nfs/dbraw/zinc/01/97/46/562019746.db2.gz NSQRNVJINADEIA-UHFFFAOYSA-N 1 0 579.660 3.701 1 0 KHAFRO CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(Oc2cccc(C(N)=[NH2+])c2)c1 ZINC000029402965 562019986 /nfs/dbraw/zinc/01/99/86/562019986.db2.gz GFTDNSMIRBLHTL-UHFFFAOYSA-N 1 0 579.660 3.701 1 0 KHAFRO CCOC(=O)C1=C(COCCC[NH+]2CCN(C)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029404692 562020407 /nfs/dbraw/zinc/02/04/07/562020407.db2.gz ZEFMQUMWVCIRST-NOGAPMQYSA-N 1 0 506.043 3.785 1 0 KHAFRO CCOC(=O)C1=C(COCCC[NH+]2CCN(C)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029404695 562020447 /nfs/dbraw/zinc/02/04/47/562020447.db2.gz ZEFMQUMWVCIRST-LIZHXUNESA-N 1 0 506.043 3.785 1 0 KHAFRO CS(=O)(=O)c1ccc(Oc2cccc(C(N)=[NH2+])c2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029407825 562021055 /nfs/dbraw/zinc/02/10/55/562021055.db2.gz NRTNLSLCHHNPNM-UHFFFAOYSA-N 1 0 564.645 3.733 1 0 KHAFRO CC[NH+](CC)CCN(C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]21)OCO3 ZINC000029410414 562021601 /nfs/dbraw/zinc/02/16/01/562021601.db2.gz KCBFLYRJTUOCRO-HIYJGCFHSA-N 1 0 540.657 3.820 1 0 KHAFRO CC[NH+](CC)CCN(C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000029410417 562021565 /nfs/dbraw/zinc/02/15/65/562021565.db2.gz KCBFLYRJTUOCRO-PFFNZIMVSA-N 1 0 540.657 3.820 1 0 KHAFRO O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000029411261 562021717 /nfs/dbraw/zinc/02/17/17/562021717.db2.gz RPKXTHDVAPAPMQ-ZVQIVUKFSA-N 1 0 507.030 3.808 1 0 KHAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)CC[NH+]3CCCCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412189 562021917 /nfs/dbraw/zinc/02/19/17/562021917.db2.gz NUESWDDVLSAUMU-BLURRDHPSA-N 1 0 552.668 3.964 1 0 KHAFRO C[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000029414428 562022642 /nfs/dbraw/zinc/02/26/42/562022642.db2.gz CIVVPNSGEBJSKV-YIXXDRMTSA-N 1 0 505.703 3.750 1 0 KHAFRO CCCC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000029416938 562023137 /nfs/dbraw/zinc/02/31/37/562023137.db2.gz TYOBVSWYHQVCEW-MOUVJORGSA-N 1 0 573.819 3.828 1 0 KHAFRO C[NH+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029466628 562024467 /nfs/dbraw/zinc/02/44/67/562024467.db2.gz UJCFZUSDDLBZTG-GWMMUDDPSA-N 1 0 557.732 3.912 1 0 KHAFRO C[N@@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029466631 562024500 /nfs/dbraw/zinc/02/45/00/562024500.db2.gz UJCFZUSDDLBZTG-YIPNQBBMSA-N 1 0 557.732 3.912 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O ZINC000029467824 562024897 /nfs/dbraw/zinc/02/48/97/562024897.db2.gz HSGWMHCBWWNMPP-HLTGYJCXSA-N 1 0 724.990 3.749 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O ZINC000029467827 562024820 /nfs/dbraw/zinc/02/48/20/562024820.db2.gz HSGWMHCBWWNMPP-NJQBBZKJSA-N 1 0 724.990 3.749 1 0 KHAFRO CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029468233 562024943 /nfs/dbraw/zinc/02/49/43/562024943.db2.gz LPPXRQSRGPFEKI-HVWQDESWSA-N 1 0 557.732 3.960 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029470131 562025298 /nfs/dbraw/zinc/02/52/98/562025298.db2.gz KKRYDPVDJYCEER-ASDGIDEWSA-N 1 0 543.705 3.570 1 0 KHAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029471326 562025572 /nfs/dbraw/zinc/02/55/72/562025572.db2.gz KKRYDPVDJYCEER-QYOOZWMWSA-N 1 0 543.705 3.570 1 0 KHAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029471330 562025545 /nfs/dbraw/zinc/02/55/45/562025545.db2.gz KKRYDPVDJYCEER-POYMRFPPSA-N 1 0 543.705 3.570 1 0 KHAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029471334 562025710 /nfs/dbraw/zinc/02/57/10/562025710.db2.gz KKRYDPVDJYCEER-FATVKVNYSA-N 1 0 543.705 3.570 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029472813 562025779 /nfs/dbraw/zinc/02/57/79/562025779.db2.gz KKRYDPVDJYCEER-CQJMVLFOSA-N 1 0 543.705 3.570 1 0 KHAFRO COC(=O)C(C)(C)c1nc2n(c1CN1CC[NH+](C)CC1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029473779 562026107 /nfs/dbraw/zinc/02/61/07/562026107.db2.gz OXPKOLSGDHZRRI-UHFFFAOYSA-N 1 0 575.685 3.865 1 0 KHAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029474205 562026093 /nfs/dbraw/zinc/02/60/93/562026093.db2.gz KKRYDPVDJYCEER-XDZVQPMWSA-N 1 0 543.705 3.570 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)C(=O)NCc1ccccn1 ZINC000029475383 562026318 /nfs/dbraw/zinc/02/63/18/562026318.db2.gz QKAZGQOMMMGHDC-VWZGVSDNSA-N 1 0 573.823 3.690 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)C(=O)NCc1ccccn1 ZINC000029475388 562026268 /nfs/dbraw/zinc/02/62/68/562026268.db2.gz QKAZGQOMMMGHDC-AGEVTBPVSA-N 1 0 573.823 3.690 1 0 KHAFRO Cc1cccc(C(=O)N2CCC([NH+]3CCC(C4(c5ccc(C(=O)NC(C)C)cc5)OCCO4)CC3)CC2)c1N ZINC000029477344 562026656 /nfs/dbraw/zinc/02/66/56/562026656.db2.gz HGQVASDPTOFFDJ-UHFFFAOYSA-N 1 0 534.701 3.932 1 0 KHAFRO Cc1c(N)cccc1C(=O)N1CCC([NH+]2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1 ZINC000029477680 562026650 /nfs/dbraw/zinc/02/66/50/562026650.db2.gz WXWHFWQBFOKYLT-UHFFFAOYSA-N 1 0 534.701 3.932 1 0 KHAFRO Cn1nnnc1-c1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000029481380 562027398 /nfs/dbraw/zinc/02/73/98/562027398.db2.gz OUXSFLLYMQLORZ-RUZDIDTESA-N 1 0 523.641 3.636 1 0 KHAFRO Cn1nnc(-c2ccccc2-c2ccc(CN3c4ccccc4CC[C@@H](NC(=O)CC(C)(C)[NH3+])C3=O)cc2)n1 ZINC000029481383 562027395 /nfs/dbraw/zinc/02/73/95/562027395.db2.gz WZECTSQOXZMTCE-RUZDIDTESA-N 1 0 523.641 3.636 1 0 KHAFRO [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCn1ccnc1)C(=O)NCCC1CCCCC1 ZINC000029546889 562030090 /nfs/dbraw/zinc/03/00/90/562030090.db2.gz KHBIZZLBPWPVKH-NSOVKSMOSA-N 1 0 576.827 3.572 1 0 KHAFRO CS(=O)(=O)N1CCC2(C1)CCN(C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ccccc1)CC2 ZINC000029550011 562030828 /nfs/dbraw/zinc/03/08/28/562030828.db2.gz VFXYWFFOVYLHOY-DEOSSOPVSA-N 1 0 554.540 3.943 1 0 KHAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H]([NH3+])CCCCNC(=O)OCc4ccccc4)cc3)nc2c(=O)n(CCC)c1=S ZINC000029551329 562031088 /nfs/dbraw/zinc/03/10/88/562031088.db2.gz CFDDZCGRTZNYRJ-MHZLTWQESA-N 1 0 706.870 3.778 1 0 KHAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H]([NH3+])CCCCNC(=O)OCc4ccccc4)cc3)nc2c(=O)n(CCC)c1=S ZINC000029551332 562031028 /nfs/dbraw/zinc/03/10/28/562031028.db2.gz CFDDZCGRTZNYRJ-HHHXNRCGSA-N 1 0 706.870 3.778 1 0 KHAFRO CCC(=O)N1CC[NH+](CCCc2c(/C=C3\C(=O)Nc4ccc(S(=O)(=O)CC)cc43)[nH]c3c2CCCC3)CC1 ZINC000029558060 562032534 /nfs/dbraw/zinc/03/25/34/562032534.db2.gz KUKPHWRHQXWIRT-CLCOLTQESA-N 1 0 538.714 3.667 1 0 KHAFRO CC(C)OCCOC(=O)C1(C(=O)OCCOC(C)C)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029558295 562032556 /nfs/dbraw/zinc/03/25/56/562032556.db2.gz GVWCDKVKGDLHFD-BWKNWUBXSA-N 1 0 594.101 3.998 1 0 KHAFRO CCc1ccc(CC[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)s1 ZINC000029559189 562032668 /nfs/dbraw/zinc/03/26/68/562032668.db2.gz XWDZZONMJRJYLZ-PCYHVKPNSA-N 1 0 690.973 3.664 1 0 KHAFRO CN(C)C(=O)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029560719 562033041 /nfs/dbraw/zinc/03/30/41/562033041.db2.gz SJARYAPYFGQJAQ-GGZKDCFISA-N 1 0 613.803 3.509 1 0 KHAFRO CCCC(=O)OCOC(=O)C1(C(=O)OCOC(=O)CCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029560985 562033197 /nfs/dbraw/zinc/03/31/97/562033197.db2.gz IPJWKQWZQMXWIP-XXBNENTESA-N 1 0 622.067 3.750 1 0 KHAFRO CCC(=O)O[C@H](C)OC(=O)C1(C(=O)O[C@@H](C)OC(=O)CC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029561628 562033315 /nfs/dbraw/zinc/03/33/15/562033315.db2.gz IMJUBJBXKRWNAH-XQQXVUDOSA-N 1 0 622.067 3.747 1 0 KHAFRO CCC(=O)O[C@@H](C)OC(=O)C1(C(=O)O[C@H](C)OC(=O)CC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029561631 562033332 /nfs/dbraw/zinc/03/33/32/562033332.db2.gz IMJUBJBXKRWNAH-ZQAYVECASA-N 1 0 622.067 3.747 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC[C@@H]1CCCO1)(C(=O)OC[C@@H]1CCCO1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561671 562033319 /nfs/dbraw/zinc/03/33/19/562033319.db2.gz FPSHVGKMJDSSCL-RYCFVGSHSA-N 1 0 590.069 3.506 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC[C@H]1CCCO1)(C(=O)OC[C@H]1CCCO1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561681 562033307 /nfs/dbraw/zinc/03/33/07/562033307.db2.gz FPSHVGKMJDSSCL-KXMWUTRISA-N 1 0 590.069 3.506 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCC1CC1)(C(=O)OCC1CC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563885 562033975 /nfs/dbraw/zinc/03/39/75/562033975.db2.gz BFUSPRCMZMZPNZ-HXOBKFHXSA-N 1 0 530.017 3.968 1 0 KHAFRO CNC(=O)CCCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029564352 562034038 /nfs/dbraw/zinc/03/40/38/562034038.db2.gz LCFLSYGKACTLJC-JDRIOXEBSA-N 1 0 627.830 3.947 1 0 KHAFRO CC1(C)C/N=C/[C@](C)(OCc2ccccc2)C(=O)NC(C)(C)C/[NH+]=C/[C@@](C)(OCc2ccccc2)C(=O)N1 ZINC000031851342 562036412 /nfs/dbraw/zinc/03/64/12/562036412.db2.gz SEGFYKICHJQPLU-UWNGYHDTSA-N 1 0 520.674 3.882 1 0 KHAFRO CC1(C)C/N=C/[C@](C)(OCc2ccccc2)C(=O)NC(C)(C)C/[NH+]=C/[C@](C)(OCc2ccccc2)C(=O)N1 ZINC000031851346 562036474 /nfs/dbraw/zinc/03/64/74/562036474.db2.gz SEGFYKICHJQPLU-BRGLGWBRSA-N 1 0 520.674 3.882 1 0 KHAFRO COC(=O)C[C@]1(OC(=O)[C@H]2C(OC)=C[C@]34CCC[N@H+]3CCCc3cc5c(cc3[C@@H]24)OCO5)CCC(C)(C)O1 ZINC000033832245 560088385 /nfs/dbraw/zinc/08/83/85/560088385.db2.gz QJMZIBVOUKSWIL-NSIYGSDQSA-N 1 0 527.614 3.831 1 0 biogenic,in-vitro KHAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCn3ccc(C(F)(F)F)nc3=O)CC2)cc(C(F)(F)F)n1 ZINC000034060053 562038141 /nfs/dbraw/zinc/03/81/41/562038141.db2.gz KRGUVGVAIPSTCB-UHFFFAOYSA-N 1 0 506.495 3.971 1 0 KHAFRO COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3[NH3+])n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1 ZINC000034109033 562038236 /nfs/dbraw/zinc/03/82/36/562038236.db2.gz UCDYGVBDFHZXEE-RTWAWAEBSA-N 1 0 501.591 3.938 1 0 KHAFRO O=C(NCCc1ccccc1)c1cccc(CN2CCN(C(=O)C3CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000034261250 562038546 /nfs/dbraw/zinc/03/85/46/562038546.db2.gz OCGRKXTZCDIWNE-UHFFFAOYSA-N 1 0 525.697 3.611 1 0 KHAFRO C[NH2+]CCOc1cc(Cl)c(C(F)(F)F)cc1NC(=O)NCCc1ccc2[nH]c(=NC(C)=O)[nH]c2c1 ZINC000034471391 562038963 /nfs/dbraw/zinc/03/89/63/562038963.db2.gz DJJGOSSNKWFDBX-UHFFFAOYSA-N 1 0 512.920 3.578 1 0 KHAFRO COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCC[NH+](C)C)c4)c3n2)cc(OC)c1OC ZINC000034534380 562039002 /nfs/dbraw/zinc/03/90/02/562039002.db2.gz JOERGFNRNZMWQP-UHFFFAOYSA-N 1 0 504.591 3.871 1 0 KHAFRO Cc1ccccc1/C=C1\CS(=O)(=O)C[C@@H]2C1=NN(CCCN1CC[NH+](C)CC1)[C@@H]2c1ccccc1C ZINC000034588909 562039142 /nfs/dbraw/zinc/03/91/42/562039142.db2.gz DEBDSFQZADBBBK-OCRUCBGJSA-N 1 0 506.716 3.782 1 0 KHAFRO Cc1ccccc1/C=C1\CS(=O)(=O)C[C@H]2C1=NN(CCCN1CC[NH+](C)CC1)[C@@H]2c1ccccc1C ZINC000034588911 562039145 /nfs/dbraw/zinc/03/91/45/562039145.db2.gz DEBDSFQZADBBBK-UNKXWDAWSA-N 1 0 506.716 3.782 1 0 KHAFRO Cc1cc(-c2c(O)cccc2F)cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc12 ZINC000034608695 562039244 /nfs/dbraw/zinc/03/92/44/562039244.db2.gz KFDJNCCNWVEQKZ-UHFFFAOYSA-N 1 0 522.606 3.963 1 0 KHAFRO COc1ccc2ncc(F)c(CC[N@@H+]3C[C@@H]4CCC[C@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000034608698 562039219 /nfs/dbraw/zinc/03/92/19/562039219.db2.gz SRAVTNUCBHQYLG-SOKVYYICSA-N 1 0 522.650 3.651 1 0 KHAFRO COc1ccc2ncc(F)c(CC[N@@H+]3C[C@H]4CCC[C@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000034608699 562039292 /nfs/dbraw/zinc/03/92/92/562039292.db2.gz SRAVTNUCBHQYLG-CRYYWNKWSA-N 1 0 522.650 3.651 1 0 KHAFRO CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000034689246 562039779 /nfs/dbraw/zinc/03/97/79/562039779.db2.gz UDYLFWYFTHNPLS-GSDHBNRESA-N 1 0 719.696 3.728 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000034689248 562039816 /nfs/dbraw/zinc/03/98/16/562039816.db2.gz OLQGYESZUNMFCC-RYCFVGSHSA-N 1 0 705.724 3.986 1 0 KHAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717919 562040118 /nfs/dbraw/zinc/04/01/18/562040118.db2.gz OLOPACVMUDGOAP-NUZLPUNMSA-N 1 0 672.679 3.623 1 0 KHAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)c1ccccc1)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717921 562040122 /nfs/dbraw/zinc/04/01/22/562040122.db2.gz OLOPACVMUDGOAP-GSEMILKTSA-N 1 0 672.679 3.623 1 0 KHAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717936 562040129 /nfs/dbraw/zinc/04/01/29/562040129.db2.gz MLDAHNABORMCIW-GGPAXRDESA-N 1 0 678.708 3.685 1 0 KHAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)c1cccs1)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717938 562040075 /nfs/dbraw/zinc/04/00/75/562040075.db2.gz MLDAHNABORMCIW-OEQAEZTDSA-N 1 0 678.708 3.685 1 0 KHAFRO Cc1ccc(C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000034717940 562040124 /nfs/dbraw/zinc/04/01/24/562040124.db2.gz RVUTWEFFIHQSMC-RWIFEVTBSA-N 1 0 686.706 3.932 1 0 KHAFRO Cc1ccc(C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccc(NC(N)=[NH2+])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000034717942 562040208 /nfs/dbraw/zinc/04/02/08/562040208.db2.gz RVUTWEFFIHQSMC-IFDYJGHISA-N 1 0 686.706 3.932 1 0 KHAFRO Cc1cccc(C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000034717944 562040197 /nfs/dbraw/zinc/04/01/97/562040197.db2.gz GMFQRYSLIXDAIU-RWIFEVTBSA-N 1 0 686.706 3.932 1 0 KHAFRO Cc1cccc(C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccc(NC(N)=[NH2+])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000034717946 562040212 /nfs/dbraw/zinc/04/02/12/562040212.db2.gz GMFQRYSLIXDAIU-IFDYJGHISA-N 1 0 686.706 3.932 1 0 KHAFRO Cc1ccccc1C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717948 562040217 /nfs/dbraw/zinc/04/02/17/562040217.db2.gz TYRZSNKCILDHRL-RWIFEVTBSA-N 1 0 686.706 3.932 1 0 KHAFRO Cc1ccccc1C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717950 562040219 /nfs/dbraw/zinc/04/02/19/562040219.db2.gz TYRZSNKCILDHRL-IFDYJGHISA-N 1 0 686.706 3.932 1 0 KHAFRO CCCn1c2cc(-c3ccc(S(=O)(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000034800817 562041092 /nfs/dbraw/zinc/04/10/92/562041092.db2.gz ZXNALUCCGCWLRY-UHFFFAOYSA-N 1 0 563.724 3.921 1 0 KHAFRO CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801573 562041143 /nfs/dbraw/zinc/04/11/43/562041143.db2.gz NMWBSUPOLBWSNJ-DEOSSOPVSA-N 1 0 543.642 3.722 1 0 KHAFRO CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801584 562041198 /nfs/dbraw/zinc/04/11/98/562041198.db2.gz QTRGGBVZQYMUBP-DEOSSOPVSA-N 1 0 527.643 3.504 1 0 KHAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000034802109 562041688 /nfs/dbraw/zinc/04/16/88/562041688.db2.gz KFVGSPFDTINYRJ-SXLOSVNLSA-N 1 0 622.810 3.870 1 0 KHAFRO O=C(CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000034802116 562041724 /nfs/dbraw/zinc/04/17/24/562041724.db2.gz CNPFYHSXAKKLOF-SLGZMBILSA-N 1 0 662.753 3.897 1 0 KHAFRO O=C(CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000034802120 562041681 /nfs/dbraw/zinc/04/16/81/562041681.db2.gz DKABYCZEFMBXSO-BMSWWXRLSA-N 1 0 662.753 3.897 1 0 KHAFRO CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)[NH2+][C@H](O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000034802553 562042069 /nfs/dbraw/zinc/04/20/69/562042069.db2.gz CGYHWAGHBNRYKO-NAZZLVIRSA-N 1 0 529.722 3.740 1 0 KHAFRO CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)[NH2+][C@H](O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000034802555 562042123 /nfs/dbraw/zinc/04/21/23/562042123.db2.gz CGYHWAGHBNRYKO-WVYXQFEOSA-N 1 0 529.722 3.740 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)c1ccc(C[NH2+]C)cc1)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)NCCCc1ccccc1 ZINC000034802562 562042082 /nfs/dbraw/zinc/04/20/82/562042082.db2.gz POMPAVNXKGHLHK-PUHZADGKSA-N 1 0 552.760 3.581 1 0 KHAFRO COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCC(CO)CC5)c(OC)cc43)n[nH]2)c1 ZINC000034802962 562042306 /nfs/dbraw/zinc/04/23/06/562042306.db2.gz SJJYWHYLVWAUQL-UHFFFAOYSA-N 1 0 575.670 3.768 1 0 KHAFRO COc1cc2c(cc1OCCC[N@@H+]1CCC[C@@H]1CO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034802971 562042360 /nfs/dbraw/zinc/04/23/60/562042360.db2.gz KALSMXLQRKFVPO-GOSISDBHSA-N 1 0 567.597 3.790 1 0 KHAFRO COc1cc2c(cc1OCCC[N@@H+]1CCC[C@H]1CO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034802974 562042296 /nfs/dbraw/zinc/04/22/96/562042296.db2.gz KALSMXLQRKFVPO-SFHVURJKSA-N 1 0 567.597 3.790 1 0 KHAFRO CC[N@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803006 562042286 /nfs/dbraw/zinc/04/22/86/562042286.db2.gz CNWZWPQCJCOBHA-UHFFFAOYSA-N 1 0 525.560 3.639 1 0 KHAFRO O=C(Cc1cc(Nc2ncnc3cc(OCCC[N@H+]4CCC[C@@H]4CO)ccc32)n[nH]1)Nc1cccc(F)c1F ZINC000034803013 562042356 /nfs/dbraw/zinc/04/23/56/562042356.db2.gz ZNGNLXZBVWXEKM-GOSISDBHSA-N 1 0 537.571 3.782 1 0 KHAFRO CC[N@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1OC ZINC000034803020 562042310 /nfs/dbraw/zinc/04/23/10/562042310.db2.gz HOHHMYNNRAVKQB-UHFFFAOYSA-N 1 0 537.596 3.509 1 0 KHAFRO CCC[N@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1 ZINC000034803023 562042475 /nfs/dbraw/zinc/04/24/75/562042475.db2.gz XQWUFPUUHVVAIM-UHFFFAOYSA-N 1 0 521.597 3.890 1 0 KHAFRO O=C(Cc1cc(Nc2ncnc3cc(OCCC[N@H+]4CCC[C@@H]4CO)ccc32)n[nH]1)Nc1cccc(F)c1 ZINC000034803027 562042447 /nfs/dbraw/zinc/04/24/47/562042447.db2.gz WWZCTHYYRVAJIG-OAQYLSRUSA-N 1 0 519.581 3.642 1 0 KHAFRO CCC[N@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1OC ZINC000034803032 562042479 /nfs/dbraw/zinc/04/24/79/562042479.db2.gz JCXULQAGBNATOH-UHFFFAOYSA-N 1 0 551.623 3.899 1 0 KHAFRO CC[N@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC ZINC000034803035 562042457 /nfs/dbraw/zinc/04/24/57/562042457.db2.gz YOZAGBCKIMCHID-UHFFFAOYSA-N 1 0 555.586 3.648 1 0 KHAFRO COc1cc2c(cc1OCCC[N@@H+]1CCC[C@@H]1CO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1 ZINC000034803048 562042454 /nfs/dbraw/zinc/04/24/54/562042454.db2.gz SQYOZDZCDXQDRZ-OAQYLSRUSA-N 1 0 549.607 3.651 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCC(O)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803056 562042482 /nfs/dbraw/zinc/04/24/82/562042482.db2.gz HCTOHQBQSMBFHY-UHFFFAOYSA-N 1 0 567.597 3.790 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2ccccc2)[nH]n1 ZINC000034803066 562042466 /nfs/dbraw/zinc/04/24/66/562042466.db2.gz GPWGVKOPIRJRKV-UHFFFAOYSA-N 1 0 545.644 3.760 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2ccccc2F)[nH]n1 ZINC000034803070 562042469 /nfs/dbraw/zinc/04/24/69/562042469.db2.gz ADTSCWGDALDZSK-UHFFFAOYSA-N 1 0 563.634 3.899 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1 ZINC000034803074 562042445 /nfs/dbraw/zinc/04/24/45/562042445.db2.gz JLBXEVHWZFQSBL-UHFFFAOYSA-N 1 0 563.634 3.899 1 0 KHAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2ccc(F)cc2)[nH]n1 ZINC000034803077 562042464 /nfs/dbraw/zinc/04/24/64/562042464.db2.gz GQVQUORGWXYGNR-UHFFFAOYSA-N 1 0 563.634 3.899 1 0 KHAFRO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(CC[C@H]2C[C@@H]2C)cc(N(C)S(C)(=O)=O)c1 ZINC000034803874 562042668 /nfs/dbraw/zinc/04/26/68/562042668.db2.gz BWAPWBLINFCSAX-MNWJQILNSA-N 1 0 570.800 3.762 1 0 KHAFRO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(CC[C@@H]2C[C@@H]2C)cc(N(C)S(C)(=O)=O)c1 ZINC000034803877 562042853 /nfs/dbraw/zinc/04/28/53/562042853.db2.gz BWAPWBLINFCSAX-TUYNLFGTSA-N 1 0 570.800 3.762 1 0 KHAFRO CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034804010 562042774 /nfs/dbraw/zinc/04/27/74/562042774.db2.gz PGTIPBIHTMRPEQ-QFIPXVFZSA-N 1 0 542.036 3.713 1 0 KHAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCCc3ccccc3)CC2)n1 ZINC000034804020 562042900 /nfs/dbraw/zinc/04/29/00/562042900.db2.gz NGEVXLYYUCTKSC-MHZLTWQESA-N 1 0 562.715 3.817 1 0 KHAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC000034804320 562043096 /nfs/dbraw/zinc/04/30/96/562043096.db2.gz DGMDLJBNPFXPTQ-ZEQRLZLVSA-N 1 0 623.598 3.957 1 0 KHAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC000034804323 562043092 /nfs/dbraw/zinc/04/30/92/562043092.db2.gz DGMDLJBNPFXPTQ-RPWUZVMVSA-N 1 0 623.598 3.957 1 0 KHAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC000034804328 562043044 /nfs/dbraw/zinc/04/30/44/562043044.db2.gz DGMDLJBNPFXPTQ-BJKOFHAPSA-N 1 0 623.598 3.957 1 0 KHAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC000034804332 562043234 /nfs/dbraw/zinc/04/32/34/562043234.db2.gz DGMDLJBNPFXPTQ-DNQXCXABSA-N 1 0 623.598 3.957 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)NCc4cc(Cl)ccc43)CC2)C1 ZINC000034804742 562043307 /nfs/dbraw/zinc/04/33/07/562043307.db2.gz MMZSAHKUNZFXRJ-DEOSSOPVSA-N 1 0 678.053 3.839 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)OCc4ccccc43)CC2)C1 ZINC000034804745 562043332 /nfs/dbraw/zinc/04/33/32/562043332.db2.gz BWPUFYABFXWBBF-XMMPIXPASA-N 1 0 644.592 3.612 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)OCc4ccccc43)CC2)C1 ZINC000034804749 562043315 /nfs/dbraw/zinc/04/33/15/562043315.db2.gz BWPUFYABFXWBBF-DEOSSOPVSA-N 1 0 644.592 3.612 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)OCc4ccccc43)CC2)C1 ZINC000034804782 562043318 /nfs/dbraw/zinc/04/33/18/562043318.db2.gz CPKFDNOZJRILFT-XMMPIXPASA-N 1 0 633.693 3.869 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)OCc4ccccc43)CC2)C1 ZINC000034804787 562043343 /nfs/dbraw/zinc/04/33/43/562043343.db2.gz CPKFDNOZJRILFT-DEOSSOPVSA-N 1 0 633.693 3.869 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804795 562043272 /nfs/dbraw/zinc/04/32/72/562043272.db2.gz SGSPOYZDDMQIAD-XMMPIXPASA-N 1 0 597.638 3.724 1 0 KHAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804800 562043328 /nfs/dbraw/zinc/04/33/28/562043328.db2.gz SGSPOYZDDMQIAD-DEOSSOPVSA-N 1 0 597.638 3.724 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4ccc(Cl)cc43)CC2)C1 ZINC000034804866 562043500 /nfs/dbraw/zinc/04/35/00/562043500.db2.gz SKERAAMRWSRRMF-HSZRJFAPSA-N 1 0 679.037 3.535 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4ccc(Cl)cc43)CC2)C1 ZINC000034804870 562043436 /nfs/dbraw/zinc/04/34/36/562043436.db2.gz SKERAAMRWSRRMF-QHCPKHFHSA-N 1 0 679.037 3.535 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CCC[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804880 562043464 /nfs/dbraw/zinc/04/34/64/562043464.db2.gz AQQPFFXUJNSVOS-UHFFFAOYSA-N 1 0 628.593 3.910 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4ccc(Cl)cc43)CC2)C1 ZINC000034804889 562043459 /nfs/dbraw/zinc/04/34/59/562043459.db2.gz PXKDEJBONDAVII-HSZRJFAPSA-N 1 0 668.138 3.791 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4ccc(Cl)cc43)CC2)C1 ZINC000034804891 562043446 /nfs/dbraw/zinc/04/34/46/562043446.db2.gz PXKDEJBONDAVII-QHCPKHFHSA-N 1 0 668.138 3.791 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3CCCc4ccccc43)CC2)C1 ZINC000034804894 562043476 /nfs/dbraw/zinc/04/34/76/562043476.db2.gz QGFWMCFQLODLJF-AREMUKBSSA-N 1 0 628.637 3.908 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3CCCc4ccccc43)CC2)C1 ZINC000034804896 562043492 /nfs/dbraw/zinc/04/34/92/562043492.db2.gz QGFWMCFQLODLJF-SANMLTNESA-N 1 0 628.637 3.908 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)CCc4ccccc43)CC2)C1 ZINC000034804928 562043440 /nfs/dbraw/zinc/04/34/40/562043440.db2.gz KJDYMUXDHOISCN-RUZDIDTESA-N 1 0 631.721 3.691 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)CCc4ccccc43)CC2)C1 ZINC000034804933 562043484 /nfs/dbraw/zinc/04/34/84/562043484.db2.gz KJDYMUXDHOISCN-VWLOTQADSA-N 1 0 631.721 3.691 1 0 KHAFRO Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)NCCC[NH+](C)C)cc2Cl)c(C)c1 ZINC000034817558 562043599 /nfs/dbraw/zinc/04/35/99/562043599.db2.gz OXTPSDDMJCCDJL-UHFFFAOYSA-N 1 0 516.071 3.653 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000034867370 562043798 /nfs/dbraw/zinc/04/37/98/562043798.db2.gz DKFCPXITENXQLV-RNYRYNLVSA-N 1 0 522.734 3.921 1 0 in-vitro KHAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCSCCC[NH2+]CCc1cccc(C(F)(F)F)c1)ccc2[O-] ZINC000034946179 562044107 /nfs/dbraw/zinc/04/41/07/562044107.db2.gz FKVLSJZELYFVGN-IBGZPJMESA-N 1 0 515.623 3.893 1 0 KHAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CCN(CC)C3=O)C2)CC1 ZINC000034946515 562044065 /nfs/dbraw/zinc/04/40/65/562044065.db2.gz VMBUAYWUULGJMP-MHZLTWQESA-N 1 0 511.692 3.982 1 0 KHAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)CC1 ZINC000034946517 562044061 /nfs/dbraw/zinc/04/40/61/562044061.db2.gz VMBUAYWUULGJMP-HHHXNRCGSA-N 1 0 511.692 3.982 1 0 KHAFRO CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CCN(C(C)C)C3=O)C2)CC1 ZINC000034946614 562044000 /nfs/dbraw/zinc/04/40/00/562044000.db2.gz MTMMBYUKMHJTRK-MHZLTWQESA-N 1 0 511.692 3.980 1 0 KHAFRO CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CCN(C(C)C)C3=O)C2)CC1 ZINC000034946616 562044033 /nfs/dbraw/zinc/04/40/33/562044033.db2.gz MTMMBYUKMHJTRK-HHHXNRCGSA-N 1 0 511.692 3.980 1 0 KHAFRO O=C(CCc1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000035050545 562044473 /nfs/dbraw/zinc/04/44/73/562044473.db2.gz WYSHZXGBFZDQRH-FQYQUSJJSA-N 1 0 507.030 3.936 1 0 KHAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)Cc5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000035050560 562044553 /nfs/dbraw/zinc/04/45/53/562044553.db2.gz FFDBZKOGLUZBID-FQYQUSJJSA-N 1 0 507.030 3.848 1 0 KHAFRO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCC[NH3+])CC2)c2ccccc12 ZINC000035242582 562044866 /nfs/dbraw/zinc/04/48/66/562044866.db2.gz SAAGNUZHTSXRHL-UHFFFAOYSA-N 1 0 522.671 3.799 1 0 KHAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)C3CC[NH+](C)CC3)nc2N)cc1I ZINC000035297948 562045128 /nfs/dbraw/zinc/04/51/28/562045128.db2.gz ZFBVCBBWNLSKLT-UHFFFAOYSA-N 1 0 525.391 3.868 1 0 KHAFRO Cc1cc(-c2cccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc12 ZINC000035803165 562045350 /nfs/dbraw/zinc/04/53/50/562045350.db2.gz PFHBGGIVIPCMIS-UHFFFAOYSA-N 1 0 522.606 3.963 1 0 KHAFRO COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)NCC[NH+](C)C)cc3)sc2n1 ZINC000035881706 562045645 /nfs/dbraw/zinc/04/56/45/562045645.db2.gz SNNHMOIYFKPOKT-HXUWFJFHSA-N 1 0 531.704 3.842 1 0 KHAFRO COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)NCC[NH+](C)C)cc3)sc2n1 ZINC000035881707 562045674 /nfs/dbraw/zinc/04/56/74/562045674.db2.gz SNNHMOIYFKPOKT-FQEVSTJZSA-N 1 0 531.704 3.842 1 0 KHAFRO O=C(C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089236 562046791 /nfs/dbraw/zinc/04/67/91/562046791.db2.gz HSHZHZBGDQDOAU-AREMUKBSSA-N 1 0 561.646 3.942 1 0 KHAFRO CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@@H+]2CC(N)=O)cc(C(C)=O)c1 ZINC000036093270 562047191 /nfs/dbraw/zinc/04/71/91/562047191.db2.gz BRTWZDQCGNRNRK-LVXARBLLSA-N 1 0 510.610 3.941 1 0 KHAFRO CCCC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000036188271 562050957 /nfs/dbraw/zinc/05/09/57/562050957.db2.gz TYOBVSWYHQVCEW-STVCLKQXSA-N 1 0 573.819 3.828 1 0 KHAFRO CS(=O)(=O)Nc1ccc(C[C@H]([NH3+])C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000036216162 562051240 /nfs/dbraw/zinc/05/12/40/562051240.db2.gz JARTXWOOWGRPPV-AHWVRZQESA-N 1 0 515.639 3.644 1 0 KHAFRO CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1 ZINC000036216282 562051323 /nfs/dbraw/zinc/05/13/23/562051323.db2.gz IOSGXZKTOLVOTQ-MHDHXZMLSA-N 1 0 610.759 3.873 1 0 in-vivo KHAFRO CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000036216373 562051313 /nfs/dbraw/zinc/05/13/13/562051313.db2.gz WUNPBVOUZWDDSI-HKBQPEDESA-N 1 0 540.708 3.980 1 0 KHAFRO CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000036216376 562051214 /nfs/dbraw/zinc/05/12/14/562051214.db2.gz WUNPBVOUZWDDSI-WJOKGBTCSA-N 1 0 540.708 3.980 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000036248200 562052321 /nfs/dbraw/zinc/05/23/21/562052321.db2.gz DKFCPXITENXQLV-JQYKHWSXSA-N 1 0 522.734 3.921 1 0 in-vitro KHAFRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](N)c2ccccc2)CC1 ZINC000036269914 562053062 /nfs/dbraw/zinc/05/30/62/562053062.db2.gz FSKFKMCMKZGDFB-VTOGGDPJSA-N 1 0 603.211 3.819 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCc2ccccc2F)CC1 ZINC000036284752 562053378 /nfs/dbraw/zinc/05/33/78/562053378.db2.gz CKRLLVWUKJKYBX-AREMUKBSSA-N 1 0 587.527 3.542 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)OCc2ccccc2)CC1 ZINC000036285057 562053809 /nfs/dbraw/zinc/05/38/09/562053809.db2.gz VZSUQMBNBXZYHX-AREMUKBSSA-N 1 0 613.546 3.540 1 0 KHAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Nc2ccccc2F)CC1 ZINC000036285062 562053805 /nfs/dbraw/zinc/05/38/05/562053805.db2.gz RWRBWLXELOBRDH-RUZDIDTESA-N 1 0 616.525 3.574 1 0 KHAFRO CC[NH+](CC)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CCCC1 ZINC000036285069 562053774 /nfs/dbraw/zinc/05/37/74/562053774.db2.gz NQKOOIJJWDMYSO-LOYHVIPDSA-N 1 0 580.217 3.881 1 0 KHAFRO CCOC[C@H](NC(=O)CC[NH3+])c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285395 562054068 /nfs/dbraw/zinc/05/40/68/562054068.db2.gz PMZCSLGFOHFIAB-QHCPKHFHSA-N 1 0 539.479 3.957 1 0 KHAFRO CCOC[C@@H](NC(=O)CC[NH3+])c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285398 562054100 /nfs/dbraw/zinc/05/41/00/562054100.db2.gz PMZCSLGFOHFIAB-HSZRJFAPSA-N 1 0 539.479 3.957 1 0 KHAFRO CC(C)Cc1nc(-c2ccc(OCCC[N@@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000036289067 562054803 /nfs/dbraw/zinc/05/48/03/562054803.db2.gz HBPZKGXSSLBHMF-HXUWFJFHSA-N 1 0 541.624 3.789 1 0 KHAFRO COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC[NH+](C)C)c4)c3n2)cc(OC)c1OC ZINC000036348630 562057677 /nfs/dbraw/zinc/05/76/77/562057677.db2.gz ZQIBEDNSJLQSCA-UHFFFAOYSA-N 1 0 518.618 3.800 1 0 KHAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC000036351474 562058339 /nfs/dbraw/zinc/05/83/39/562058339.db2.gz UFQHJBUUPWHGOJ-RPWUZVMVSA-N 1 0 518.580 3.637 1 0 KHAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)C1 ZINC000036351475 562058328 /nfs/dbraw/zinc/05/83/28/562058328.db2.gz UFQHJBUUPWHGOJ-ZEQRLZLVSA-N 1 0 518.580 3.637 1 0 KHAFRO CN(C(=O)c1ccc(-c2cncnc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351624 562058798 /nfs/dbraw/zinc/05/87/98/562058798.db2.gz NNJPSOJDLJHXGN-NSOVKSMOSA-N 1 0 512.658 3.707 1 0 KHAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCOCC5)C4)C3)s2)cc1 ZINC000036351768 562059227 /nfs/dbraw/zinc/05/92/27/562059227.db2.gz VUEKLYJDAQIFJI-YADHBBJMSA-N 1 0 512.676 3.533 1 0 KHAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCc3ccc(S(C)(=O)=O)cc3C2)CC1 ZINC000036351879 562059362 /nfs/dbraw/zinc/05/93/62/562059362.db2.gz MYEOJRGKSYQHCN-JOCHJYFZSA-N 1 0 537.101 3.912 1 0 KHAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCc3ccc(S(C)(=O)=O)cc3C2)CC1 ZINC000036351880 562059392 /nfs/dbraw/zinc/05/93/92/562059392.db2.gz MYEOJRGKSYQHCN-QFIPXVFZSA-N 1 0 537.101 3.912 1 0 KHAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCc3ccc(NS(C)(=O)=O)cc3C2)CC1 ZINC000036351904 562059312 /nfs/dbraw/zinc/05/93/12/562059312.db2.gz YTYIMMOQOXMONI-HSZRJFAPSA-N 1 0 552.116 3.880 1 0 KHAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCc3ccc(NS(C)(=O)=O)cc3C2)CC1 ZINC000036351905 562059433 /nfs/dbraw/zinc/05/94/33/562059433.db2.gz YTYIMMOQOXMONI-QHCPKHFHSA-N 1 0 552.116 3.880 1 0 KHAFRO CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351918 562059564 /nfs/dbraw/zinc/05/95/64/562059564.db2.gz CJUIALFFVKEFNM-HSZRJFAPSA-N 1 0 566.143 3.758 1 0 KHAFRO CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351919 562059542 /nfs/dbraw/zinc/05/95/42/562059542.db2.gz CJUIALFFVKEFNM-QHCPKHFHSA-N 1 0 566.143 3.758 1 0 KHAFRO Nn1c(=O)c2c(nc1SCCC[NH+]1CCN(c3ccc4ccccc4n3)CC1)sc1c2CCCC1 ZINC000036411872 562060565 /nfs/dbraw/zinc/06/05/65/562060565.db2.gz JIWMRJSKGUAANW-UHFFFAOYSA-N 1 0 506.701 3.903 1 0 KHAFRO CCNC(=O)c1cc2c(nc(N)nc2-c2cc(OCCN3CC[NH+](C)CC3)c(Cl)cc2Cl)s1 ZINC000037246106 562061599 /nfs/dbraw/zinc/06/15/99/562061599.db2.gz SLKZOEMCURKXSX-UHFFFAOYSA-N 1 0 509.463 3.623 1 0 KHAFRO CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000037868457 562062515 /nfs/dbraw/zinc/06/25/15/562062515.db2.gz GVTZNVAHOSYMTK-SZOBAZRNSA-N 1 0 669.680 3.826 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000037868458 562062503 /nfs/dbraw/zinc/06/25/03/562062503.db2.gz GVTZNVAHOSYMTK-ZMVGRULKSA-N 1 0 669.680 3.826 1 0 KHAFRO CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)(C)C ZINC000037868460 562062508 /nfs/dbraw/zinc/06/25/08/562062508.db2.gz QKIKHWOCEVLRKJ-QNWVGRARSA-N 1 0 669.680 3.826 1 0 KHAFRO CC(C)[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000037868463 562062504 /nfs/dbraw/zinc/06/25/04/562062504.db2.gz OLQGYESZUNMFCC-KMAVCZJNSA-N 1 0 705.724 3.986 1 0 KHAFRO C[NH+](C)C[C@@H]1CN(S(C)(=O)=O)c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1 ZINC000038149720 562066170 /nfs/dbraw/zinc/06/61/70/562066170.db2.gz RPLIABNAPYWRLH-GOSISDBHSA-N 1 0 531.059 3.856 1 0 KHAFRO C[NH+](C)C[C@H]1CN(S(C)(=O)=O)c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1 ZINC000038149721 562066132 /nfs/dbraw/zinc/06/61/32/562066132.db2.gz RPLIABNAPYWRLH-SFHVURJKSA-N 1 0 531.059 3.856 1 0 KHAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000038149845 562066283 /nfs/dbraw/zinc/06/62/83/562066283.db2.gz QYYXGFNZDHJZHM-HSZRJFAPSA-N 1 0 523.559 3.882 1 0 KHAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000038149846 562066333 /nfs/dbraw/zinc/06/63/33/562066333.db2.gz IDRSNFGXFNGOLW-HSZRJFAPSA-N 1 0 525.575 3.902 1 0 KHAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C1c2ccccc2Cc2ccccc21)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000038149847 562066270 /nfs/dbraw/zinc/06/62/70/562066270.db2.gz XKMVPWCJTXFTPM-XMMPIXPASA-N 1 0 537.586 3.806 1 0 KHAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(F)c2ccccc12)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000038149855 562066299 /nfs/dbraw/zinc/06/62/99/562066299.db2.gz PWXFOYLEAOMLCR-OAQYLSRUSA-N 1 0 503.500 3.676 1 0 KHAFRO COc1ccc2cc(C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCc3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000038149856 562066281 /nfs/dbraw/zinc/06/62/81/562066281.db2.gz WMRBATAWKBJPSS-JOCHJYFZSA-N 1 0 515.536 3.545 1 0 KHAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)Cc1csc2ccccc12)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000038149865 562066329 /nfs/dbraw/zinc/06/63/29/562066329.db2.gz LLBHPDXEHXTTCV-LJQANCHMSA-N 1 0 505.566 3.527 1 0 KHAFRO CC(C)CCN1CC[N@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150634 562066294 /nfs/dbraw/zinc/06/62/94/562066294.db2.gz YCZLRPWCDVKCFZ-RRPNLBNLSA-N 1 0 537.701 3.937 1 0 KHAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c21 ZINC000038151183 562066833 /nfs/dbraw/zinc/06/68/33/562066833.db2.gz FYTAWHRFZVJYPT-QHCPKHFHSA-N 1 0 559.667 3.767 1 0 KHAFRO CN(C)c1nsc(-c2ccc(N3CCC([NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)CC3)nn2)n1 ZINC000038153802 562067792 /nfs/dbraw/zinc/06/77/92/562067792.db2.gz OOHDOKLPRJPGQN-UHFFFAOYSA-N 1 0 518.613 3.871 1 0 KHAFRO CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000038156531 562068291 /nfs/dbraw/zinc/06/82/91/562068291.db2.gz ZWQVPYSLJDIXJY-UHFFFAOYSA-N 1 0 514.655 3.882 1 0 KHAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N3CCC([NH+]4CCCC4)CC3)cc2)C1 ZINC000038257873 562070749 /nfs/dbraw/zinc/07/07/49/562070749.db2.gz BBKPBJUGAUKECS-HHHXNRCGSA-N 1 0 518.637 3.624 1 0 KHAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCC[NH3+])c3Cl)c2n1 ZINC000038276288 562070826 /nfs/dbraw/zinc/07/08/26/562070826.db2.gz ZMNGVBVTZDZVLY-UHFFFAOYSA-N 1 0 525.458 3.561 1 0 KHAFRO CCC[C@H](OC)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000038384733 562071739 /nfs/dbraw/zinc/07/17/39/562071739.db2.gz KLPGONLPFCFALU-GOTSBHOMSA-N 1 0 508.585 3.724 1 0 KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 ZINC000038385806 562071724 /nfs/dbraw/zinc/07/17/24/562071724.db2.gz KKOODUKOFYPLGL-UIOOFZCWSA-N 1 0 527.587 3.930 1 0 KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@@H]3C(=CC=C[N@H+]3CCCO)C=C2)cc1 ZINC000038408242 562071852 /nfs/dbraw/zinc/07/18/52/562071852.db2.gz BSWXEYZBVSQHOV-QLWXXVCSSA-N 1 0 587.717 3.963 1 0 in-vitro KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@H]3C(=CC=C[N@H+]3CCCO)C=C2)cc1 ZINC000038408243 562071843 /nfs/dbraw/zinc/07/18/43/562071843.db2.gz BSWXEYZBVSQHOV-PPTMTGTBSA-N 1 0 587.717 3.963 1 0 in-vitro KHAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)Cc2ccccc2)c(C)c1 ZINC000038457528 562072026 /nfs/dbraw/zinc/07/20/26/562072026.db2.gz KKOODUKOFYPLGL-IZZNHLLZSA-N 1 0 527.587 3.930 1 0 KHAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc(Cl)c1)N(C)[C@H]2c1cccc(Cl)c1 ZINC000038578657 562072142 /nfs/dbraw/zinc/07/21/42/562072142.db2.gz MIZNBULCYIWDBH-OTLGMJNYSA-N 1 0 505.398 3.555 1 0 KHAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc(Cl)c1)N(C)[C@@H]2c1cccc(Cl)c1 ZINC000038578658 562072131 /nfs/dbraw/zinc/07/21/31/562072131.db2.gz MIZNBULCYIWDBH-YQXZIBMNSA-N 1 0 505.398 3.555 1 0 KHAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000038853153 562072402 /nfs/dbraw/zinc/07/24/02/562072402.db2.gz MUNCDYSDMHCDQC-YQXZIBMNSA-N 1 0 505.398 3.555 1 0 KHAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000040380498 562073393 /nfs/dbraw/zinc/07/33/93/562073393.db2.gz DUHSZCJERVXQPE-AHKZPQOWSA-N 1 0 513.594 3.790 1 0 KHAFRO CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)([C@@H]2CCCC[N@@H+]2C)CC1 ZINC000040391619 562073692 /nfs/dbraw/zinc/07/36/92/562073692.db2.gz IEXOGVRKQGANHX-FQEVSTJZSA-N 1 0 505.603 3.621 1 0 KHAFRO CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)([C@H]2CCCC[N@@H+]2C)CC1 ZINC000040391622 562073675 /nfs/dbraw/zinc/07/36/75/562073675.db2.gz IEXOGVRKQGANHX-HXUWFJFHSA-N 1 0 505.603 3.621 1 0 KHAFRO C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000040392750 562073864 /nfs/dbraw/zinc/07/38/64/562073864.db2.gz ZNZRFYPQHVCBOE-UHFFFAOYSA-N 1 0 504.974 3.772 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000040393240 562073905 /nfs/dbraw/zinc/07/39/05/562073905.db2.gz ZQSJJTDVDYTSRZ-RNWIMVQKSA-N 1 0 516.598 3.607 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000040393241 562073956 /nfs/dbraw/zinc/07/39/56/562073956.db2.gz ZQSJJTDVDYTSRZ-BTYSJIOQSA-N 1 0 516.598 3.607 1 0 KHAFRO COc1ccc(Cn2c(Br)c(Br)cc2C(=O)NCCCc2c[nH+]c(N)[nH]2)cc1 ZINC000040394784 562074332 /nfs/dbraw/zinc/07/43/32/562074332.db2.gz ISWQYWXRNFAUCR-UHFFFAOYSA-N 1 0 511.218 3.738 1 0 KHAFRO CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040394802 562074335 /nfs/dbraw/zinc/07/43/35/562074335.db2.gz RHTVFGOGZVVLBM-AREMUKBSSA-N 1 0 528.609 3.814 1 0 KHAFRO CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040394803 562074364 /nfs/dbraw/zinc/07/43/64/562074364.db2.gz RHTVFGOGZVVLBM-SANMLTNESA-N 1 0 528.609 3.814 1 0 KHAFRO COc1ccccc1Nc1nnc(-c2cc(C(F)(F)F)nn2-c2cccc(CNC(=O)[C@H](C)[NH3+])c2)o1 ZINC000040395822 562074572 /nfs/dbraw/zinc/07/45/72/562074572.db2.gz JHJFTIQINCAVTE-ZDUSSCGKSA-N 1 0 501.469 3.657 1 0 KHAFRO Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2ccccc2Br)c(C)c1 ZINC000040401823 562074564 /nfs/dbraw/zinc/07/45/64/562074564.db2.gz IGMUAHQVBFCVQW-UHFFFAOYSA-O 1 0 514.425 3.841 1 0 KHAFRO CC(C)Oc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1ccc(CNC(=O)[C@H](C)[NH3+])s1 ZINC000040405380 562074990 /nfs/dbraw/zinc/07/49/90/562074990.db2.gz DYQVXYYFTUKZJP-AWEZNQCLSA-N 1 0 509.554 3.633 1 0 KHAFRO CC[NH+]1CCN(c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C(F)(F)F)C[C@H]3C)c2)CC1 ZINC000040420547 562075664 /nfs/dbraw/zinc/07/56/64/562075664.db2.gz IYDCKVDSXPCRNQ-GOSISDBHSA-N 1 0 514.589 3.886 1 0 KHAFRO CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000040421668 562075697 /nfs/dbraw/zinc/07/56/97/562075697.db2.gz BRCVIAIMZSNCOG-DHGWECEMSA-N 1 0 504.602 3.636 1 0 KHAFRO CCN(CC(=O)N(C)Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)c1nc2ccccc2n1Cc1ccccc1 ZINC000040422882 562076034 /nfs/dbraw/zinc/07/60/34/562076034.db2.gz IVAABIRXQVPZLC-UHFFFAOYSA-N 1 0 508.626 3.555 1 0 KHAFRO O=C(c1nc2ccccc2n1Cc1ccccc1)N1CCC(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000040422934 562076137 /nfs/dbraw/zinc/07/61/37/562076137.db2.gz JTXJODQXRHMMBE-UHFFFAOYSA-N 1 0 508.626 3.681 1 0 KHAFRO COc1cc(C(=O)Nc2ccccc2-c2cn3cc(CN4CC[NH2+]CC4)sc3n2)cc(OC)c1OC ZINC000040423020 562076193 /nfs/dbraw/zinc/07/61/93/562076193.db2.gz UIBRJMAJCLPZTG-UHFFFAOYSA-N 1 0 507.616 3.746 1 0 KHAFRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000040457085 562077112 /nfs/dbraw/zinc/07/71/12/562077112.db2.gz VIKGOSVYIHJCQR-BVAGGSTKSA-N 1 0 507.642 3.774 1 0 KHAFRO C[C@H]1C[N@H+](C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000040457086 562077155 /nfs/dbraw/zinc/07/71/55/562077155.db2.gz VIKGOSVYIHJCQR-OZXSUGGESA-N 1 0 507.642 3.774 1 0 KHAFRO C[N@H+](CCO[C@@H](c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 ZINC000040466848 562077327 /nfs/dbraw/zinc/07/73/27/562077327.db2.gz VWGAFAHXMZKFNB-SANMLTNESA-N 1 0 531.700 3.710 1 0 KHAFRO C[N@H+](CCO[C@H](c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 ZINC000040466849 562077359 /nfs/dbraw/zinc/07/73/59/562077359.db2.gz VWGAFAHXMZKFNB-AREMUKBSSA-N 1 0 531.700 3.710 1 0 KHAFRO COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCC[NH+](C)C)c4)c3n2)cc(OC)c1OC ZINC000040565142 562077891 /nfs/dbraw/zinc/07/78/91/562077891.db2.gz WLXTYAWKCFZQKL-UHFFFAOYSA-N 1 0 518.618 3.800 1 0 KHAFRO COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)NCCC[NH+](C)C)c3n2)cc(OC)c1OC ZINC000040565154 562077927 /nfs/dbraw/zinc/07/79/27/562077927.db2.gz JNZYOMISLHATLT-UHFFFAOYSA-N 1 0 504.591 3.871 1 0 KHAFRO COc1ccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000040567287 562078176 /nfs/dbraw/zinc/07/81/76/562078176.db2.gz FZGHOAKEZKBLDJ-UHFFFAOYSA-N 1 0 532.110 3.685 1 0 KHAFRO CCO[C@]1(C)CC[N@@H+]2C[C@@]34C[C@@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000040724232 562079202 /nfs/dbraw/zinc/07/92/02/562079202.db2.gz VGSHAQPNELLPIN-NRDOIZLRSA-N 1 0 521.658 3.840 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000040861290 562080788 /nfs/dbraw/zinc/08/07/88/562080788.db2.gz LXGVFBXRKSCESU-LJAQVGFWSA-N 1 0 516.598 3.733 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000040861498 562080792 /nfs/dbraw/zinc/08/07/92/562080792.db2.gz PZUWUDNQJZKYRR-GDLZYMKVSA-N 1 0 516.598 3.733 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000040861500 562080811 /nfs/dbraw/zinc/08/08/11/562080811.db2.gz PZUWUDNQJZKYRR-LJAQVGFWSA-N 1 0 516.598 3.733 1 0 KHAFRO CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000040862670 562080902 /nfs/dbraw/zinc/08/09/02/562080902.db2.gz DGZFABMGTRRPRQ-GDLZYMKVSA-N 1 0 516.598 3.847 1 0 KHAFRO CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000040862672 562080889 /nfs/dbraw/zinc/08/08/89/562080889.db2.gz DGZFABMGTRRPRQ-LJAQVGFWSA-N 1 0 516.598 3.847 1 0 KHAFRO CCOP(=O)(CC[NH+]1CCN(CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000040863267 562081078 /nfs/dbraw/zinc/08/10/78/562081078.db2.gz LPJNVPKBCLZBHZ-NRFANRHFSA-N 1 0 536.610 3.668 1 0 KHAFRO Cc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2-c2ccc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)cc1 ZINC000040874010 562081780 /nfs/dbraw/zinc/08/17/80/562081780.db2.gz PNXPQZMNXZNIIY-PSWAGMNNSA-N 1 0 534.726 3.781 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC3(CCN(S(C)(=O)=O)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000040875098 562082005 /nfs/dbraw/zinc/08/20/05/562082005.db2.gz MEQWCAXCDAYHEV-RUZDIDTESA-N 1 0 539.746 3.619 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC3(CCN(S(C)(=O)=O)C[C@H]3c3ccccc3)CC2)CC1 ZINC000040875100 562082038 /nfs/dbraw/zinc/08/20/38/562082038.db2.gz MEQWCAXCDAYHEV-VWLOTQADSA-N 1 0 539.746 3.619 1 0 KHAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)CS(=O)(=O)c3ccccc3)cc2)C[C@H](C)[NH2+]1 ZINC000040876933 562082256 /nfs/dbraw/zinc/08/22/56/562082256.db2.gz OQGNJLWZKFTRPB-ZRZAMGCNSA-N 1 0 505.684 3.968 1 0 KHAFRO COc1cccc(-c2c(F)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000040877342 562082250 /nfs/dbraw/zinc/08/22/50/562082250.db2.gz OXPSFWNPDGNKGD-UHFFFAOYSA-N 1 0 524.543 3.721 1 0 KHAFRO Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2cccc(Br)c2)c(C)c1 ZINC000040878840 562082468 /nfs/dbraw/zinc/08/24/68/562082468.db2.gz FABVMONGQZFVFR-UHFFFAOYSA-O 1 0 514.425 3.841 1 0 KHAFRO Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2ccc(Br)cc2)c(C)c1 ZINC000040878843 562082443 /nfs/dbraw/zinc/08/24/43/562082443.db2.gz QAOAUSPEVNTMIF-UHFFFAOYSA-O 1 0 514.425 3.841 1 0 KHAFRO COCCOc1ccc2nc(C3(NC(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)CCOCC3)sc2c1 ZINC000040892289 562082751 /nfs/dbraw/zinc/08/27/51/562082751.db2.gz CHOHYHSFVOBJFY-MRXNPFEDSA-N 1 0 523.577 3.821 1 0 in-vivo KHAFRO O=C(/C=C/c1ccccc1Cl)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000040892665 562082898 /nfs/dbraw/zinc/08/28/98/562082898.db2.gz NAALUTWMVSSPHM-ODWVLBEOSA-N 1 0 507.030 3.808 1 0 KHAFRO CCOC(=O)N1CCC(Nc2nc(N3CCC([NH+]4CCCC4)CC3)nc3cc(OC)c(OC)cc32)CC1 ZINC000040892691 562082931 /nfs/dbraw/zinc/08/29/31/562082931.db2.gz YNWNEJNLAKQRGT-UHFFFAOYSA-N 1 0 512.655 3.744 1 0 KHAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000040895471 562083062 /nfs/dbraw/zinc/08/30/62/562083062.db2.gz RTJFGUXXVPALMF-JOCHJYFZSA-N 1 0 519.473 3.557 1 0 KHAFRO COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc2cc(CNC(=O)[C@H](C)[NH3+])oc21 ZINC000040914237 562083769 /nfs/dbraw/zinc/08/37/69/562083769.db2.gz PVFDWCOBVPZKGI-AWEZNQCLSA-N 1 0 515.492 3.539 1 0 KHAFRO CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000040914630 562083753 /nfs/dbraw/zinc/08/37/53/562083753.db2.gz QKILZCKYJGKJNE-NDEPHWFRSA-N 1 0 536.735 3.794 1 0 KHAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1ccc(CN3CCOCC3)cc1)C2 ZINC000040915013 562083849 /nfs/dbraw/zinc/08/38/49/562083849.db2.gz IVYWWOIAJZYOGG-HOMRVSDPSA-N 1 0 520.670 3.912 1 0 KHAFRO C[C@@H]1CN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)C[C@H](C)[N@H+]1C ZINC000040918024 562084192 /nfs/dbraw/zinc/08/41/92/562084192.db2.gz TZBBCVNTEOGGFB-UJUSGVOUSA-N 1 0 516.383 3.543 1 0 KHAFRO C[C@@H]1CN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)[C@@H](C)C[N@@H+]1C ZINC000040918164 562084171 /nfs/dbraw/zinc/08/41/71/562084171.db2.gz GYOIHPKEERLONR-QIXNDGFNSA-N 1 0 516.383 3.543 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2ccc3[nH]ccc3c2)C1 ZINC000040918999 562084482 /nfs/dbraw/zinc/08/44/82/562084482.db2.gz RLHHXPKOCQVXFH-YFNKSVMNSA-N 1 0 515.580 3.674 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2ccc3[nH]ccc3c2)C1 ZINC000040919001 562084487 /nfs/dbraw/zinc/08/44/87/562084487.db2.gz RLHHXPKOCQVXFH-GMKZXUHWSA-N 1 0 515.580 3.674 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2ccc(Cl)cc2)C1 ZINC000040919172 562084476 /nfs/dbraw/zinc/08/44/76/562084476.db2.gz SEHIFGQYCPBYRU-BHIFYINESA-N 1 0 510.988 3.846 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000040933441 562084566 /nfs/dbraw/zinc/08/45/66/562084566.db2.gz HJYMHTFRYBMHRW-VPUSJEBWSA-N 1 0 530.625 3.692 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000040933443 562084590 /nfs/dbraw/zinc/08/45/90/562084590.db2.gz HJYMHTFRYBMHRW-BDYUSTAISA-N 1 0 530.625 3.692 1 0 KHAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncc(C(N)=O)c2Nc1ccc(F)c(Cl)c1 ZINC000040933473 562084606 /nfs/dbraw/zinc/08/46/06/562084606.db2.gz YWVGLEXQTHLLMP-UHFFFAOYSA-N 1 0 501.990 3.895 1 0 KHAFRO COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000040934575 562084853 /nfs/dbraw/zinc/08/48/53/562084853.db2.gz CYOGHJXLSFPFGI-UHFFFAOYSA-N 1 0 501.990 3.895 1 0 KHAFRO CSc1ccc(CN[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935774 562085151 /nfs/dbraw/zinc/08/51/51/562085151.db2.gz IRFAACFLDYQOTR-AKIFATBCSA-N 1 0 522.637 3.914 1 0 KHAFRO CSc1ccc(CN[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935776 562085098 /nfs/dbraw/zinc/08/50/98/562085098.db2.gz IRFAACFLDYQOTR-ACIOBRDBSA-N 1 0 522.637 3.914 1 0 KHAFRO CSc1ccc(CN[C@@H]2C[C@H]([NH+](C)C)CC[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935778 562085073 /nfs/dbraw/zinc/08/50/73/562085073.db2.gz IRFAACFLDYQOTR-YMPZKCBVSA-N 1 0 522.637 3.914 1 0 KHAFRO CSc1ccc(CN[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935783 562085084 /nfs/dbraw/zinc/08/50/84/562085084.db2.gz IRFAACFLDYQOTR-MDNUFGMLSA-N 1 0 522.637 3.914 1 0 KHAFRO CCCC[C@@H]1CN(S(C)(=O)=O)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040935950 562085077 /nfs/dbraw/zinc/08/50/77/562085077.db2.gz PPDOJLDYDRQHCV-HSZRJFAPSA-N 1 0 519.756 3.642 1 0 KHAFRO CCCC[C@H]1CN(S(C)(=O)=O)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040935952 562085079 /nfs/dbraw/zinc/08/50/79/562085079.db2.gz PPDOJLDYDRQHCV-QHCPKHFHSA-N 1 0 519.756 3.642 1 0 KHAFRO COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1 ZINC000040936555 562085216 /nfs/dbraw/zinc/08/52/16/562085216.db2.gz GKRKKPGYGQZJMG-JTOILGAVSA-N 1 0 501.627 3.640 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000040943538 562085776 /nfs/dbraw/zinc/08/57/76/562085776.db2.gz FCFJDQLUNGAMFM-UHFFFAOYSA-N 1 0 524.843 3.673 1 0 KHAFRO Cc1cc(C(=O)Nc2ccc(C[NH+](CCO)CCO)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040952703 562086294 /nfs/dbraw/zinc/08/62/94/562086294.db2.gz QBRYSHIEMYJCJM-UHFFFAOYSA-N 1 0 515.054 3.967 1 0 KHAFRO C[N@H+](Cc1cccnc1)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040955228 562086549 /nfs/dbraw/zinc/08/65/49/562086549.db2.gz PLHLUTRXYOYAMQ-UHFFFAOYSA-N 1 0 515.643 4.538 1 0 KHAFRO CSc1ccccc1N1CC[NH+](CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1 ZINC000040957034 562086756 /nfs/dbraw/zinc/08/67/56/562086756.db2.gz DINBMKNNYLFNIR-UHFFFAOYSA-N 1 0 505.706 3.746 1 0 in-vitro KHAFRO CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000040957517 562086713 /nfs/dbraw/zinc/08/67/13/562086713.db2.gz SCDFUEMRXCQRSO-NGQVCNFZSA-N 1 0 530.625 3.997 1 0 KHAFRO CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000040957520 562086741 /nfs/dbraw/zinc/08/67/41/562086741.db2.gz SCDFUEMRXCQRSO-HLADLETHSA-N 1 0 530.625 3.997 1 0 KHAFRO O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH+]1CCCC1 ZINC000042802904 562087969 /nfs/dbraw/zinc/08/79/69/562087969.db2.gz MDDQRAJLMQEBLI-GOSISDBHSA-N 1 0 621.465 3.918 1 0 KHAFRO O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C[NH+]1CCCC1 ZINC000042802909 562087976 /nfs/dbraw/zinc/08/79/76/562087976.db2.gz MDDQRAJLMQEBLI-SFHVURJKSA-N 1 0 621.465 3.918 1 0 KHAFRO CCCN1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000042803653 562088308 /nfs/dbraw/zinc/08/83/08/562088308.db2.gz INPOAGGWPPCRMS-BJKOFHAPSA-N 1 0 594.704 3.667 1 0 KHAFRO CCCN1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000042803658 562088379 /nfs/dbraw/zinc/08/83/79/562088379.db2.gz INPOAGGWPPCRMS-DNQXCXABSA-N 1 0 594.704 3.667 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000042804648 562088867 /nfs/dbraw/zinc/08/88/67/562088867.db2.gz ZGQKSMPCUKUAAB-UHFFFAOYSA-N 1 0 583.133 3.843 1 0 KHAFRO COC(=O)[C@@H]1C/C=C/Cc2ccc3c(c2)c2cc(ccc2n3C(=O)OC(C)(C)C)[C@H](NC(C)=O)C(=O)N[C@H](CCCC[NH3+])C(=O)N1 ZINC000042804990 562088987 /nfs/dbraw/zinc/08/89/87/562088987.db2.gz GUSNTQNREVCFJW-RBHURNITSA-N 1 0 633.746 3.529 1 0 KHAFRO Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2c(F)c(F)c(F)c(F)c2F)c(C)c1 ZINC000042805911 581091373 /nfs/dbraw/zinc/09/13/73/581091373.db2.gz NGOHYVFQZPROBG-UHFFFAOYSA-O 1 0 525.479 3.774 1 0 KHAFRO CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CCc2ccccc2)[C@H]1O5 ZINC000042806438 562089683 /nfs/dbraw/zinc/08/96/83/562089683.db2.gz YUQGCBAHIKMCSJ-LTMDYEENSA-N 1 0 526.633 3.922 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000042807073 562090039 /nfs/dbraw/zinc/09/00/39/562090039.db2.gz HQPPDOGMWPBBMG-AREMUKBSSA-N 1 0 623.198 3.860 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000042807078 562090054 /nfs/dbraw/zinc/09/00/54/562090054.db2.gz HQPPDOGMWPBBMG-SANMLTNESA-N 1 0 623.198 3.860 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)c1cccc2ccccc21 ZINC000042807171 562090062 /nfs/dbraw/zinc/09/00/62/562090062.db2.gz RTSPBNBHESYTTF-XTEPFMGCSA-N 1 0 520.589 3.581 1 0 KHAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(C)S(=O)(=O)CC2 ZINC000042807978 581091743 /nfs/dbraw/zinc/09/17/43/581091743.db2.gz MZZUETJXSRAUTC-XTEPFMGCSA-N 1 0 552.741 3.608 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000042852525 581095563 /nfs/dbraw/zinc/09/55/63/581095563.db2.gz JOHHONWRDYKZMW-PSRPIYIESA-N 1 0 524.665 3.663 1 0 KHAFRO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)CN(C)C)CCC2 ZINC000042876225 581097332 /nfs/dbraw/zinc/09/73/32/581097332.db2.gz JFJRYQOFIDFJKY-UHFFFAOYSA-N 1 0 532.580 3.533 1 0 KHAFRO C[C@@H](NC(=O)c1cc2c(c(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C3CC3)c1)CCCO2)c1ccccc1 ZINC000042877526 581096322 /nfs/dbraw/zinc/09/63/22/581096322.db2.gz HQIFKDQCICONGY-SPTGULJVSA-N 1 0 527.665 3.957 1 0 KHAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(C)S(=O)(=O)C2 ZINC000042963415 581091824 /nfs/dbraw/zinc/09/18/24/581091824.db2.gz JFEIECKPYMIBAC-AHKZPQOWSA-N 1 0 538.714 3.565 1 0 KHAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CC(N2CCCOCC2)C1 ZINC000043062022 562645219 /nfs/dbraw/zinc/64/52/19/562645219.db2.gz SGJZGUFWKZGFBS-UHFFFAOYSA-N 1 0 505.585 3.577 1 0 KHAFRO CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000043065145 562645345 /nfs/dbraw/zinc/64/53/45/562645345.db2.gz YWWJGAYIUGBLMJ-UHFFFAOYSA-N 1 0 526.645 3.918 1 0 KHAFRO CC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4cccnc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000043070530 562645514 /nfs/dbraw/zinc/64/55/14/562645514.db2.gz HEIFZPPVVBPBQN-UHFFFAOYSA-N 1 0 512.618 3.520 1 0 KHAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cccc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000043101477 562645948 /nfs/dbraw/zinc/64/59/48/562645948.db2.gz YBLZDNSYXSHJJF-SSEXGKCCSA-N 1 0 621.841 3.930 1 0 KHAFRO CC[NH+](CC)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1 ZINC000043152353 562646394 /nfs/dbraw/zinc/64/63/94/562646394.db2.gz UKQMXAXNUVODBZ-UHFFFAOYSA-N 1 0 563.164 3.901 1 0 KHAFRO CCN1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000043194671 562646741 /nfs/dbraw/zinc/64/67/41/562646741.db2.gz TVENGSGQLJMALI-UHFFFAOYSA-N 1 0 522.654 3.609 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000043195318 562646724 /nfs/dbraw/zinc/64/67/24/562646724.db2.gz UNXQGBMZYKHQCO-NVHWNKAKSA-N 1 0 552.474 3.742 1 0 KHAFRO CCOC(=O)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000043197114 562646824 /nfs/dbraw/zinc/64/68/24/562646824.db2.gz YXBDCYDMXMSFAK-JRLVAEJTSA-N 1 0 580.673 3.581 1 0 KHAFRO OCc1cc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)ccc1O ZINC000043197309 562646804 /nfs/dbraw/zinc/64/68/04/562646804.db2.gz KYYMUHCVQBBYFP-NRFANRHFSA-N 1 0 506.628 3.555 1 0 in-vivo KHAFRO OCc1cc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)ccc1O ZINC000043197310 562646819 /nfs/dbraw/zinc/64/68/19/562646819.db2.gz KYYMUHCVQBBYFP-OAQYLSRUSA-N 1 0 506.628 3.555 1 0 in-vivo KHAFRO CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000043197872 562646797 /nfs/dbraw/zinc/64/67/97/562646797.db2.gz KACGVJVQLHBXRV-SANMLTNESA-N 1 0 513.664 3.768 1 0 KHAFRO Oc1cncc(-c2nc3c(ncn3C3CC[NH+](Cc4ccc(Cl)cc4)CC3)c(N3CCOCC3)n2)c1 ZINC000043204095 562647017 /nfs/dbraw/zinc/64/70/17/562647017.db2.gz GSFVUGVRHJRWKP-UHFFFAOYSA-N 1 0 506.010 3.921 1 0 KHAFRO C[NH+]1CCN(c2nc3cc(Cl)c(Br)cc3c(NCCS(=O)(=O)Nc3ccccc3)n2)CC1 ZINC000043206538 562647099 /nfs/dbraw/zinc/64/70/99/562647099.db2.gz WYDQCLHCTPMJAY-UHFFFAOYSA-N 1 0 539.887 3.651 1 0 KHAFRO CCCC[N@H+](C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 ZINC000043207551 562647080 /nfs/dbraw/zinc/64/70/80/562647080.db2.gz ZFRNKMPBRDUJTK-VWLOTQADSA-N 1 0 524.662 3.663 1 0 KHAFRO CCc1cc(C[N@H+](C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 ZINC000043207554 562647101 /nfs/dbraw/zinc/64/71/01/562647101.db2.gz KHSWQSGTWGVPLE-SANMLTNESA-N 1 0 538.689 3.773 1 0 KHAFRO CCCC1=C(C(=O)OCc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 ZINC000043323394 562647839 /nfs/dbraw/zinc/64/78/39/562647839.db2.gz GQXHYAUWZFEPSQ-NDEPHWFRSA-N 1 0 547.700 3.514 1 0 KHAFRO CCCC1=C(C(=O)OCc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 ZINC000043323397 562647821 /nfs/dbraw/zinc/64/78/21/562647821.db2.gz GQXHYAUWZFEPSQ-MUUNZHRXSA-N 1 0 547.700 3.514 1 0 KHAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H]([NH3+])C(=O)[C@]12C ZINC000043511624 562648800 /nfs/dbraw/zinc/64/88/00/562648800.db2.gz JSGYIUAILZIFSK-IBJFPTGSSA-N 1 0 519.679 3.824 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cccc(Cl)c3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523631 562648869 /nfs/dbraw/zinc/64/88/69/562648869.db2.gz PLTKJMXLRXTDNI-MUUNZHRXSA-N 1 0 566.012 3.625 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cccc(Cl)c3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523634 562648834 /nfs/dbraw/zinc/64/88/34/562648834.db2.gz PLTKJMXLRXTDNI-NDEPHWFRSA-N 1 0 566.012 3.625 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523761 562648822 /nfs/dbraw/zinc/64/88/22/562648822.db2.gz FNRVKCXKVWNQQF-MUUNZHRXSA-N 1 0 610.463 3.734 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523764 562648865 /nfs/dbraw/zinc/64/88/65/562648865.db2.gz FNRVKCXKVWNQQF-NDEPHWFRSA-N 1 0 610.463 3.734 1 0 KHAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]([NH3+])[C@@H](O)[C@]12C ZINC000043524056 562648882 /nfs/dbraw/zinc/64/88/82/562648882.db2.gz SRTPDOZQJRZKAD-ZZZAJIALSA-N 1 0 521.695 3.616 1 0 KHAFRO CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000043524418 562649048 /nfs/dbraw/zinc/64/90/48/562649048.db2.gz GMTZWCDIHQYXND-MPFGFTFXSA-N 1 0 548.703 3.626 1 0 KHAFRO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccc(C[NH3+])cc4[nH]3)[C@H]2SC1 ZINC000043628360 562650338 /nfs/dbraw/zinc/65/03/38/562650338.db2.gz RPZHMMFWENGRPE-VAVYLYDRSA-N 1 0 583.670 3.867 1 0 KHAFRO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccc(C[NH3+])cc4[nH]3)[C@@H]2SC1 ZINC000043628362 562650334 /nfs/dbraw/zinc/65/03/34/562650334.db2.gz RPZHMMFWENGRPE-IRPSRAIASA-N 1 0 583.670 3.867 1 0 KHAFRO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4c(cccc4N)[nH+]3)[C@H]2SC1 ZINC000043641085 562650513 /nfs/dbraw/zinc/65/05/13/562650513.db2.gz IXYXZRWTNACRFO-UFHPHHKVSA-N 1 0 569.643 3.991 1 0 KHAFRO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4c(cccc4N)[nH+]3)[C@@H]2SC1 ZINC000043641086 562650537 /nfs/dbraw/zinc/65/05/37/562650537.db2.gz IXYXZRWTNACRFO-YWEHKCAJSA-N 1 0 569.643 3.991 1 0 KHAFRO CSC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000043888597 562651099 /nfs/dbraw/zinc/65/10/99/562651099.db2.gz MATDMESVLVWDAX-XJYHXZFBSA-N 1 0 619.832 3.554 1 0 KHAFRO [NH3+][C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000044018504 562651529 /nfs/dbraw/zinc/65/15/29/562651529.db2.gz IQYCJPHSUQGWMT-YPKYBTACSA-N 1 0 564.730 3.953 1 0 KHAFRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000044018506 562651518 /nfs/dbraw/zinc/65/15/18/562651518.db2.gz IQYCJPHSUQGWMT-OLUZHXLYSA-N 1 0 564.730 3.953 1 0 KHAFRO CCC[C@H](NC(=O)[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1([NH3+])CCCCC1)C(=O)c1nnc(-c2ccco2)o1 ZINC000044031801 562651589 /nfs/dbraw/zinc/65/15/89/562651589.db2.gz XQNARHBXPKVMJL-AZUAARDMSA-N 1 0 605.570 3.725 1 0 KHAFRO CCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1([NH3+])CCCCC1)C(=O)c1nnc(-c2ccco2)o1 ZINC000044031803 562651641 /nfs/dbraw/zinc/65/16/41/562651641.db2.gz XQNARHBXPKVMJL-ICSRJNTNSA-N 1 0 605.570 3.725 1 0 KHAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(N)=[NH2+])CC4)c3Cl)c2n1 ZINC000044032013 562651722 /nfs/dbraw/zinc/65/17/22/562651722.db2.gz WQRQEGNSDKOBDW-UHFFFAOYSA-N 1 0 593.537 3.524 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(OC(F)(F)F)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044032199 562651776 /nfs/dbraw/zinc/65/17/76/562651776.db2.gz RNFATFZGVOBTHR-MUUNZHRXSA-N 1 0 615.563 3.870 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(OC(F)(F)F)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044032201 562651803 /nfs/dbraw/zinc/65/18/03/562651803.db2.gz RNFATFZGVOBTHR-NDEPHWFRSA-N 1 0 615.563 3.870 1 0 KHAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H]([NH3+])[C@H](O)[C@]12C ZINC000044052491 562651825 /nfs/dbraw/zinc/65/18/25/562651825.db2.gz SRTPDOZQJRZKAD-RCGWCNTISA-N 1 0 521.695 3.616 1 0 KHAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH3+])c3Cl)c2n1 ZINC000044052516 562651813 /nfs/dbraw/zinc/65/18/13/562651813.db2.gz OFTYUWNPPSXCOW-UHFFFAOYSA-N 1 0 539.485 3.951 1 0 KHAFRO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c(Cl)c1 ZINC000044052945 562651874 /nfs/dbraw/zinc/65/18/74/562651874.db2.gz IAPSYHJTUIPXGA-SSEXGKCCSA-N 1 0 608.049 3.768 1 0 KHAFRO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c(Cl)c1 ZINC000044052948 562651877 /nfs/dbraw/zinc/65/18/77/562651877.db2.gz IAPSYHJTUIPXGA-PMERELPUSA-N 1 0 608.049 3.768 1 0 KHAFRO CC(C)c1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044053033 562651925 /nfs/dbraw/zinc/65/19/25/562651925.db2.gz WDFWFHWOJIBFJC-JGCGQSQUSA-N 1 0 601.658 3.930 1 0 KHAFRO CC(C)c1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044053037 562651928 /nfs/dbraw/zinc/65/19/28/562651928.db2.gz WDFWFHWOJIBFJC-YTTGMZPUSA-N 1 0 601.658 3.930 1 0 KHAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000044053257 562651956 /nfs/dbraw/zinc/65/19/56/562651956.db2.gz VCSIENKDDXQEJE-OLUZHXLYSA-N 1 0 564.730 3.871 1 0 KHAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000044053260 562651991 /nfs/dbraw/zinc/65/19/91/562651991.db2.gz VCSIENKDDXQEJE-YPKYBTACSA-N 1 0 564.730 3.871 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1 ZINC000044053286 562651964 /nfs/dbraw/zinc/65/19/64/562651964.db2.gz YFSQZKVPESKTJY-UHFFFAOYSA-N 1 0 541.494 3.738 1 0 KHAFRO [NH3+]CCCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000044053313 562651963 /nfs/dbraw/zinc/65/19/63/562651963.db2.gz ZQBBAKLQQOMQCT-IHLOFXLRSA-N 1 0 552.719 3.858 1 0 KHAFRO CC(C)C(=O)N[C@H]1CC[C@@]23C[C@@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3[C@]1(C)CO ZINC000044086679 562652242 /nfs/dbraw/zinc/65/22/42/562652242.db2.gz PZQLEQUEGAJQMS-VFYNREAWSA-N 1 0 502.740 3.639 1 0 KHAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000044265448 562652796 /nfs/dbraw/zinc/65/27/96/562652796.db2.gz VLSDDGCFLCBZQT-JSOSNVBQSA-N 1 0 564.730 3.825 1 0 KHAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CC[NH2+]CC4)c3Cl)c2n1 ZINC000044280174 562652783 /nfs/dbraw/zinc/65/27/83/562652783.db2.gz QAWTWBREVZHCMM-UHFFFAOYSA-N 1 0 551.496 3.918 1 0 KHAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000044281311 562653075 /nfs/dbraw/zinc/65/30/75/562653075.db2.gz DOOIVPFLMBQFDW-UHFFFAOYSA-N 1 0 583.133 3.842 1 0 KHAFRO COc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)c1 ZINC000044305486 562653478 /nfs/dbraw/zinc/65/34/78/562653478.db2.gz NYSGAMHGGAMWAH-WJOKGBTCSA-N 1 0 604.792 3.720 1 0 KHAFRO CCc1ccc(Cn2ncn(-c3ccc(C[N@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044306160 562653676 /nfs/dbraw/zinc/65/36/76/562653676.db2.gz WMWOIGFYXLMFRP-SSEXGKCCSA-N 1 0 559.621 3.534 1 0 KHAFRO CCc1ccc(Cn2ncn(-c3ccc(C[N@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044306164 562653687 /nfs/dbraw/zinc/65/36/87/562653687.db2.gz WMWOIGFYXLMFRP-PMERELPUSA-N 1 0 559.621 3.534 1 0 KHAFRO CCOc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000044306205 562653670 /nfs/dbraw/zinc/65/36/70/562653670.db2.gz XASVUKBSHRZYMG-UHFFFAOYSA-N 1 0 611.187 3.717 1 0 KHAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O ZINC000044306236 562653663 /nfs/dbraw/zinc/65/36/63/562653663.db2.gz GGYYGVOSHKQLBY-VEEOACQBSA-N 1 0 565.718 3.984 1 0 KHAFRO [NH3+]CCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O ZINC000044306813 562653867 /nfs/dbraw/zinc/65/38/67/562653867.db2.gz VPFMPCPGTRRGMV-VEEOACQBSA-N 1 0 565.718 3.637 1 0 KHAFRO CCCC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044307894 562654140 /nfs/dbraw/zinc/65/41/40/562654140.db2.gz RNRDLRIAZBSTGX-RUZDIDTESA-N 1 0 585.819 3.805 1 0 KHAFRO CCCC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044307897 562654150 /nfs/dbraw/zinc/65/41/50/562654150.db2.gz RNRDLRIAZBSTGX-VWLOTQADSA-N 1 0 585.819 3.805 1 0 KHAFRO O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000044307911 562654142 /nfs/dbraw/zinc/65/41/42/562654142.db2.gz WUQAXDTXXDUDGH-UHSQPCAPSA-N 1 0 572.662 3.788 1 0 KHAFRO O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000044307915 562654133 /nfs/dbraw/zinc/65/41/33/562654133.db2.gz WUQAXDTXXDUDGH-WNJJXGMVSA-N 1 0 572.662 3.788 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044350797 562654344 /nfs/dbraw/zinc/65/43/44/562654344.db2.gz XFTOWNWQVDHKFQ-AREMUKBSSA-N 1 0 623.198 3.860 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044350801 562654367 /nfs/dbraw/zinc/65/43/67/562654367.db2.gz XFTOWNWQVDHKFQ-SANMLTNESA-N 1 0 623.198 3.860 1 0 KHAFRO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)CCN1CC[NH+](C(C)C)CC1)CC2 ZINC000044351173 562654540 /nfs/dbraw/zinc/65/45/40/562654540.db2.gz IRAGSKPXCRLVGU-UHFFFAOYSA-N 1 0 615.714 3.997 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCCCN2C(=O)c3cccc4c(N)ccc(c43)C2=O)CC1 ZINC000044351451 562654668 /nfs/dbraw/zinc/65/46/68/562654668.db2.gz CJQFLHKXINHNKQ-UHFFFAOYSA-N 1 0 622.122 3.870 1 0 KHAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000044351679 562654814 /nfs/dbraw/zinc/65/48/14/562654814.db2.gz ZYROAUZQPCKYEC-UHFFFAOYSA-N 1 0 611.187 3.717 1 0 KHAFRO CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](C)[NH3+])CC1 ZINC000044352267 562655110 /nfs/dbraw/zinc/65/51/10/562655110.db2.gz MJAIWXAOAFNJHI-FDDCHVKYSA-N 1 0 535.516 3.724 1 0 KHAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccc2ccccc2c1 ZINC000044358211 562655271 /nfs/dbraw/zinc/65/52/71/562655271.db2.gz XENUKVRWXVFLTR-MPFGFTFXSA-N 1 0 536.694 3.515 1 0 KHAFRO CCC[C@](C)(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000044359285 562655453 /nfs/dbraw/zinc/65/54/53/562655453.db2.gz YITZPDPKIYHCPP-KCWPFWIISA-N 1 0 535.516 3.726 1 0 KHAFRO CCC[C@@](C)(O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000044359290 562655457 /nfs/dbraw/zinc/65/54/57/562655457.db2.gz YITZPDPKIYHCPP-YIXXDRMTSA-N 1 0 535.516 3.726 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000044360310 562655617 /nfs/dbraw/zinc/65/56/17/562655617.db2.gz PKMPPUBHPJPCRL-WUFINQPMSA-N 1 0 542.746 3.673 1 0 KHAFRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000044361186 562655706 /nfs/dbraw/zinc/65/57/06/562655706.db2.gz ALNRFOVHAVBGIH-QHCPKHFHSA-N 1 0 544.645 3.556 1 0 KHAFRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000044361194 562655705 /nfs/dbraw/zinc/65/57/05/562655705.db2.gz ALNRFOVHAVBGIH-HSZRJFAPSA-N 1 0 544.645 3.556 1 0 KHAFRO C[NH+](C)CCN1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000044386365 562655858 /nfs/dbraw/zinc/65/58/58/562655858.db2.gz HZEYWTNTZWWJCB-UHFFFAOYSA-N 1 0 533.840 3.894 1 0 KHAFRO C[C@@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(C(N)=O)cc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000044387154 562656050 /nfs/dbraw/zinc/65/60/50/562656050.db2.gz WOESTKMBLIBAII-SZPZYZBQSA-N 1 0 526.685 3.746 1 0 KHAFRO [NH3+]CCCC[C@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O ZINC000044387302 562656086 /nfs/dbraw/zinc/65/60/86/562656086.db2.gz FGKNVWQWKFERAE-PQHLKRTFSA-N 1 0 551.691 3.594 1 0 KHAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000044387853 562656205 /nfs/dbraw/zinc/65/62/05/562656205.db2.gz XMCIIUVWOCNDSA-HSZRJFAPSA-N 1 0 533.500 3.947 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3[S@](C)=O)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000044403927 562656331 /nfs/dbraw/zinc/65/63/31/562656331.db2.gz NPMFKHYWGYDAQH-ONHHHMAZSA-N 1 0 539.604 3.758 1 0 KHAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3[S@@](C)=O)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000044403931 562656336 /nfs/dbraw/zinc/65/63/36/562656336.db2.gz NPMFKHYWGYDAQH-PZLZPRKGSA-N 1 0 539.604 3.758 1 0 KHAFRO CC[NH+](CC)CC(=O)N1CCc2cc(OC)c(Nc3nc4[nH]ccc4c(Nc4cccc(F)c4C(N)=O)n3)cc21 ZINC000044404860 562656561 /nfs/dbraw/zinc/65/65/61/562656561.db2.gz ASLJKKCVGZGUQJ-UHFFFAOYSA-N 1 0 546.607 3.923 1 0 KHAFRO CC[N@H+](C)CC(=O)N1CCc2cc(OC)c(Nc3nc4[nH]ccc4c(Nc4cccc(F)c4C(N)=O)n3)cc21 ZINC000044404977 562656555 /nfs/dbraw/zinc/65/65/55/562656555.db2.gz BYCKMIYPESNKTL-UHFFFAOYSA-N 1 0 532.580 3.533 1 0 KHAFRO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)CC[NH+](C)C)CCC2 ZINC000044405202 562656631 /nfs/dbraw/zinc/65/66/31/562656631.db2.gz RLJRJTRUMLEXST-UHFFFAOYSA-N 1 0 546.607 3.923 1 0 KHAFRO COC(=O)C[C@](O)(CCCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000044405248 562656610 /nfs/dbraw/zinc/65/66/10/562656610.db2.gz DRSNAXRLOVPLKQ-SHHHLKPLSA-N 1 0 543.657 3.856 1 0 KHAFRO O=C([C@H](c1ccc(F)c(F)c1)n1cccn1)N(CCF)CCC[NH+]1CCC2(CC1)OCc1cc(F)ncc12 ZINC000044405894 562656741 /nfs/dbraw/zinc/65/67/41/562656741.db2.gz RIBRPOBHPDSMOR-VWLOTQADSA-N 1 0 531.554 3.995 1 0 KHAFRO O=C([C@@H](c1ccc(F)c(F)c1)n1cccn1)N(CCF)CCC[NH+]1CCC2(CC1)OCc1cc(F)ncc12 ZINC000044405898 562656732 /nfs/dbraw/zinc/65/67/32/562656732.db2.gz RIBRPOBHPDSMOR-RUZDIDTESA-N 1 0 531.554 3.995 1 0 KHAFRO CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000044406284 562656798 /nfs/dbraw/zinc/65/67/98/562656798.db2.gz RQOLDEOLODYRCM-SSEXGKCCSA-N 1 0 545.640 3.908 1 0 KHAFRO CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000044406288 562656814 /nfs/dbraw/zinc/65/68/14/562656814.db2.gz RQOLDEOLODYRCM-PMERELPUSA-N 1 0 545.640 3.908 1 0 KHAFRO CC(=O)O[C@]12CC[C@@H](NC(=O)/C=C/c3ccccc3)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000044417015 562657007 /nfs/dbraw/zinc/65/70/07/562657007.db2.gz OSVAKAHPJDCGIG-KAPPCOJISA-N 1 0 514.622 3.725 1 0 KHAFRO C[NH2+]CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(=O)CC(C)C)CC1 ZINC000044417116 562657074 /nfs/dbraw/zinc/65/70/74/562657074.db2.gz RRLXEAHHAHOECV-HSZRJFAPSA-N 1 0 533.500 3.818 1 0 KHAFRO C[NH2+]CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044418009 562657243 /nfs/dbraw/zinc/65/72/43/562657243.db2.gz AXBQVTBYSIEJPU-NOZRDPDXSA-N 1 0 535.516 3.668 1 0 KHAFRO C[NH2+]CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044418013 562657230 /nfs/dbraw/zinc/65/72/30/562657230.db2.gz AXBQVTBYSIEJPU-ILBGXUMGSA-N 1 0 535.516 3.668 1 0 KHAFRO COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CC[NH2+]CC5)c(Cl)c4=O)c3C)cc2)cn1 ZINC000044418871 562657371 /nfs/dbraw/zinc/65/73/71/562657371.db2.gz QIRVZVCPNDJFQS-UHFFFAOYSA-N 1 0 545.043 3.986 1 0 KHAFRO Cc1c(Cn2ncc(N3CC[NH2+]CC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1 ZINC000044418875 562657392 /nfs/dbraw/zinc/65/73/92/562657392.db2.gz BOUOJMVWXKOEJX-UHFFFAOYSA-N 1 0 557.054 3.681 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O ZINC000044419101 562657406 /nfs/dbraw/zinc/65/74/06/562657406.db2.gz GSYDLODTKWENBK-UZYJKHRNSA-N 1 0 530.713 3.675 1 0 KHAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc2c1CCCO2)c1ccccc1 ZINC000044430363 562657479 /nfs/dbraw/zinc/65/74/79/562657479.db2.gz QVCPGZYJEIDVFT-SPTGULJVSA-N 1 0 527.665 3.957 1 0 KHAFRO C[C@H]([NH3+])C(=O)NCc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2C(F)(F)F)s1 ZINC000044430639 562657581 /nfs/dbraw/zinc/65/75/81/562657581.db2.gz BWCJWFBGIULJPI-NSHDSACASA-N 1 0 519.471 3.865 1 0 KHAFRO CCOC(=O)[C@H](Oc1ccc(NC(=O)[C@@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000044430971 562657725 /nfs/dbraw/zinc/65/77/25/562657725.db2.gz GADOEHARLSPTFT-WSNNEZGNSA-N 1 0 548.562 3.556 1 0 KHAFRO CCOC(=O)[C@H](Oc1ccc(NC(=O)[C@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000044430973 562657709 /nfs/dbraw/zinc/65/77/09/562657709.db2.gz GADOEHARLSPTFT-WQWSHVPRSA-N 1 0 548.562 3.556 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH2+]C(C)C)C[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000044431754 562657918 /nfs/dbraw/zinc/65/79/18/562657918.db2.gz KDLAGKSXCOULBD-YMPZKCBVSA-N 1 0 550.647 3.991 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@H]([NH2+]C(C)C)C[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000044431757 562657907 /nfs/dbraw/zinc/65/79/07/562657907.db2.gz KDLAGKSXCOULBD-MDNUFGMLSA-N 1 0 550.647 3.991 1 0 KHAFRO Cc1nn(-c2ccccc2)nc1C(=O)NC1CC[NH+](CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000045167503 562658033 /nfs/dbraw/zinc/65/80/33/562658033.db2.gz XMNXKBIQKQANFW-UHFFFAOYSA-N 1 0 501.418 3.507 1 0 KHAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4cc(F)cc(NC(C)=O)c4)CC3)c2c1 ZINC000045167764 562658083 /nfs/dbraw/zinc/65/80/83/562658083.db2.gz FRRHOSORDWLEPH-GLOKJOIVSA-N 1 0 506.578 3.668 1 0 KHAFRO Oc1ccc(CCNc2nc(NCCCOc3ccccc3-c3cccnc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000045187028 562658224 /nfs/dbraw/zinc/65/82/24/562658224.db2.gz AWFASRKIBISZRC-UHFFFAOYSA-N 1 0 526.645 3.584 1 0 KHAFRO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)c(C)c1 ZINC000045188237 562658277 /nfs/dbraw/zinc/65/82/77/562658277.db2.gz JWFVGQILHFPLGG-UHFFFAOYSA-N 1 0 508.688 3.770 1 0 KHAFRO O=C(N[C@H]1CCN(Cc2ccc(OCCN3CC[NH2+]CC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000045188554 562658324 /nfs/dbraw/zinc/65/83/24/562658324.db2.gz PQQRKKLBFBUFFF-IBGZPJMESA-N 1 0 511.881 3.935 1 0 KHAFRO Oc1ccc(CCNc2nc(NCc3cccc(OCc4cccc(F)c4)c3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000045192055 562658664 /nfs/dbraw/zinc/65/86/64/562658664.db2.gz TWBNWESQAMHNNG-UHFFFAOYSA-N 1 0 529.620 3.972 1 0 KHAFRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CCCOc3ccnc4cc(Cl)ccc43)C2)cc1OC ZINC000045192237 562658661 /nfs/dbraw/zinc/65/86/61/562658661.db2.gz PPBZBKNGBTVERK-GOSISDBHSA-N 1 0 506.024 3.727 1 0 KHAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CCCOc3ccnc4cc(Cl)ccc43)C2)cc1OC ZINC000045192241 562658608 /nfs/dbraw/zinc/65/86/08/562658608.db2.gz PPBZBKNGBTVERK-SFHVURJKSA-N 1 0 506.024 3.727 1 0 KHAFRO Cn1ncc2c1ccc1ncc(Cl)c(CCN3CCC([NH2+]Cc4ccc5c(c4)NC(=O)CO5)CC3)c21 ZINC000045192700 562658632 /nfs/dbraw/zinc/65/86/32/562658632.db2.gz HYNBIXKIQHMMJV-UHFFFAOYSA-N 1 0 505.022 3.903 1 0 KHAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1cccc(NC(=O)NCc2ccccc2)c1 ZINC000045193498 562658779 /nfs/dbraw/zinc/65/87/79/562658779.db2.gz IWECVQRCGQONSB-UHFFFAOYSA-N 1 0 527.589 3.800 1 0 KHAFRO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)c(F)c1 ZINC000045201071 562658967 /nfs/dbraw/zinc/65/89/67/562658967.db2.gz JQZJDTMVVBCGRU-UHFFFAOYSA-N 1 0 512.651 3.601 1 0 KHAFRO C[C@@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc5nonc5c4)cc3)c(=O)c2Cl)C[C@H](C)[NH2+]1 ZINC000045201634 562659058 /nfs/dbraw/zinc/65/90/58/562659058.db2.gz ROMIQWJASAKUCK-KSQPQJEDSA-N 1 0 519.993 3.585 1 0 KHAFRO C[C@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc5nonc5c4)cc3)c(=O)c2Cl)C[C@H](C)[NH2+]1 ZINC000045201636 562659031 /nfs/dbraw/zinc/65/90/31/562659031.db2.gz ROMIQWJASAKUCK-RYTMFUSVSA-N 1 0 519.993 3.585 1 0 KHAFRO C[C@@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc5nonc5c4)cc3)c(=O)c2Cl)C[C@@H](C)[NH2+]1 ZINC000045201638 562659040 /nfs/dbraw/zinc/65/90/40/562659040.db2.gz ROMIQWJASAKUCK-MULDZMIYSA-N 1 0 519.993 3.585 1 0 KHAFRO CCC[C@@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1 ZINC000045201746 562659126 /nfs/dbraw/zinc/65/91/26/562659126.db2.gz YHXXFVYWTVMOAK-COFKYPDJSA-N 1 0 530.735 3.529 1 0 KHAFRO CCC[C@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1 ZINC000045201748 562659102 /nfs/dbraw/zinc/65/91/02/562659102.db2.gz YHXXFVYWTVMOAK-NJTBCWBZSA-N 1 0 530.735 3.529 1 0 KHAFRO COc1ccc(-c2ccccc2CNc2nc(NCCc3ccc(O)cc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000045228273 562659454 /nfs/dbraw/zinc/65/94/54/562659454.db2.gz QFAJGBXYVRDGRZ-UHFFFAOYSA-N 1 0 511.630 3.929 1 0 KHAFRO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)s1 ZINC000045228401 562659468 /nfs/dbraw/zinc/65/94/68/562659468.db2.gz MXXUKVSWTDEVOI-UHFFFAOYSA-N 1 0 500.690 3.524 1 0 KHAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH2+]CCc1c[nH]cn1)cnc2-c1cccc(Cl)c1 ZINC000045230199 562659608 /nfs/dbraw/zinc/65/96/08/562659608.db2.gz XKUGWZMAXKFPTN-UHFFFAOYSA-N 1 0 507.986 3.728 1 0 KHAFRO COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2(C)C)c1 ZINC000045254567 562659902 /nfs/dbraw/zinc/65/99/02/562659902.db2.gz OKZJLTFATILDPN-GBXCKJPGSA-N 1 0 503.647 3.801 1 0 KHAFRO COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2(C)C)c1 ZINC000045254569 562659887 /nfs/dbraw/zinc/65/98/87/562659887.db2.gz OKZJLTFATILDPN-HYBUGGRVSA-N 1 0 503.647 3.801 1 0 KHAFRO COc1cccc([C@]2(O)CCCC[C@H]2C[N@@H+]2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)c1 ZINC000045254571 562659865 /nfs/dbraw/zinc/65/98/65/562659865.db2.gz POJMJIIKSJRQPV-UBMARQKXSA-N 1 0 532.081 3.837 1 0 KHAFRO COc1cccc([C@@]2(O)CCCC[C@@H]2C[N@@H+]2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)c1 ZINC000045258680 562659960 /nfs/dbraw/zinc/65/99/60/562659960.db2.gz POJMJIIKSJRQPV-OZJYBUQCSA-N 1 0 532.081 3.837 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)C[C@@H]1OC ZINC000045259243 562660001 /nfs/dbraw/zinc/66/00/01/562660001.db2.gz SOEFWQWHKHCTLH-BIIVWMMYSA-N 1 0 518.054 3.534 1 0 KHAFRO CO[C@H]1CC[C@@]([NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1 ZINC000045262074 562660040 /nfs/dbraw/zinc/66/00/40/562660040.db2.gz DOJVZNNOIXNFGO-RVUATISTSA-N 1 0 503.634 3.511 1 0 KHAFRO COc1ccc(-n2cc(CCCC(=O)NCCCC[NH+]3CCN(c4ccccc4Cl)CC3)nn2)cc1 ZINC000045284998 562660170 /nfs/dbraw/zinc/66/01/70/562660170.db2.gz UBTIGENRGIKDKA-UHFFFAOYSA-N 1 0 511.070 3.971 1 0 KHAFRO Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000045285857 562660166 /nfs/dbraw/zinc/66/01/66/562660166.db2.gz XOGMWXWLQLLWBR-UHFFFAOYSA-N 1 0 511.429 3.753 1 0 KHAFRO COc1cccc([C@]2(O)CCCC[C@H]2C[N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](OC)C2)c1 ZINC000045286576 562660188 /nfs/dbraw/zinc/66/01/88/562660188.db2.gz POJMJIIKSJRQPV-QZOFJNMOSA-N 1 0 532.081 3.837 1 0 KHAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCCCC2)n1)C(=O)NCc1ccccc1 ZINC000045287122 562660207 /nfs/dbraw/zinc/66/02/07/562660207.db2.gz WVCHPYGQYPZYQM-BDYUSTAISA-N 1 0 512.658 3.852 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)C[C@@H]1OC ZINC000045287287 562660201 /nfs/dbraw/zinc/66/02/01/562660201.db2.gz SOEFWQWHKHCTLH-QJTHLVPVSA-N 1 0 518.054 3.534 1 0 KHAFRO CC(C)(C)c1ccc(OCCC[NH+]2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000045288273 562660269 /nfs/dbraw/zinc/66/02/69/562660269.db2.gz MYCDTBBOBTWXGU-MUUNZHRXSA-N 1 0 513.633 3.828 1 0 KHAFRO CC(C)(C)c1ccc(OCCC[NH+]2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000045288276 562660276 /nfs/dbraw/zinc/66/02/76/562660276.db2.gz MYCDTBBOBTWXGU-NDEPHWFRSA-N 1 0 513.633 3.828 1 0 KHAFRO Oc1ccc(CCNc2nc(NCCCOc3ccccc3-c3ccncc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000045302464 562660684 /nfs/dbraw/zinc/66/06/84/562660684.db2.gz DLLKELHOHCAYJN-UHFFFAOYSA-N 1 0 526.645 3.584 1 0 KHAFRO COc1cc(Cc2cnc(NCCN3CC[NH2+]CC3)nc2N)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000045302809 562660719 /nfs/dbraw/zinc/66/07/19/562660719.db2.gz YPTRUDIXZCIBRC-UHFFFAOYSA-N 1 0 516.568 3.573 1 0 KHAFRO COc1ccc(CC[N@H+]2C[C@@H](c3ccc(N(C)C)cc3)[C@@H](CNC(=O)Cc3cccnc3)C2)cc1OC ZINC000045302888 562660733 /nfs/dbraw/zinc/66/07/33/562660733.db2.gz XUIXVUXJOLQQHE-BDYUSTAISA-N 1 0 502.659 3.782 1 0 KHAFRO COc1ccc(CC[N@@H+]2C[C@H](CNC(=O)Cc3cccnc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000045302889 562660713 /nfs/dbraw/zinc/66/07/13/562660713.db2.gz XUIXVUXJOLQQHE-AHKZPQOWSA-N 1 0 502.659 3.782 1 0 KHAFRO Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(Cn2cnc(N3CCC[NH2+]CC3)cc2=O)c1 ZINC000045303098 562660794 /nfs/dbraw/zinc/66/07/94/562660794.db2.gz WJUGYSUKYYPKSO-UHFFFAOYSA-N 1 0 529.666 3.868 1 0 KHAFRO C[NH+](C)CCNC(=O)c1ccc(-c2cccc3c4ccccc4sc32)nc1N1CCN(CCO)CC1 ZINC000045303348 562660843 /nfs/dbraw/zinc/66/08/43/562660843.db2.gz WGBGKNHEEVEMKC-UHFFFAOYSA-N 1 0 503.672 3.522 1 0 KHAFRO CCn1cnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc2N1CCCC1=O ZINC000045316361 562660882 /nfs/dbraw/zinc/66/08/82/562660882.db2.gz QSYMNHIIAPEVHN-RPLLCQBOSA-N 1 0 517.674 3.807 1 0 KHAFRO [NH3+]CCN1CCN(c2c3cccc(C(F)(F)F)c3ncc2C2N=NC(=S)N2Cc2ccccc2)CC1 ZINC000045317016 562660867 /nfs/dbraw/zinc/66/08/67/562660867.db2.gz WLKHISOTYZUYJR-UHFFFAOYSA-N 1 0 513.593 3.930 1 0 KHAFRO COc1cccc([C@@]2(O)CCCC[C@@H]2C[N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](OC)C2)c1 ZINC000045317981 562660862 /nfs/dbraw/zinc/66/08/62/562660862.db2.gz POJMJIIKSJRQPV-JQKXIHIISA-N 1 0 532.081 3.837 1 0 KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCCN(C(C)=O)C1 ZINC000045318036 562660880 /nfs/dbraw/zinc/66/08/80/562660880.db2.gz PMWAUAFQTSGIKR-YIKNKFAXSA-N 1 0 515.645 3.798 1 0 KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CCCN(C(C)=O)C1 ZINC000045318039 562660878 /nfs/dbraw/zinc/66/08/78/562660878.db2.gz PMWAUAFQTSGIKR-GKRYNVPLSA-N 1 0 515.645 3.798 1 0 KHAFRO COc1ccc(CC[N@@H+]2CC[C@H](CNc3nc(-c4ccccc4)nc4ccccc43)C2)cc1S(N)(=O)=O ZINC000045318314 562660908 /nfs/dbraw/zinc/66/09/08/562660908.db2.gz YOWILVGOOCTEHS-OAQYLSRUSA-N 1 0 517.655 3.929 1 0 KHAFRO Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000045319997 562661024 /nfs/dbraw/zinc/66/10/24/562661024.db2.gz BURAYOIJVQWRTF-QGZVFWFLSA-N 1 0 527.472 3.818 1 0 KHAFRO Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000045320001 562660996 /nfs/dbraw/zinc/66/09/96/562660996.db2.gz BURAYOIJVQWRTF-KRWDZBQOSA-N 1 0 527.472 3.818 1 0 KHAFRO Oc1ccc(CCNc2nc(NCCOc3ccccc3-c3ccccc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000045322331 562661086 /nfs/dbraw/zinc/66/10/86/562661086.db2.gz XVVJARDMRIZKSJ-UHFFFAOYSA-N 1 0 511.630 3.799 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)C[C@H]1OC ZINC000045322573 562661133 /nfs/dbraw/zinc/66/11/33/562661133.db2.gz SOEFWQWHKHCTLH-ZSKASMGYSA-N 1 0 518.054 3.534 1 0 KHAFRO COc1ccc2ncc(Cl)c(NCC3(O)CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c2n1 ZINC000045323089 562661105 /nfs/dbraw/zinc/66/11/05/562661105.db2.gz GDTIEJZUKQWFBX-UHFFFAOYSA-N 1 0 515.039 3.606 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)C[C@H]1OC ZINC000045324055 562661186 /nfs/dbraw/zinc/66/11/86/562661186.db2.gz SOEFWQWHKHCTLH-YUXJLSHCSA-N 1 0 518.054 3.534 1 0 KHAFRO COc1cc(OC)nc(-c2cccc(NC(=O)c3ccc4c(c3)ncn(CC[NH+]3CCCCC3)c4=O)c2)n1 ZINC000045324418 562661197 /nfs/dbraw/zinc/66/11/97/562661197.db2.gz DSZHDEXGYOXXOK-UHFFFAOYSA-N 1 0 514.586 3.609 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cn3ncc(N4CCC[NH2+]CC4)c(Cl)c3=O)cc2)cc1 ZINC000045324474 562661205 /nfs/dbraw/zinc/66/12/05/562661205.db2.gz LOUIAHFANJFDEF-UHFFFAOYSA-N 1 0 525.009 3.565 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000045334544 562661253 /nfs/dbraw/zinc/66/12/53/562661253.db2.gz CRXBTZAVVPNXMP-VPUSJEBWSA-N 1 0 530.625 3.692 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000045334546 562661259 /nfs/dbraw/zinc/66/12/59/562661259.db2.gz CRXBTZAVVPNXMP-BDYUSTAISA-N 1 0 530.625 3.692 1 0 KHAFRO OCc1cccc(-c2nc3c(ncn3C3CC[NH+](Cc4ccc(F)cc4)CC3)c(N3CCOCC3)n2)c1 ZINC000045337721 562661427 /nfs/dbraw/zinc/66/14/27/562661427.db2.gz JDIMUQGRASLCKM-UHFFFAOYSA-N 1 0 502.594 3.798 1 0 KHAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(N)=O)c2cccc(Cl)c2)C1 ZINC000045338621 562661477 /nfs/dbraw/zinc/66/14/77/562661477.db2.gz XXQKRNVVWCJOMV-RWCIVJTCSA-N 1 0 522.134 3.956 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@]3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 ZINC000045349527 562661683 /nfs/dbraw/zinc/66/16/83/562661683.db2.gz CVJOSWCAPSFIOS-BBANNHEPSA-N 1 0 503.691 3.704 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@]3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 ZINC000045349530 562661718 /nfs/dbraw/zinc/66/17/18/562661718.db2.gz CVJOSWCAPSFIOS-FSGGQHMVSA-N 1 0 503.691 3.704 1 0 KHAFRO C[NH+](C)CCc1ccc(OCCCNC(=O)c2cc(Br)c[nH]2)c(I)c1 ZINC000045350688 562661707 /nfs/dbraw/zinc/66/17/07/562661707.db2.gz PSXVRJXTHQNIHQ-UHFFFAOYSA-N 1 0 520.209 3.685 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000045364216 562662006 /nfs/dbraw/zinc/66/20/06/562662006.db2.gz XNXHMAJWAVMLJC-PSWAGMNNSA-N 1 0 521.681 3.843 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@]3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000045364242 562661978 /nfs/dbraw/zinc/66/19/78/562661978.db2.gz HQDFIDGIFXMQEA-HEHLMWRFSA-N 1 0 515.702 3.848 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@]3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000045364246 562662028 /nfs/dbraw/zinc/66/20/28/562662028.db2.gz HQDFIDGIFXMQEA-BIWUZHOCSA-N 1 0 515.702 3.848 1 0 KHAFRO Cc1ccnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 ZINC000045364779 562662064 /nfs/dbraw/zinc/66/20/64/562662064.db2.gz WWSKOVKRPHATCH-PSWAGMNNSA-N 1 0 522.640 3.918 1 0 KHAFRO CC(C)C[NH+]1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 ZINC000045365093 562662030 /nfs/dbraw/zinc/66/20/30/562662030.db2.gz NSPFQMNJDYCNJI-VWLOTQADSA-N 1 0 508.663 3.769 1 0 KHAFRO COc1ccc(CCNc2nc(NCC[C@H]3CCC[N@@H+]3C)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000045369517 562662196 /nfs/dbraw/zinc/66/21/96/562662196.db2.gz JNLFFMSGOXSODK-HSZRJFAPSA-N 1 0 518.662 3.975 1 0 KHAFRO COc1ccc(CCNc2nc(NCC[C@@H]3CCC[N@@H+]3C)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000045369523 562662203 /nfs/dbraw/zinc/66/22/03/562662203.db2.gz JNLFFMSGOXSODK-QHCPKHFHSA-N 1 0 518.662 3.975 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 ZINC000045384522 562662324 /nfs/dbraw/zinc/66/23/24/562662324.db2.gz VVHHRWVIRPLGFD-WMPKNSHKSA-N 1 0 515.702 3.848 1 0 KHAFRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCCCN2CCCC2=O)c(NCC2CCCCC2)n1 ZINC000045389441 562662494 /nfs/dbraw/zinc/66/24/94/562662494.db2.gz FTVAPGDJRUIYIV-JOCHJYFZSA-N 1 0 513.731 3.888 1 0 KHAFRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCCCN2CCCC2=O)c(NCC2CCCCC2)n1 ZINC000045389445 562662524 /nfs/dbraw/zinc/66/25/24/562662524.db2.gz FTVAPGDJRUIYIV-QFIPXVFZSA-N 1 0 513.731 3.888 1 0 KHAFRO OCc1cccc(-c2nc3c(ncn3C3CC[NH+](Cc4ccccc4F)CC3)c(N3CCOCC3)n2)c1 ZINC000045391642 562662551 /nfs/dbraw/zinc/66/25/51/562662551.db2.gz PFXAZSDLGHSWGB-UHFFFAOYSA-N 1 0 502.594 3.798 1 0 KHAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 ZINC000045392798 562662575 /nfs/dbraw/zinc/66/25/75/562662575.db2.gz VRIWDQKPTOTRNK-XGTKUTNFSA-N 1 0 514.544 3.774 1 0 KHAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ccc(Br)cc1 ZINC000045392802 562662586 /nfs/dbraw/zinc/66/25/86/562662586.db2.gz XEQUQWJVHIEWQA-XGTKUTNFSA-N 1 0 525.443 3.517 1 0 KHAFRO COc1ccc(OC)c(/C=C/C(=O)NCC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 ZINC000045495395 562662635 /nfs/dbraw/zinc/66/26/35/562662635.db2.gz HZFKOGRXDFNNRV-QPJJXVBHSA-N 1 0 532.037 3.646 1 0 KHAFRO NC(=O)[C@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000045496707 562662727 /nfs/dbraw/zinc/66/27/27/562662727.db2.gz FFNYDBBOZNJMKA-JNMYPXEXSA-N 1 0 525.575 3.966 1 0 KHAFRO NC(=O)[C@@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000045496709 562662715 /nfs/dbraw/zinc/66/27/15/562662715.db2.gz FFNYDBBOZNJMKA-OQECSOMKSA-N 1 0 525.575 3.966 1 0 KHAFRO O=c1[nH]c2cc(Br)ccc2n1C1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000045498208 562662757 /nfs/dbraw/zinc/66/27/57/562662757.db2.gz ZYKHMDFAAIQNQH-UHFFFAOYSA-N 1 0 519.465 3.582 1 0 KHAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCS(=O)(=O)CC2)c2ccccc2)CC1 ZINC000045506468 562662845 /nfs/dbraw/zinc/66/28/45/562662845.db2.gz QSODJOCUZUUXMJ-CPJSRVTESA-N 1 0 515.724 3.808 1 0 KHAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCS(=O)(=O)CC2)c2ccccc2)CC1 ZINC000045506471 562662851 /nfs/dbraw/zinc/66/28/51/562662851.db2.gz QSODJOCUZUUXMJ-NLFFAJNJSA-N 1 0 515.724 3.808 1 0 KHAFRO CCCCNC(=O)c1[nH]c2c(cccc2NC(=O)COc2ccccc2)c1-c1cccc(NC(=O)[C@H]([NH3+])CO)c1 ZINC000048307372 562663074 /nfs/dbraw/zinc/66/30/74/562663074.db2.gz BOYMPWAWJVBVOD-HSZRJFAPSA-N 1 0 543.624 3.640 1 0 KHAFRO CCCCNC(=O)c1[nH]c2c(cccc2NC(=O)COc2ccccc2)c1-c1cccc(NC(=O)[C@@H]([NH3+])CO)c1 ZINC000048307373 562663066 /nfs/dbraw/zinc/66/30/66/562663066.db2.gz BOYMPWAWJVBVOD-QHCPKHFHSA-N 1 0 543.624 3.640 1 0 KHAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)c1cc(C2CCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000048308835 562663112 /nfs/dbraw/zinc/66/31/12/562663112.db2.gz ZDKQKVFPZGTEQX-XZWHSSHBSA-N 1 0 569.768 3.745 1 0 KHAFRO CCCCCC[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1 ZINC000048308848 562663141 /nfs/dbraw/zinc/66/31/41/562663141.db2.gz NDSKYSANWQVXNA-WUFINQPMSA-N 1 0 544.762 3.920 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)[C@H](O)C[NH2+]C2CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000048308960 562663155 /nfs/dbraw/zinc/66/31/55/562663155.db2.gz PIIHALVZODZOBH-WUFINQPMSA-N 1 0 578.726 3.951 1 0 KHAFRO COc1cccc(-c2nc3c(n[nH]c3-c3ccc(C4CC[NH2+]CC4)cc3)c(=O)n2NC(=O)c2ccncc2)c1 ZINC000049034352 562663505 /nfs/dbraw/zinc/66/35/05/562663505.db2.gz TYIKRPBDCYQRNK-UHFFFAOYSA-N 1 0 521.581 3.708 1 0 KHAFRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c3ccccc32)c2ccccc12 ZINC000049034585 562663520 /nfs/dbraw/zinc/66/35/20/562663520.db2.gz BPQSEYFUAIEREA-JLVXQPSGSA-N 1 0 505.640 3.882 1 0 KHAFRO CCCC[C@@](C)([NH3+])c1nnc(-c2cc(N(CCOC)C[C@H]3C[C@@H]3C)nc(N(C)S(C)(=O)=O)c2Cl)o1 ZINC000049045851 562663652 /nfs/dbraw/zinc/66/36/52/562663652.db2.gz DTPHIOGHYOZECI-NXHTTZLHSA-N 1 0 529.107 3.654 1 0 KHAFRO CS(=O)(=O)Nc1cc(OCC[N@@H+]2C[C@@H]3CC[C@H](C2)C3Cc2ccc3c(c2)NC(=O)CC3)ccc1F ZINC000049049038 562663734 /nfs/dbraw/zinc/66/37/34/562663734.db2.gz HEKVAXCQMOFXKK-RLAPIPATSA-N 1 0 501.624 3.661 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000049070663 562664111 /nfs/dbraw/zinc/66/41/11/562664111.db2.gz MCEPAFGIBULHLP-XMMPIXPASA-N 1 0 530.591 3.568 1 0 KHAFRO C[C@@H](NC(=O)c1cc(COC[C@H]([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049071206 562664124 /nfs/dbraw/zinc/66/41/24/562664124.db2.gz QGPQPROZQHDVAL-KBMIEXCESA-N 1 0 513.635 3.799 1 0 KHAFRO NC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049088466 562664319 /nfs/dbraw/zinc/66/43/19/562664319.db2.gz NNBQPBRMABHXMF-UHFFFAOYSA-N 1 0 512.618 3.658 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 ZINC000049088538 562664343 /nfs/dbraw/zinc/66/43/43/562664343.db2.gz JDJKNPKGUPLZOR-VXNXHJTFSA-N 1 0 511.617 3.780 1 0 KHAFRO COc1ccc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000049113748 562664636 /nfs/dbraw/zinc/66/46/36/562664636.db2.gz GJVBVKZFYFUINR-ZRDIBKRKSA-N 1 0 531.602 3.855 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000049525680 562664818 /nfs/dbraw/zinc/66/48/18/562664818.db2.gz KMEOYPGTFKFRIU-GDLZYMKVSA-N 1 0 534.588 3.872 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000049537181 562664772 /nfs/dbraw/zinc/66/47/72/562664772.db2.gz KMEOYPGTFKFRIU-LJAQVGFWSA-N 1 0 534.588 3.872 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC(C)(C)C)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000049604912 562665065 /nfs/dbraw/zinc/66/50/65/562665065.db2.gz BFANCPGKMNFWRL-AZGAKELHSA-N 1 0 562.752 3.915 1 0 KHAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH2+]Cc1cnc(C)nc1N)cnc2-c1cccc(Cl)c1 ZINC000049604976 562665190 /nfs/dbraw/zinc/66/51/90/562665190.db2.gz OAQNNOASEYMXIE-UHFFFAOYSA-N 1 0 535.012 3.643 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H]2CCC(C)(C)C2)cc(N2CCCCS2(=O)=O)c1 ZINC000049604978 562665166 /nfs/dbraw/zinc/66/51/66/562665166.db2.gz SBMWXKFHNABHGF-FQLPYIGMSA-N 1 0 556.773 3.919 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H]2CCC(C)(C)C2)cc(N2CCCCS2(=O)=O)c1 ZINC000049604979 562665201 /nfs/dbraw/zinc/66/52/01/562665201.db2.gz SBMWXKFHNABHGF-SAAIGDAKSA-N 1 0 556.773 3.919 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccc(F)c(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049604980 562665162 /nfs/dbraw/zinc/66/51/62/562665162.db2.gz VNEJPAXYUUZOQK-XZWHSSHBSA-N 1 0 616.731 3.827 1 0 KHAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(OC)c2)cc(N2CCCS2(=O)=O)c1 ZINC000049605013 562665219 /nfs/dbraw/zinc/66/52/19/562665219.db2.gz LVDQHSSUBBWGJE-XZWHSSHBSA-N 1 0 595.762 3.861 1 0 KHAFRO COc1cc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC(C)C)cc(N3CCCCS3(=O)=O)c2)cc(OC)c1 ZINC000049605075 562665313 /nfs/dbraw/zinc/66/53/13/562665313.db2.gz BIUMDEYLNRAKRP-AJQTZOPKSA-N 1 0 625.788 3.913 1 0 KHAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C)c1)cc3N(C)S(=O)(=O)CC2 ZINC000049605138 562665424 /nfs/dbraw/zinc/66/54/24/562665424.db2.gz ZOQHVHXEZHXMAO-MFMCTBQISA-N 1 0 574.747 3.784 1 0 KHAFRO COc1cc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC(C)C)cc(N3CCCS3(=O)=O)c2)cc(OC)c1 ZINC000049605181 562665480 /nfs/dbraw/zinc/66/54/80/562665480.db2.gz AZEMRGIUTOTNSF-IOWSJCHKSA-N 1 0 611.761 3.523 1 0 KHAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049605335 562665755 /nfs/dbraw/zinc/66/57/55/562665755.db2.gz XHXOQWNPXVNZGQ-XZWHSSHBSA-N 1 0 581.735 3.516 1 0 KHAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cc(OC)cc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049605461 562665891 /nfs/dbraw/zinc/66/58/91/562665891.db2.gz UZKWZZRRPSGYCQ-IOWSJCHKSA-N 1 0 611.761 3.524 1 0 KHAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049605481 562665959 /nfs/dbraw/zinc/66/59/59/562665959.db2.gz PKFXIUHHDUWZIZ-XTEPFMGCSA-N 1 0 570.731 3.747 1 0 KHAFRO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)CC2)c2nonc21 ZINC000049605717 562666297 /nfs/dbraw/zinc/66/62/97/562666297.db2.gz BEWSCVKLIMCTSE-UHFFFAOYSA-N 1 0 600.761 3.731 1 0 KHAFRO O=C(NCc1cccc(CN2CCOCC2)c1)c1cc(Br)cc(N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000049614038 562666520 /nfs/dbraw/zinc/66/65/20/562666520.db2.gz KOVPBJXAHVHGET-UHFFFAOYSA-N 1 0 550.501 3.933 1 0 KHAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)C4(C)C)cc2NC(=O)c2cc[nH]c2)CC1 ZINC000049615358 562666616 /nfs/dbraw/zinc/66/66/16/562666616.db2.gz JLIMOKFGZNPROX-UHFFFAOYSA-N 1 0 638.701 3.712 1 0 KHAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cc(OC)cc(OC)c2)cc(N2CCCC2=O)c1 ZINC000049626081 562666993 /nfs/dbraw/zinc/66/69/93/562666993.db2.gz SSZNOTKRMCHVHJ-XZWHSSHBSA-N 1 0 561.679 3.721 1 0 KHAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C ZINC000049637852 562667594 /nfs/dbraw/zinc/66/75/94/562667594.db2.gz LLZBDCBLBHKQKH-SYBIPBJRSA-N 1 0 621.816 3.817 1 0 KHAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc2N1CCCS1(=O)=O ZINC000049639120 562667685 /nfs/dbraw/zinc/66/76/85/562667685.db2.gz MTIZZECUOUZVLK-XTEPFMGCSA-N 1 0 552.741 3.895 1 0 KHAFRO COc1cc2c(cc1OC)CN(CCC(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000049649413 562667961 /nfs/dbraw/zinc/66/79/61/562667961.db2.gz SOKBSOAAOZWMFK-MDZDMXLPSA-N 1 0 614.736 3.990 1 0 KHAFRO COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CC[NH2+]CC3)C2=O)cc1OC ZINC000049670073 562668231 /nfs/dbraw/zinc/66/82/31/562668231.db2.gz CMIWIFCLMXWFBM-XMMPIXPASA-N 1 0 584.764 3.973 1 0 KHAFRO COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CC[NH+](C)CC4)c3C2=O)cc1OC ZINC000049679705 562668960 /nfs/dbraw/zinc/66/89/60/562668960.db2.gz QVOADEILYCLCKY-JOCHJYFZSA-N 1 0 598.747 3.613 1 0 KHAFRO CNC(=O)[C@H](C(C)C)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@@H]([NH3+])C(C)C)nn3)nn2)nn1 ZINC000049694758 562669722 /nfs/dbraw/zinc/66/97/22/562669722.db2.gz JUKWHUFVFKCZNR-ORYMTKCHSA-N 1 0 595.756 3.724 1 0 KHAFRO O=C(Nc1ccc(OCCC[NH+]2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1)c1ccccc1 ZINC000049695402 562670519 /nfs/dbraw/zinc/67/05/19/562670519.db2.gz TVZFUBJMYOONFC-WJOKGBTCSA-N 1 0 576.648 3.783 1 0 KHAFRO O=C(Nc1ccc(OCCC[NH+]2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1)c1ccccc1 ZINC000049695403 562670515 /nfs/dbraw/zinc/67/05/15/562670515.db2.gz TVZFUBJMYOONFC-HKBQPEDESA-N 1 0 576.648 3.783 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049708099 562670842 /nfs/dbraw/zinc/67/08/42/562670842.db2.gz NIQZVJVTQIZVKW-LKVYVDQESA-N 1 0 653.824 3.613 1 0 KHAFRO CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCNC(=O)c1ccccc1 ZINC000049708431 562670915 /nfs/dbraw/zinc/67/09/15/562670915.db2.gz LPHSWVYQVADBSE-NPAHLTKDSA-N 1 0 609.771 3.704 1 0 KHAFRO CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCNC(=O)c1ccccc1 ZINC000049708523 562670966 /nfs/dbraw/zinc/67/09/66/562670966.db2.gz OSYLVSSLYJHUEV-UODKTINQSA-N 1 0 623.798 3.965 1 0 KHAFRO CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCNC(=O)NCc1ccccc1 ZINC000049709445 562671350 /nfs/dbraw/zinc/67/13/50/562671350.db2.gz MFTPFSKSWLKVAS-PIXGQMGXSA-N 1 0 638.813 3.773 1 0 KHAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]C3CCC3)CC2)c(OC)c1 ZINC000049709552 562671373 /nfs/dbraw/zinc/67/13/73/562671373.db2.gz YLVPPCIRFCDKTO-XMMPIXPASA-N 1 0 577.769 3.540 1 0 KHAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]C3CCC3)CC2)c(OC)c1 ZINC000049709555 562671361 /nfs/dbraw/zinc/67/13/61/562671361.db2.gz YLVPPCIRFCDKTO-DEOSSOPVSA-N 1 0 577.769 3.540 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000049709558 562671396 /nfs/dbraw/zinc/67/13/96/562671396.db2.gz UNXQGBMZYKHQCO-LZITZJIASA-N 1 0 552.474 3.742 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCc2cc(OC)cc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049710277 562671634 /nfs/dbraw/zinc/67/16/34/562671634.db2.gz MGPTVJGMOPYHLB-AJQTZOPKSA-N 1 0 624.804 3.600 1 0 KHAFRO O=c1cc(N2CC[NH2+]CC2)c(Cl)nn1Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000049710294 562671656 /nfs/dbraw/zinc/67/16/56/562671656.db2.gz AELJRFGBRSQXAB-UHFFFAOYSA-N 1 0 552.056 3.948 1 0 KHAFRO CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4cccnc4)CC3)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000049710296 562671652 /nfs/dbraw/zinc/67/16/52/562671652.db2.gz WOZYVVSCKUPLTE-PLQXJYEYSA-N 1 0 553.671 3.844 1 0 KHAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049710998 562671940 /nfs/dbraw/zinc/67/19/40/562671940.db2.gz GPNXPYCGPMEGKY-XTEPFMGCSA-N 1 0 588.721 3.886 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)CC(C)C)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000049711162 562671972 /nfs/dbraw/zinc/67/19/72/562671972.db2.gz IDQKLCONYNKVAX-IDNYDCHQSA-N 1 0 562.752 3.914 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C)CC(C)C)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000049711167 562671993 /nfs/dbraw/zinc/67/19/93/562671993.db2.gz IDQKLCONYNKVAX-NKPLSRDGSA-N 1 0 562.752 3.914 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000049711305 562672094 /nfs/dbraw/zinc/67/20/94/562672094.db2.gz NAOQNYFVXDLIDP-NXKDEWIBSA-N 1 0 534.484 3.603 1 0 KHAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC(C)C)cc(N3CCCCS3(=O)=O)c2)c1 ZINC000049722525 562672137 /nfs/dbraw/zinc/67/21/37/562672137.db2.gz VUPIBHARVPPNMX-IOWSJCHKSA-N 1 0 595.762 3.904 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(CC(C)C)CC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049722831 562672580 /nfs/dbraw/zinc/67/25/80/562672580.db2.gz RUGLXCDTRDYDTG-WUFINQPMSA-N 1 0 556.773 3.919 1 0 KHAFRO O=C(NCCN1CCN(S(=O)(=O)c2ccc(OC3CC[NH2+]CC3)c(Br)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049722877 562672641 /nfs/dbraw/zinc/67/26/41/562672641.db2.gz QHGOLEGWRGQREI-UHFFFAOYSA-N 1 0 620.397 3.623 1 0 KHAFRO CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CNC(=S)NCc1ccccc1 ZINC000049722887 562672666 /nfs/dbraw/zinc/67/26/66/562672666.db2.gz BAMKYWPNUMTYIE-HVSNEVFASA-N 1 0 640.854 3.548 1 0 KHAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)Cn4nc(-c5ccc(C(F)(F)F)cc5)ccc4=O)CC3)c2c1 ZINC000049722939 562672709 /nfs/dbraw/zinc/67/27/09/562672709.db2.gz PFCGRZUHGPDNLR-MHZLTWQESA-N 1 0 581.595 3.800 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C)C(C)(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049723050 562672862 /nfs/dbraw/zinc/67/28/62/562672862.db2.gz MQRBWEORQKOSPA-COFKYPDJSA-N 1 0 544.762 3.775 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(C(C)C)CCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049723329 562673289 /nfs/dbraw/zinc/67/32/89/562673289.db2.gz GVAQCQOPTHEXQP-WUFINQPMSA-N 1 0 556.773 3.919 1 0 KHAFRO CCCN1C(=O)O[C@@]2(C)[C@H]1[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@@H]2CC ZINC000049739198 562673452 /nfs/dbraw/zinc/67/34/52/562673452.db2.gz SMDYWMMHOMGUEL-LDHOEMRISA-N 1 0 654.842 3.600 1 0 KHAFRO Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 ZINC000049739612 562673496 /nfs/dbraw/zinc/67/34/96/562673496.db2.gz KVLPXRKIIFWZLM-DXBVXKBHSA-N 1 0 615.772 3.734 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C23CCC(CC2)C3)cc(N2CCCCS2(=O)=O)c1 ZINC000049744888 562673505 /nfs/dbraw/zinc/67/35/05/562673505.db2.gz KNVDDAQAHSRCDI-JTAWOERBSA-N 1 0 554.757 3.673 1 0 KHAFRO CCCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049745006 562673583 /nfs/dbraw/zinc/67/35/83/562673583.db2.gz SXGYJWCJYRBHTI-LMSSTIIKSA-N 1 0 566.768 3.998 1 0 KHAFRO CCCC1([NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(NCC)cc(N3CCCCS3(=O)=O)c2)CC1 ZINC000049745076 562673638 /nfs/dbraw/zinc/67/36/38/562673638.db2.gz ALQQEBQPTQLZIV-RRPNLBNLSA-N 1 0 542.746 3.673 1 0 KHAFRO COc1ccc(CC[N@@H+]2CC[C@H](Nc3nc(-c4ccc(F)c(F)c4)nc4ccccc43)C2)cc1S(N)(=O)=O ZINC000049745096 562673652 /nfs/dbraw/zinc/67/36/52/562673652.db2.gz RSIBVTVGWYEUBE-IBGZPJMESA-N 1 0 539.608 3.960 1 0 KHAFRO CS(=O)(=O)N(CCc1ccccc1)C[C@H](O)C[NH+]1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000049745276 562673805 /nfs/dbraw/zinc/67/38/05/562673805.db2.gz HQPAHEFLROSLNR-SSEXGKCCSA-N 1 0 578.779 3.652 1 0 KHAFRO CS(=O)(=O)N(CCc1ccccc1)C[C@@H](O)C[NH+]1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000049745280 562673818 /nfs/dbraw/zinc/67/38/18/562673818.db2.gz HQPAHEFLROSLNR-PMERELPUSA-N 1 0 578.779 3.652 1 0 KHAFRO C[C@@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC[NH2+]1 ZINC000049746228 562674343 /nfs/dbraw/zinc/67/43/43/562674343.db2.gz UHRKKABFIOWHPW-MRXNPFEDSA-N 1 0 560.033 3.975 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(-n3ccnc3)c2)cc(N2CCCC2=O)c1 ZINC000049746615 562674486 /nfs/dbraw/zinc/67/44/86/562674486.db2.gz DYNJADDGMXZVGJ-IOWSJCHKSA-N 1 0 566.706 3.923 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC/C=C/c2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049748234 562674701 /nfs/dbraw/zinc/67/47/01/562674701.db2.gz CDBTXDZHVNGLCU-QJYLWYMDSA-N 1 0 689.887 3.806 1 0 KHAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc2N1CCCS1(=O)=O ZINC000049756125 562674870 /nfs/dbraw/zinc/67/48/70/562674870.db2.gz PXVJZKXAKZWKGT-LITSAYRRSA-N 1 0 552.741 3.825 1 0 KHAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNS(C)(=O)=O)c2cccc(Cl)c2)C1 ZINC000049756384 562674992 /nfs/dbraw/zinc/67/49/92/562674992.db2.gz HNBRZLZXNNPMLA-NRRYGQPISA-N 1 0 557.201 3.837 1 0 KHAFRO O=C(Nc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000049757177 562675674 /nfs/dbraw/zinc/67/56/74/562675674.db2.gz NNTLLIDAXIUUPO-UHFFFAOYSA-N 1 0 655.804 3.946 1 0 KHAFRO CN(C(=O)[C@H](CC1CCCCC1)NC(=O)CCC[NH3+])[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000049757378 562675962 /nfs/dbraw/zinc/67/59/62/562675962.db2.gz FGYAEPVHOPQYNO-ZQWQDMLBSA-N 1 0 738.974 3.875 1 0 KHAFRO CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)C[NH2+]C)cc(-c3ccccc3)n2)CC1 ZINC000049757381 562675927 /nfs/dbraw/zinc/67/59/27/562675927.db2.gz GKCQLQSNIMAEOC-SANMLTNESA-N 1 0 652.793 3.598 1 0 KHAFRO O=C(Nc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000049757393 562675984 /nfs/dbraw/zinc/67/59/84/562675984.db2.gz DARFQBXATOBEAV-UHFFFAOYSA-N 1 0 641.777 3.556 1 0 KHAFRO C[NH+]1CCC(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1 ZINC000049762964 562676796 /nfs/dbraw/zinc/67/67/96/562676796.db2.gz HBKQZSNACMAULX-UHFFFAOYSA-N 1 0 536.036 3.643 1 0 KHAFRO CC[NH+]1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc5c(c3)OCO5)CC4)c(Cl)cn2)CC1 ZINC000049763215 562676879 /nfs/dbraw/zinc/67/68/79/562676879.db2.gz OXVRWZILFFELDT-UHFFFAOYSA-N 1 0 600.079 3.908 1 0 KHAFRO NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CCC[NH2+]CC4)ncc3Cl)cc1-2 ZINC000049766349 562677014 /nfs/dbraw/zinc/67/70/14/562677014.db2.gz WHTZEJYWLFWGDO-UHFFFAOYSA-N 1 0 560.033 3.976 1 0 KHAFRO C[C@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC[NH2+]1 ZINC000049766453 562677018 /nfs/dbraw/zinc/67/70/18/562677018.db2.gz UHRKKABFIOWHPW-INIZCTEOSA-N 1 0 560.033 3.975 1 0 KHAFRO CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CNC(=O)C[NH3+])c2)c(F)c1 ZINC000049766468 562677034 /nfs/dbraw/zinc/67/70/34/562677034.db2.gz QRYMLCSUZBXJMU-UHFFFAOYSA-N 1 0 589.571 3.928 1 0 KHAFRO C[NH+](C)CCOc1cc(Cl)cc(-c2nnc(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)o2)c1 ZINC000049767214 562677403 /nfs/dbraw/zinc/67/74/03/562677403.db2.gz NMZFBHXQCNOZOX-UHFFFAOYSA-N 1 0 553.063 3.954 1 0 KHAFRO NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CC[NH2+]CC4)ncc3Cl)cc1-2 ZINC000049774353 562678599 /nfs/dbraw/zinc/67/85/99/562678599.db2.gz MARKXAKRVUKAOV-UHFFFAOYSA-N 1 0 546.006 3.586 1 0 KHAFRO CC[NH+](C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1)C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1 ZINC000049774973 562678828 /nfs/dbraw/zinc/67/88/28/562678828.db2.gz VGWCZAIIXZBYSZ-NSOVKSMOSA-N 1 0 559.671 3.830 1 0 KHAFRO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3cccc(OC)c3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049775026 562678869 /nfs/dbraw/zinc/67/88/69/562678869.db2.gz IOWXGDNPKUNOJF-UFLBVARNSA-N 1 0 593.150 3.715 1 0 KHAFRO CC[N@@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1c[nH]cn1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncc[nH]1 ZINC000049775234 562678981 /nfs/dbraw/zinc/67/89/81/562678981.db2.gz LJXHKSLKMJASBE-UIOOFZCWSA-N 1 0 559.671 3.830 1 0 KHAFRO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccc(OC)cc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049775246 562678962 /nfs/dbraw/zinc/67/89/62/562678962.db2.gz BYSHZLBPGNFYRR-UFLBVARNSA-N 1 0 593.150 3.715 1 0 KHAFRO CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn3c2c(c1)N(C)C(=O)C3)C[C@H](O)c1ccccc1 ZINC000049776988 562679500 /nfs/dbraw/zinc/67/95/00/562679500.db2.gz VKJOEDAJUCENLF-SANMLTNESA-N 1 0 545.039 3.727 1 0 KHAFRO C[NH+](C)Cc1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1 ZINC000049777016 562679540 /nfs/dbraw/zinc/67/95/40/562679540.db2.gz FZHMGMAFTBBYMC-UHFFFAOYSA-N 1 0 555.506 3.666 1 0 KHAFRO C[C@@H](NC(=O)c1cc(CCC[C@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777138 562679713 /nfs/dbraw/zinc/67/97/13/562679713.db2.gz LRCBUQIMNATGBU-ONOMSOESSA-N 1 0 541.689 3.968 1 0 KHAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000049777184 562679758 /nfs/dbraw/zinc/67/97/58/562679758.db2.gz ONEVZGWHVFRBRW-SFTDATJTSA-N 1 0 538.674 3.568 1 0 KHAFRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000049777185 562679726 /nfs/dbraw/zinc/67/97/26/562679726.db2.gz ONEVZGWHVFRBRW-LEWJYISDSA-N 1 0 538.674 3.568 1 0 KHAFRO COC(=O)N1CC[NH+](C2CCN(c3cc4nc(-c5c(NCCc6ncn(C)c6Cl)cc[nH]c5=O)[nH]c4c(C)c3)CC2)CC1 ZINC000049777370 562679920 /nfs/dbraw/zinc/67/99/20/562679920.db2.gz CAFSWHHZBLDQKZ-UHFFFAOYSA-N 1 0 608.147 3.621 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCC(CO)CC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049777815 562680553 /nfs/dbraw/zinc/68/05/53/562680553.db2.gz ZSFYNLVTOZUTCL-UHFFFAOYSA-N 1 0 740.915 3.687 1 0 KHAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(NC(C)C)cc(N3CCCCS3(=O)=O)c2)c1 ZINC000049777910 562680648 /nfs/dbraw/zinc/68/06/48/562680648.db2.gz OHYINPUHXHJLLJ-IOWSJCHKSA-N 1 0 594.778 3.937 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cccc(I)c3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049778299 562681169 /nfs/dbraw/zinc/68/11/69/562681169.db2.gz SQLSADILRRBGPR-MUUNZHRXSA-N 1 0 657.463 3.576 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3cccc(I)c3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049778300 562681157 /nfs/dbraw/zinc/68/11/57/562681157.db2.gz SQLSADILRRBGPR-NDEPHWFRSA-N 1 0 657.463 3.576 1 0 KHAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(N4CC[NH2+]CC4)cc3)cc2)nc(C2CCOCC2)n1 ZINC000049780291 562681586 /nfs/dbraw/zinc/68/15/86/562681586.db2.gz GYCIIGYCIFEYFA-OAQYLSRUSA-N 1 0 558.687 3.711 1 0 KHAFRO C[NH+](C)CCc1cc2cc(c1)CNC(=O)c1coc(n1)-c1coc(n1)-c1cccc(n1)-c1nc(co1)-c1nc(co1)C(=O)NC2 ZINC000049780517 562681858 /nfs/dbraw/zinc/68/18/58/562681858.db2.gz AVNAQDYSKWURGT-UHFFFAOYSA-N 1 0 606.599 3.979 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000049780560 562681893 /nfs/dbraw/zinc/68/18/93/562681893.db2.gz VWWRMJRTGMCJTQ-HSZRJFAPSA-N 1 0 546.590 3.927 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000049780561 562681956 /nfs/dbraw/zinc/68/19/56/562681956.db2.gz CEZOIKOTMRIYJT-XMMPIXPASA-N 1 0 545.606 3.960 1 0 KHAFRO CN(C)C(=O)CSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F ZINC000049780582 562681937 /nfs/dbraw/zinc/68/19/37/562681937.db2.gz NHQHTMAUSGMNBW-UHFFFAOYSA-N 1 0 670.824 3.544 1 0 KHAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(OCC[NH+](C)C)cc3)cc2)nc(N2CCOC[C@H]2C)n1 ZINC000049780589 562681999 /nfs/dbraw/zinc/68/19/99/562681999.db2.gz VVMPOCLKGFBZER-FGZHOGPDSA-N 1 0 576.702 3.573 1 0 KHAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049780769 562682250 /nfs/dbraw/zinc/68/22/50/562682250.db2.gz KUXXGWVHTMGCMA-FJIJXJHWSA-N 1 0 553.647 3.903 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000049780861 562682363 /nfs/dbraw/zinc/68/23/63/562682363.db2.gz RTWCLJWYDVTGSJ-XMMPIXPASA-N 1 0 548.581 3.707 1 0 KHAFRO Cc1noc(C2CC[NH+](CCCn3nc(-c4ccc(C(F)(F)F)c(SCC(=O)N5CCOCC5)c4)c4c3CCN(S(C)(=O)=O)C4)CC2)n1 ZINC000049780938 562682421 /nfs/dbraw/zinc/68/24/21/562682421.db2.gz HWGUTLJEAZNESW-UHFFFAOYSA-N 1 0 711.833 3.799 1 0 KHAFRO Cc1ccc(C(=O)N2CCC(CC[N@@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000049781025 562682508 /nfs/dbraw/zinc/68/25/08/562682508.db2.gz BDDMHAOYXLWHLH-RUZDIDTESA-N 1 0 544.618 3.877 1 0 KHAFRO C[C@@H](NC(=O)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccccc3)[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781107 562682651 /nfs/dbraw/zinc/68/26/51/562682651.db2.gz HFGSXFMUOCGIOG-KWMCUTETSA-N 1 0 550.660 3.914 1 0 KHAFRO CCn1ccc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)cc1)nc2N1CCOCC1 ZINC000049781112 562682661 /nfs/dbraw/zinc/68/26/61/562682661.db2.gz ZUZKIBPSJJPLFM-UHFFFAOYSA-N 1 0 554.655 3.644 1 0 KHAFRO Cc1ccccc1C(=O)N1CCC(CC[N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000049781185 562682775 /nfs/dbraw/zinc/68/27/75/562682775.db2.gz NXRPRWZMYABEPP-XMMPIXPASA-N 1 0 544.618 3.877 1 0 KHAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cc3)cc2)nc(N2CCOC[C@H]2C)n1 ZINC000049781196 562682779 /nfs/dbraw/zinc/68/27/79/562682779.db2.gz ANWOYUPFMOJPEZ-DNQXCXABSA-N 1 0 643.793 3.799 1 0 KHAFRO C[NH+]1CCN(c2ccc(-c3cnc4cccc(-c5cc(F)c(CN6CCS(=O)(=O)CC6)c(F)c5)c4n3)cn2)CC1 ZINC000049781217 562682813 /nfs/dbraw/zinc/68/28/13/562682813.db2.gz JVJAREODIMVDGM-UHFFFAOYSA-N 1 0 564.662 3.619 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000049781283 562682918 /nfs/dbraw/zinc/68/29/18/562682918.db2.gz XSXFFJJDVGJPJE-JOCHJYFZSA-N 1 0 548.581 3.707 1 0 KHAFRO CCn1ccc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)cc1)nc2N1CCOCC1 ZINC000049781377 562682977 /nfs/dbraw/zinc/68/29/77/562682977.db2.gz PIBYKCQZEFWRSQ-UHFFFAOYSA-N 1 0 556.671 3.890 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000049781405 562683028 /nfs/dbraw/zinc/68/30/28/562683028.db2.gz DDBOUEPFMQWUEU-XMMPIXPASA-N 1 0 548.581 3.707 1 0 KHAFRO CONC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049783657 562683147 /nfs/dbraw/zinc/68/31/47/562683147.db2.gz NFSCWDJYPSGUKY-UHFFFAOYSA-N 1 0 542.644 3.850 1 0 KHAFRO Cc1cc(N2CC[NH+](CCCO)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049784095 562683421 /nfs/dbraw/zinc/68/34/21/562683421.db2.gz ZQLGJARKBUVURE-XMMPIXPASA-N 1 0 537.064 3.530 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCOCC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049784278 562683513 /nfs/dbraw/zinc/68/35/13/562683513.db2.gz YRJGKWOLNCEMFB-UHFFFAOYSA-N 1 0 698.878 3.788 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 ZINC000049784287 562683563 /nfs/dbraw/zinc/68/35/63/562683563.db2.gz JDAMZZFWGUKIOM-ZDXQCDESSA-N 1 0 529.607 3.919 1 0 KHAFRO COCCNC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784998 562683897 /nfs/dbraw/zinc/68/38/97/562683897.db2.gz VTPBQPROVPRKLB-UHFFFAOYSA-N 1 0 570.698 3.935 1 0 KHAFRO C[NH2+]CC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](C(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000049785944 562684219 /nfs/dbraw/zinc/68/42/19/562684219.db2.gz UASFIPPWBRKGEQ-RBZFPXEDSA-N 1 0 615.563 3.804 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nonc4n3)CC2)C1 ZINC000049792858 562684558 /nfs/dbraw/zinc/68/45/58/562684558.db2.gz ZRYOTPJBMKOUMB-AYVPJYCDSA-N 1 0 546.672 3.612 1 0 KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCc2nc(N)ncc2C1 ZINC000049792981 562684547 /nfs/dbraw/zinc/68/45/47/562684547.db2.gz LUWOLSNFQZQQJX-PVTPYKNESA-N 1 0 537.655 3.717 1 0 KHAFRO C[C@@H]1CN(CCc2cc3cc(CN4CCOCC4)cc4c3n2cc(C(=O)NCc2ccc(Cl)cc2)c4=O)C[C@H](C)[NH2+]1 ZINC000049793112 562684600 /nfs/dbraw/zinc/68/46/00/562684600.db2.gz IYBPHJLGNUKZLM-SZPZYZBQSA-N 1 0 576.141 3.531 1 0 KHAFRO C[C@H]1CN(CCc2cc3cc(CN4CCOCC4)cc4c3n2cc(C(=O)NCc2ccc(Cl)cc2)c4=O)C[C@H](C)[NH2+]1 ZINC000049793113 562684596 /nfs/dbraw/zinc/68/45/96/562684596.db2.gz IYBPHJLGNUKZLM-VXKWHMMOSA-N 1 0 576.141 3.531 1 0 KHAFRO C[C@@H]1CN(CCc2cc3cc(CN4CCOCC4)cc4c3n2cc(C(=O)NCc2ccc(Cl)cc2)c4=O)C[C@@H](C)[NH2+]1 ZINC000049793114 562684612 /nfs/dbraw/zinc/68/46/12/562684612.db2.gz IYBPHJLGNUKZLM-FGZHOGPDSA-N 1 0 576.141 3.531 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nncn43)CC2)C1 ZINC000049793310 562684722 /nfs/dbraw/zinc/68/47/22/562684722.db2.gz KXDBCLMIQPHIKC-HMNRDNJPSA-N 1 0 544.700 3.724 1 0 KHAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@H+]3CCCC[C@@H]3CO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049793318 562684728 /nfs/dbraw/zinc/68/47/28/562684728.db2.gz FIWVOKRGKAXJJE-RUZDIDTESA-N 1 0 563.098 3.653 1 0 KHAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@H+]3CCCC[C@H]3CO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049793319 562684717 /nfs/dbraw/zinc/68/47/17/562684717.db2.gz FIWVOKRGKAXJJE-VWLOTQADSA-N 1 0 563.098 3.653 1 0 KHAFRO COC[C@@]([NH3+])(COCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1 ZINC000049793425 562684800 /nfs/dbraw/zinc/68/48/00/562684800.db2.gz WWPRRUFEAYIBJG-ONOMSOESSA-N 1 0 557.688 3.816 1 0 KHAFRO COC[C@]([NH3+])(COCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1 ZINC000049793426 562684788 /nfs/dbraw/zinc/68/47/88/562684788.db2.gz WWPRRUFEAYIBJG-PBBNMVCDSA-N 1 0 557.688 3.816 1 0 KHAFRO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccc(F)cc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049793489 562684877 /nfs/dbraw/zinc/68/48/77/562684877.db2.gz WEAKLYJUEHHUMC-ZTBAGHRESA-N 1 0 581.114 3.845 1 0 KHAFRO C[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)cc(-n2cc([C@](C)([NH3+])Cc3ccccc3)nn2)c1)c1ccc(F)cc1 ZINC000049793562 562684988 /nfs/dbraw/zinc/68/49/88/562684988.db2.gz XISQCJSAFXBFSY-WHLCRQNOSA-N 1 0 550.660 3.710 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000049793578 562684981 /nfs/dbraw/zinc/68/49/81/562684981.db2.gz DBXBILMEEVCMPM-HMNRDNJPSA-N 1 0 544.700 3.724 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N3C(=O)N(CC4CCN(S(C)(=O)=O)CC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000049793756 562685126 /nfs/dbraw/zinc/68/51/26/562685126.db2.gz BFXOQLCQTRNAKB-PMERELPUSA-N 1 0 651.878 3.703 1 0 KHAFRO [NH3+]CCCOc1cc2nc(c1)-c1nc(co1)-c1nc(co1)C(=O)NCc1cccc(c1)CNC(=O)c1coc(n1)-c1coc-2n1 ZINC000049793808 562685218 /nfs/dbraw/zinc/68/52/18/562685218.db2.gz HRPLESWXWMWXLV-UHFFFAOYSA-N 1 0 608.571 3.603 1 0 KHAFRO CN1CCN(CCSc2cc(-c3nn(CCC[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1 ZINC000049793919 562685294 /nfs/dbraw/zinc/68/52/94/562685294.db2.gz HXLZKNXUQROSDU-UHFFFAOYSA-N 1 0 711.921 3.703 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](C)C1CCCCC1 ZINC000049799754 562685397 /nfs/dbraw/zinc/68/53/97/562685397.db2.gz KIHHZGQBWZPIMS-KRPMDEGWSA-N 1 0 681.878 3.746 1 0 in-vivo KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](C)C1CCCCC1 ZINC000049799755 562685402 /nfs/dbraw/zinc/68/54/02/562685402.db2.gz KIHHZGQBWZPIMS-LOBJQDIOSA-N 1 0 681.878 3.746 1 0 in-vivo KHAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C ZINC000049799812 562685466 /nfs/dbraw/zinc/68/54/66/562685466.db2.gz UQSHYVRRNHKBAX-HMODDIRLSA-N 1 0 593.762 3.732 1 0 KHAFRO Cc1cccc(C(=O)N2CCC(CC[N@@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC000049802460 562685726 /nfs/dbraw/zinc/68/57/26/562685726.db2.gz VVWKTZGDVFHHDW-RUZDIDTESA-N 1 0 544.618 3.877 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000049802466 562685716 /nfs/dbraw/zinc/68/57/16/562685716.db2.gz JOIKNLCNOLUIEO-JOCHJYFZSA-N 1 0 566.571 3.846 1 0 KHAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)nc(N2CCOC[C@H]2C)n1 ZINC000049802539 562685793 /nfs/dbraw/zinc/68/57/93/562685793.db2.gz HJEBTNWYYOYFPM-NHCUHLMSSA-N 1 0 546.676 3.694 1 0 KHAFRO CC(C)[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CC[NH3+])NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000049802583 562685854 /nfs/dbraw/zinc/68/58/54/562685854.db2.gz SZEGMVXTBASTMV-BUXKBTBVSA-N 1 0 601.536 3.543 1 0 KHAFRO CC(C)[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CCC[NH3+])NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000049802584 562685820 /nfs/dbraw/zinc/68/58/20/562685820.db2.gz MVUGXJWQGZJGAY-RBZFPXEDSA-N 1 0 615.563 3.933 1 0 KHAFRO CC(C)CCCNc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)n(C)c1 ZINC000049807417 562686394 /nfs/dbraw/zinc/68/63/94/562686394.db2.gz KTDNOGDUMGWEAJ-UHFFFAOYSA-N 1 0 552.724 3.736 1 0 KHAFRO CC[C@H]1C(C(=O)N[C@@H](C)c2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049807502 562686416 /nfs/dbraw/zinc/68/64/16/562686416.db2.gz QHBMSDGVMGLBIY-POBVQFHHSA-N 1 0 608.805 3.554 1 0 KHAFRO CC[C@@H]1C(C(=O)N[C@@H](C)c2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049807505 562686405 /nfs/dbraw/zinc/68/64/05/562686405.db2.gz QHBMSDGVMGLBIY-MHTDFPPDSA-N 1 0 608.805 3.554 1 0 KHAFRO CC[C@H]1C(C(=O)N[C@H](C)c2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049807507 562686401 /nfs/dbraw/zinc/68/64/01/562686401.db2.gz QHBMSDGVMGLBIY-QYHPOFIQSA-N 1 0 608.805 3.554 1 0 KHAFRO CC[C@@H]1C(C(=O)N[C@H](C)c2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049807509 562686411 /nfs/dbraw/zinc/68/64/11/562686411.db2.gz QHBMSDGVMGLBIY-WGCRQIBSSA-N 1 0 608.805 3.554 1 0 KHAFRO CC1=C(C(=O)OCc2ccccc2)[C@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=CN1CC(=O)OC(C)C ZINC000049807680 562686450 /nfs/dbraw/zinc/68/64/50/562686450.db2.gz JADFFYUVUDGVFO-GOQOSDJISA-N 1 0 589.733 3.631 1 0 KHAFRO CC1=C(C(=O)OCc2ccccc2)[C@@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=CN1CC(=O)OC(C)C ZINC000049807681 562686455 /nfs/dbraw/zinc/68/64/55/562686455.db2.gz JADFFYUVUDGVFO-KEPSJGTLSA-N 1 0 589.733 3.631 1 0 KHAFRO CCC[C@@H]1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C ZINC000049807971 562686570 /nfs/dbraw/zinc/68/65/70/562686570.db2.gz KKEZYCVDBBSKPD-FQLPYIGMSA-N 1 0 569.743 3.620 1 0 KHAFRO CCC[C@H]1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C ZINC000049807972 562686540 /nfs/dbraw/zinc/68/65/40/562686540.db2.gz KKEZYCVDBBSKPD-SAAIGDAKSA-N 1 0 569.743 3.620 1 0 KHAFRO CC1=C(C(=O)NOCc2ccccc2)[C@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1CC(=O)OC(C)C ZINC000049808117 562686579 /nfs/dbraw/zinc/68/65/79/562686579.db2.gz AKIOKNCWTMXBTE-GOQOSDJISA-N 1 0 618.775 3.526 1 0 KHAFRO CC1=C(C(=O)NOCc2ccccc2)[C@@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1CC(=O)OC(C)C ZINC000049808118 562686597 /nfs/dbraw/zinc/68/65/97/562686597.db2.gz AKIOKNCWTMXBTE-KEPSJGTLSA-N 1 0 618.775 3.526 1 0 KHAFRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)cc1OC ZINC000049817253 562686802 /nfs/dbraw/zinc/68/68/02/562686802.db2.gz CCSVEVMLVRFELH-VJZNMIETSA-N 1 0 713.898 3.830 1 0 KHAFRO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)cc1OC ZINC000049817256 562686806 /nfs/dbraw/zinc/68/68/06/562686806.db2.gz CCSVEVMLVRFELH-KKADHNJBSA-N 1 0 713.898 3.830 1 0 KHAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)C(C)C)cc1-c1ccccc1 ZINC000049823136 562687028 /nfs/dbraw/zinc/68/70/28/562687028.db2.gz LJVKGYFPIZDODJ-FSEITFBQSA-N 1 0 746.913 3.858 1 0 KHAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O ZINC000049844749 562688591 /nfs/dbraw/zinc/68/85/91/562688591.db2.gz QVYAOFKXMBYFNP-CWTKIQHKSA-N 1 0 648.808 3.904 1 0 KHAFRO COC(=O)N1CC[NH+](C2CCN(c3cc4nc(-c5c(NCCn6cc(Cl)cn6)cc[nH]c5=O)[nH]c4c(C)c3)CC2)CC1 ZINC000049852144 562688859 /nfs/dbraw/zinc/68/88/59/562688859.db2.gz KBLBAKODFLPDCF-UHFFFAOYSA-N 1 0 594.120 3.541 1 0 KHAFRO CC1=C(C(=O)NOCc2ccccc2)[C@@H](c2ccccc2)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O ZINC000049853421 562688822 /nfs/dbraw/zinc/68/88/22/562688822.db2.gz APLQMRZTRIZQPN-HHMOXRITSA-N 1 0 658.821 3.682 1 0 KHAFRO CC1=C(C(=O)NOCc2ccccc2)[C@H](c2ccccc2)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O ZINC000049853424 562688897 /nfs/dbraw/zinc/68/88/97/562688897.db2.gz APLQMRZTRIZQPN-BEJSXWRTSA-N 1 0 658.821 3.682 1 0 KHAFRO CC1=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@@H](C)C(C(=O)OCc2ccccc2)=C(C)N1CC(=O)N(C)C(C)C ZINC000049853443 562688867 /nfs/dbraw/zinc/68/88/67/562688867.db2.gz CMNBTLFYHWUMQQ-XGJRVREISA-N 1 0 616.803 3.937 1 0 KHAFRO CC1=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@H](C)C(C(=O)OCc2ccccc2)=C(C)N1CC(=O)N(C)C(C)C ZINC000049853444 562688894 /nfs/dbraw/zinc/68/88/94/562688894.db2.gz CMNBTLFYHWUMQQ-RJSONGRPSA-N 1 0 616.803 3.937 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2C[C@H]([NH2+]C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049867300 562689401 /nfs/dbraw/zinc/68/94/01/562689401.db2.gz USVYWXKFDORNGX-AKIFATBCSA-N 1 0 550.647 3.991 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2C[C@@H]([NH2+]C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049867302 562689385 /nfs/dbraw/zinc/68/93/85/562689385.db2.gz USVYWXKFDORNGX-ACIOBRDBSA-N 1 0 550.647 3.991 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2C[C@H]([NH2+]C(C)C)CC[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049867304 562689403 /nfs/dbraw/zinc/68/94/03/562689403.db2.gz USVYWXKFDORNGX-YMPZKCBVSA-N 1 0 550.647 3.991 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2C[C@@H]([NH2+]C(C)C)CC[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049867307 562689402 /nfs/dbraw/zinc/68/94/02/562689402.db2.gz USVYWXKFDORNGX-MDNUFGMLSA-N 1 0 550.647 3.991 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000049867552 562689528 /nfs/dbraw/zinc/68/95/28/562689528.db2.gz LJYNEMRCASTSJC-NAKRPHOHSA-N 1 0 560.651 3.701 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000049867554 562689557 /nfs/dbraw/zinc/68/95/57/562689557.db2.gz LJYNEMRCASTSJC-LSYYVWMOSA-N 1 0 560.651 3.701 1 0 KHAFRO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049872006 562689714 /nfs/dbraw/zinc/68/97/14/562689714.db2.gz KEZWGZKGBARAAS-GEUVBUIESA-N 1 0 648.248 3.520 1 0 KHAFRO CN(Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)C1CCN(C(=O)c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000049872390 562689992 /nfs/dbraw/zinc/68/99/92/562689992.db2.gz WWWSJUJRVKJWBV-UHFFFAOYSA-N 1 0 534.664 3.945 1 0 KHAFRO CC(C)(C)c1ccc(S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000049872419 562690031 /nfs/dbraw/zinc/69/00/31/562690031.db2.gz YWXDLWUBXXXTCS-JCYYIGJDSA-N 1 0 542.742 3.659 1 0 KHAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1cccc(Cl)c1Cl ZINC000049872482 562690093 /nfs/dbraw/zinc/69/00/93/562690093.db2.gz NPGZSUFBJBAYBE-TZBSWOFLSA-N 1 0 555.524 3.669 1 0 KHAFRO CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877346 562690122 /nfs/dbraw/zinc/69/01/22/562690122.db2.gz VSIWWORCEGQUCZ-NAKRPHOHSA-N 1 0 560.651 3.788 1 0 KHAFRO CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877348 562690119 /nfs/dbraw/zinc/69/01/19/562690119.db2.gz VSIWWORCEGQUCZ-LSYYVWMOSA-N 1 0 560.651 3.788 1 0 KHAFRO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877440 562690153 /nfs/dbraw/zinc/69/01/53/562690153.db2.gz XKJHWFAMUVWRDJ-NAKRPHOHSA-N 1 0 560.651 3.787 1 0 KHAFRO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877443 562690158 /nfs/dbraw/zinc/69/01/58/562690158.db2.gz XKJHWFAMUVWRDJ-LSYYVWMOSA-N 1 0 560.651 3.787 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000049878075 562690400 /nfs/dbraw/zinc/69/04/00/562690400.db2.gz DBXCQMAAURWGTQ-UHFFFAOYSA-N 1 0 538.870 3.921 1 0 KHAFRO COc1cccc(/C=C/C(=O)N(C)[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]2O6)c1 ZINC000049878431 562690631 /nfs/dbraw/zinc/69/06/31/562690631.db2.gz VYHBCZXTNSVBLC-TVOCXUCUSA-N 1 0 516.638 3.505 1 0 KHAFRO C[NH+](C)CCOc1ccc(-c2nc([C@H](CCCCNS(N)(=O)=O)NC(=O)OCc3ccccc3)cs2)cc1 ZINC000049881503 562690874 /nfs/dbraw/zinc/69/08/74/562690874.db2.gz WSHXYMCKBJYERL-QHCPKHFHSA-N 1 0 561.730 3.681 1 0 KHAFRO O=C(c1cccc([C@]2(C3CC[NH+](Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1)N1CCOCC1 ZINC000049881562 562690913 /nfs/dbraw/zinc/69/09/13/562690913.db2.gz DEMMCQGXWVBNJG-MUUNZHRXSA-N 1 0 554.485 3.508 1 0 KHAFRO O=C(c1cccc([C@@]2(C3CC[NH+](Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1)N1CCOCC1 ZINC000049881563 562690915 /nfs/dbraw/zinc/69/09/15/562690915.db2.gz DEMMCQGXWVBNJG-NDEPHWFRSA-N 1 0 554.485 3.508 1 0 KHAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049881766 562691078 /nfs/dbraw/zinc/69/10/78/562691078.db2.gz ACJHGTKORBIIDI-NOXFTYBFSA-N 1 0 571.687 3.846 1 0 KHAFRO [NH3+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049881779 562691134 /nfs/dbraw/zinc/69/11/34/562691134.db2.gz DGHDLKSOHGUYKO-NFBKMPQASA-N 1 0 575.474 3.998 1 0 KHAFRO [NH3+][C@@H](Cn1c(=O)c(-c2ccc(COC(=O)CO)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049881877 562691265 /nfs/dbraw/zinc/69/12/65/562691265.db2.gz KCCHSZZXJXIDAP-VWLOTQADSA-N 1 0 571.527 3.619 1 0 KHAFRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049881926 562691233 /nfs/dbraw/zinc/69/12/33/562691233.db2.gz OFJDCJAUTJSCNL-SFHVURJKSA-N 1 0 561.482 3.705 1 0 KHAFRO C[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 ZINC000049881933 562691253 /nfs/dbraw/zinc/69/12/53/562691253.db2.gz PIIMSMCFNBYVDH-KPLVRAHFSA-N 1 0 557.660 3.504 1 0 KHAFRO CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(=O)c5ccc(N)cc5)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14 ZINC000049888926 562691607 /nfs/dbraw/zinc/69/16/07/562691607.db2.gz RPDSTWPQRUEWDB-KCEMARDYSA-N 1 0 690.834 3.583 1 0 KHAFRO COCC(=O)N1CC[NH+](C2CCN(c3cc4nc(-c5c(NC[C@@H](O)c6cccc(Cl)c6)cc[nH]c5=O)[nH]c4c(C)c3)CC2)CC1 ZINC000049888958 562691654 /nfs/dbraw/zinc/69/16/54/562691654.db2.gz CFXKXVRFVROHAJ-MUUNZHRXSA-N 1 0 634.181 3.785 1 0 KHAFRO NCC(=O)OCc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)cc1 ZINC000049889035 562691741 /nfs/dbraw/zinc/69/17/41/562691741.db2.gz SYBXHLIANYBTCO-VWLOTQADSA-N 1 0 570.543 3.585 1 0 KHAFRO COCCOCC(=O)N1CC[NH+](C2CCN(c3cc4nc(-c5c(NC[C@@H](O)c6cccc(Cl)c6)cc[nH]c5=O)[nH]c4c(C)c3)CC2)CC1 ZINC000049889196 562691862 /nfs/dbraw/zinc/69/18/62/562691862.db2.gz WCIIYKWDVLHGIY-SSEXGKCCSA-N 1 0 678.234 3.802 1 0 KHAFRO CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c5ccccc5[nH]c4CN([C@@H](CCCC[NH3+])C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 ZINC000049889389 562692057 /nfs/dbraw/zinc/69/20/57/562692057.db2.gz ZRLQSDWBAMIIJJ-LDNVYYCDSA-N 1 0 725.916 3.758 1 0 KHAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N2CCCCS2(=O)=O)c1)c1ccccc1 ZINC000049889407 562692058 /nfs/dbraw/zinc/69/20/58/562692058.db2.gz BQAAFVLWSABVAL-YYSPBGNDSA-N 1 0 604.773 3.562 1 0 KHAFRO CCOc1ccccc1N1CCN(C[C@@H](CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)OC(C)=O)CC1 ZINC000049889408 562692070 /nfs/dbraw/zinc/69/20/70/562692070.db2.gz NEIKTFBMGNOYOW-NDEPHWFRSA-N 1 0 570.690 3.977 1 0 KHAFRO CCOc1ccccc1N1CCN(C[C@H](CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)OC(C)=O)CC1 ZINC000049889409 562692072 /nfs/dbraw/zinc/69/20/72/562692072.db2.gz NEIKTFBMGNOYOW-MUUNZHRXSA-N 1 0 570.690 3.977 1 0 KHAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)C1=O ZINC000049889529 562692179 /nfs/dbraw/zinc/69/21/79/562692179.db2.gz QXADGQIELZITHJ-FJQKOURKSA-N 1 0 676.822 3.925 1 0 KHAFRO Cc1cc(N2CCC([NH+]3CCN(C(=O)OCCO)CC3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049898167 562692266 /nfs/dbraw/zinc/69/22/66/562692266.db2.gz XWUXNFBFVBWTFY-MUUNZHRXSA-N 1 0 650.180 3.741 1 0 KHAFRO CC[C@]1(C)C[C@@H](OC(=O)COC2CCN(C(=O)CCn3cnc4c3ncnc4N3CC[C@H]([NH3+])C3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000049898406 562692518 /nfs/dbraw/zinc/69/25/18/562692518.db2.gz FWFPVPURGIYXCB-BCEHMXHLSA-N 1 0 721.944 3.892 1 0 KHAFRO CC[C@]1(C)C[C@@H](OC(=O)COC2CCN(C(=O)CCn3cnc4c3ncnc4N3CC[C@@H]([NH3+])C3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000049898407 562692502 /nfs/dbraw/zinc/69/25/02/562692502.db2.gz FWFPVPURGIYXCB-PDHDGITESA-N 1 0 721.944 3.892 1 0 KHAFRO C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000049898431 562692545 /nfs/dbraw/zinc/69/25/45/562692545.db2.gz GKOJHXZJAQSEOG-ZYADHFCISA-N 1 0 661.847 3.512 1 0 KHAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)C(C)C)c(-c2ccccc2)c1 ZINC000049898474 562692577 /nfs/dbraw/zinc/69/25/77/562692577.db2.gz MWPOPVMFBYNBAS-FSEITFBQSA-N 1 0 746.913 3.858 1 0 KHAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000049898547 562692621 /nfs/dbraw/zinc/69/26/21/562692621.db2.gz JDNBZTFXBFNSJV-SFGWMHHMSA-N 1 0 655.752 3.514 1 0 KHAFRO O=C(Nc1ccc(I)cc1)Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1 ZINC000049908054 562693448 /nfs/dbraw/zinc/69/34/48/562693448.db2.gz CUUBRSOUVXIZNL-UHFFFAOYSA-N 1 0 578.842 3.993 1 0 KHAFRO Cn1cc(C[N@@H+]2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)[C@H](C(=O)NC(C)(C)C)C2)c2ccccc21 ZINC000049908132 562693495 /nfs/dbraw/zinc/69/34/95/562693495.db2.gz WPECFSSKCMFDKA-MAQOFIERSA-N 1 0 665.879 3.964 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCc2ccccc2)cc(N2CCCCS2(=O)=O)c1 ZINC000049917597 562693616 /nfs/dbraw/zinc/69/36/16/562693616.db2.gz ZGZHPYUBZZKMFV-XZWHSSHBSA-N 1 0 564.752 3.583 1 0 KHAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000049917609 562693648 /nfs/dbraw/zinc/69/36/48/562693648.db2.gz CXSMJSUWUVYFEN-MHZLTWQESA-N 1 0 588.661 3.811 1 0 KHAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1ccc(C)cc1)cc3N(C)S(=O)(=O)CC2 ZINC000049917746 562693862 /nfs/dbraw/zinc/69/38/62/562693862.db2.gz UKWLYOHWARGLPS-MFMCTBQISA-N 1 0 574.747 3.784 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c(OC)c(N2CCCCS2(=O)=O)c1 ZINC000049917827 562693948 /nfs/dbraw/zinc/69/39/48/562693948.db2.gz FGWVYWIOZVPHJW-MFMCTBQISA-N 1 0 610.777 3.557 1 0 KHAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2C)cc(N2CCCCS2(=O)=O)c1 ZINC000049918142 562694486 /nfs/dbraw/zinc/69/44/86/562694486.db2.gz RTPXSXDHPZFEJG-XZWHSSHBSA-N 1 0 594.778 3.857 1 0 KHAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1C)cc3N(C)S(=O)(=O)CC2 ZINC000049918175 562694533 /nfs/dbraw/zinc/69/45/33/562694533.db2.gz WOMRPPRIHDQNOD-MFMCTBQISA-N 1 0 574.747 3.784 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3F)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937578 562694914 /nfs/dbraw/zinc/69/49/14/562694914.db2.gz OMSPTBPDMSPYAS-MUUNZHRXSA-N 1 0 628.453 3.873 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3F)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937579 562694920 /nfs/dbraw/zinc/69/49/20/562694920.db2.gz OMSPTBPDMSPYAS-NDEPHWFRSA-N 1 0 628.453 3.873 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Br)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937599 562694961 /nfs/dbraw/zinc/69/49/61/562694961.db2.gz AZUFHYDJUONZMM-GDLZYMKVSA-N 1 0 638.473 3.569 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Br)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937600 562694954 /nfs/dbraw/zinc/69/49/54/562694954.db2.gz AZUFHYDJUONZMM-LJAQVGFWSA-N 1 0 638.473 3.569 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(F)cc3Br)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937638 562695015 /nfs/dbraw/zinc/69/50/15/562695015.db2.gz AARLHGRGLNRFBC-MUUNZHRXSA-N 1 0 628.453 3.873 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(F)cc3Br)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937639 562695007 /nfs/dbraw/zinc/69/50/07/562695007.db2.gz AARLHGRGLNRFBC-NDEPHWFRSA-N 1 0 628.453 3.873 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(I)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937659 562694991 /nfs/dbraw/zinc/69/49/91/562694991.db2.gz ZUUSLPUTUWAXOT-MUUNZHRXSA-N 1 0 657.463 3.576 1 0 KHAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(I)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937660 562695000 /nfs/dbraw/zinc/69/50/00/562695000.db2.gz ZUUSLPUTUWAXOT-NDEPHWFRSA-N 1 0 657.463 3.576 1 0 KHAFRO CS(=O)(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049937663 562695005 /nfs/dbraw/zinc/69/50/05/562695005.db2.gz ZROHYZUVGTZBOE-UHFFFAOYSA-N 1 0 649.638 3.970 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](C)C1CCCCC1 ZINC000049942448 562695504 /nfs/dbraw/zinc/69/55/04/562695504.db2.gz KIHHZGQBWZPIMS-QHWQCBGESA-N 1 0 681.878 3.746 1 0 in-vivo KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](C)C1CCCCC1 ZINC000049942449 562695494 /nfs/dbraw/zinc/69/54/94/562695494.db2.gz KIHHZGQBWZPIMS-DOAVHBFLSA-N 1 0 681.878 3.746 1 0 in-vivo KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)C1CCCCC1 ZINC000049942452 562695507 /nfs/dbraw/zinc/69/55/07/562695507.db2.gz KIHHZGQBWZPIMS-DCGQFENPSA-N 1 0 681.878 3.746 1 0 in-vivo KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)C1CCCCC1 ZINC000049942453 562695496 /nfs/dbraw/zinc/69/54/96/562695496.db2.gz KIHHZGQBWZPIMS-OLKFNOBJSA-N 1 0 681.878 3.746 1 0 in-vivo KHAFRO CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4N4CC[NH+](C)CC4)c4ncnc(N)c34)cc2s1 ZINC000051768790 562695904 /nfs/dbraw/zinc/69/59/04/562695904.db2.gz PROYLAOFEKHQGS-UHFFFAOYSA-N 1 0 564.679 3.992 1 0 in-vitro KHAFRO COCC[NH+]1CCN(c2cc3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c(C)c2)CC1 ZINC000052716662 562695879 /nfs/dbraw/zinc/69/58/79/562695879.db2.gz UQNVJOYCOQUVLD-XMMPIXPASA-N 1 0 537.064 3.794 1 0 KHAFRO CCNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2c1=O ZINC000053025959 562696154 /nfs/dbraw/zinc/69/61/54/562696154.db2.gz NKVOKKOMBNOQAR-UHFFFAOYSA-N 1 0 523.641 3.515 1 0 KHAFRO CCOC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2c1=O ZINC000053070574 562696161 /nfs/dbraw/zinc/69/61/61/562696161.db2.gz XCJIUNJTUIGAPW-UHFFFAOYSA-N 1 0 524.625 3.942 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2ccc(Cl)cc2)C1 ZINC000053174586 562696380 /nfs/dbraw/zinc/69/63/80/562696380.db2.gz SEHIFGQYCPBYRU-YPAWHYETSA-N 1 0 510.988 3.846 1 0 KHAFRO CCc1c2c(nc3ccc(OCCC[n+]4cccc(F)c4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000053229286 562696660 /nfs/dbraw/zinc/69/66/60/562696660.db2.gz XMHVQXJAGLZUCL-PMERELPUSA-N 1 0 530.576 3.538 1 0 KHAFRO CCc1c2c(nc3ccc(OCCC[n+]4cccc(C(C)=O)c4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000053229823 562696664 /nfs/dbraw/zinc/69/66/64/562696664.db2.gz JHYQJUBSZHNPGF-YTTGMZPUSA-N 1 0 554.623 3.601 1 0 KHAFRO CCc1c2c(nc3ccc(OCCC[n+]4cccc(C)c4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000053243507 562696818 /nfs/dbraw/zinc/69/68/18/562696818.db2.gz NMRXAHHEYOUGFI-HKBQPEDESA-N 1 0 526.613 3.707 1 0 KHAFRO COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)C3(CCCCC3)[NH2+]C[C@@H]2Cc2ccccc2)CC2CCCC2)cc1 ZINC000053267604 562696972 /nfs/dbraw/zinc/69/69/72/562696972.db2.gz BCEKKTUQESVHGP-WUFINQPMSA-N 1 0 583.795 3.983 1 0 KHAFRO C[NH+]1CCN(c2ccc(Nc3ncc4c(n3)N3CCC(=O)N3C(c3cc(O)ccc3Cl)=C4)cc2)CC1 ZINC000053274940 562697029 /nfs/dbraw/zinc/69/70/29/562697029.db2.gz PAMDZUAYRSYBHT-UHFFFAOYSA-N 1 0 503.994 3.796 1 0 KHAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000053276334 562697077 /nfs/dbraw/zinc/69/70/77/562697077.db2.gz OYCDRQPYDYHGPD-AREMUKBSSA-N 1 0 623.198 3.858 1 0 KHAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000053276335 562697074 /nfs/dbraw/zinc/69/70/74/562697074.db2.gz OYCDRQPYDYHGPD-SANMLTNESA-N 1 0 623.198 3.858 1 0 KHAFRO CNC(=O)c1ccc(OC)c(OCC[NH+](C)C)c1-c1c(C(=O)NC)ccc(OC)c1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000053276419 562697062 /nfs/dbraw/zinc/69/70/62/562697062.db2.gz WWGHIYHJPQMEDF-UHFFFAOYSA-N 1 0 617.074 3.840 1 0 KHAFRO O=C(NCc1cc(-c2ccc(=O)n(CCC[NH+]3CCC(N4CCCC4=O)CC3)n2)ccc1Cl)c1ccccc1 ZINC000053296288 562697374 /nfs/dbraw/zinc/69/73/74/562697374.db2.gz POLJARPEQBFLGX-UHFFFAOYSA-N 1 0 548.087 3.971 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(CNC(=O)c4ccccc4)c3)nn2CCC[NH+]2CCCC2)C1 ZINC000053312727 562697615 /nfs/dbraw/zinc/69/76/15/562697615.db2.gz BTVXABDEYIQMIR-UHFFFAOYSA-N 1 0 556.132 3.937 1 0 KHAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc(F)cc2C(=O)NCCO)n1 ZINC000055753263 562697777 /nfs/dbraw/zinc/69/77/77/562697777.db2.gz SLOHQMPCYXWRKN-UHFFFAOYSA-N 1 0 562.650 3.845 1 0 KHAFRO O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C[NH+]1CCCC1)Nc1ccc(-n2ccccc2=O)cc1F ZINC000056834525 562697820 /nfs/dbraw/zinc/69/78/20/562697820.db2.gz GUAAWHKIGRPHKA-QUCCMNQESA-N 1 0 558.079 3.599 1 0 KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000058468460 562697957 /nfs/dbraw/zinc/69/79/57/562697957.db2.gz NWJNHJWSZAHOBB-RJSONGRPSA-N 1 0 607.773 3.724 1 0 KHAFRO COc1ccccc1N(c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)c1)S(C)(=O)=O ZINC000058468462 562697920 /nfs/dbraw/zinc/69/79/20/562697920.db2.gz LWYYRFSTHDYJTQ-YKZUFBCQSA-N 1 0 636.815 3.922 1 0 KHAFRO CCO[C@]1(C)CC[N@@H+]2C[C@@]34C[C@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000058482449 562698047 /nfs/dbraw/zinc/69/80/47/562698047.db2.gz VGSHAQPNELLPIN-DHCAOQKHSA-N 1 0 521.658 3.840 1 0 KHAFRO COc1ccc2ncc(F)c(CC[N@@H+]3C[C@H]4CCC[C@@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000058487815 562698198 /nfs/dbraw/zinc/69/81/98/562698198.db2.gz SRAVTNUCBHQYLG-XGCWNURASA-N 1 0 522.650 3.651 1 0 KHAFRO O=C(CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)C1C2CC3CC(C2)CC1C3 ZINC000058500455 562698229 /nfs/dbraw/zinc/69/82/29/562698229.db2.gz CWYQQNFWYKYBDI-XYHQLRHCSA-N 1 0 519.682 3.983 1 0 KHAFRO O=C(N[C@@H](CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cn3)C[C@H]2C1)c1cccc(F)c1)[C@H]1CCOC1 ZINC000058502268 562698289 /nfs/dbraw/zinc/69/82/89/562698289.db2.gz JCFGNVQKALNTTE-GJPOJAMWSA-N 1 0 534.554 3.527 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000058503296 562698313 /nfs/dbraw/zinc/69/83/13/562698313.db2.gz HRSKRFLJBFZQHV-AMSOURPBSA-N 1 0 547.696 3.534 1 0 KHAFRO CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058512901 562698445 /nfs/dbraw/zinc/69/84/45/562698445.db2.gz MPSUCFFGDLOVOA-MJHNFSNPSA-N 1 0 612.856 3.964 1 0 KHAFRO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(-c4nc(N5C[C@H]6CC[C@@H](C5)O6)nc(N5C[C@H]6CC[C@@H](C5)O6)n4)cc3)cc2)CC1 ZINC000058523735 562698518 /nfs/dbraw/zinc/69/85/18/562698518.db2.gz BTQDPEATCSVQBM-FXCIUYFGSA-N 1 0 611.751 3.670 1 0 KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCOC3=O)c2)CCCCC1 ZINC000058534588 562698694 /nfs/dbraw/zinc/69/86/94/562698694.db2.gz YXVNISVSDYADOS-LOSJGSFVSA-N 1 0 501.574 3.779 1 0 KHAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc(Cl)cc1)N(C)[C@H]2c1ccc(Cl)cc1 ZINC000058537960 562698760 /nfs/dbraw/zinc/69/87/60/562698760.db2.gz MUNCDYSDMHCDQC-OTLGMJNYSA-N 1 0 505.398 3.555 1 0 KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCCNC3=O)c2)CCCCC1 ZINC000058538370 562698848 /nfs/dbraw/zinc/69/88/48/562698848.db2.gz ZKBURWOWKRJMHV-IZZNHLLZSA-N 1 0 514.617 3.742 1 0 KHAFRO COC(=O)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)cc1 ZINC000058538438 562698820 /nfs/dbraw/zinc/69/88/20/562698820.db2.gz QFCGQKZCLMPAOY-VJGNERBWSA-N 1 0 503.643 3.915 1 0 KHAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 ZINC000058538468 562698888 /nfs/dbraw/zinc/69/88/88/562698888.db2.gz SMGIPPNIBFQJBW-SXOMAYOGSA-N 1 0 575.175 3.865 1 0 in-vitro KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCCOCC3=O)c2)CCCCC1 ZINC000058540936 562698901 /nfs/dbraw/zinc/69/89/01/562698901.db2.gz PCWSXIPKKVFNIH-RRPNLBNLSA-N 1 0 529.628 3.575 1 0 KHAFRO CC(C)CCN1CC[N@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000058543144 562699025 /nfs/dbraw/zinc/69/90/25/562699025.db2.gz YCZLRPWCDVKCFZ-SVBPBHIXSA-N 1 0 537.701 3.937 1 0 KHAFRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000058549922 562699172 /nfs/dbraw/zinc/69/91/72/562699172.db2.gz OFJDCJAUTJSCNL-GOSISDBHSA-N 1 0 561.482 3.705 1 0 KHAFRO CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000058549974 562699132 /nfs/dbraw/zinc/69/91/32/562699132.db2.gz SCDFUEMRXCQRSO-QABMSTFYSA-N 1 0 530.625 3.997 1 0 KHAFRO CCCN1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000058553518 562699239 /nfs/dbraw/zinc/69/92/39/562699239.db2.gz INPOAGGWPPCRMS-RPWUZVMVSA-N 1 0 594.704 3.667 1 0 KHAFRO COC(=O)CNC12C[C@H]3C[C@@H](C1)CC(NC(=O)[C@H](CCCC[NH3+])NC(=O)OCC1c4ccccc4-c4ccccc41)(C3)C2 ZINC000058562385 562699365 /nfs/dbraw/zinc/69/93/65/562699365.db2.gz AVRVTQLIGHQTOM-ROLUQURLSA-N 1 0 588.749 3.993 1 0 KHAFRO O=C(NCC[NH+]1CCCC1)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc32)CC1 ZINC000058568964 562699522 /nfs/dbraw/zinc/69/95/22/562699522.db2.gz UAMLGEIEHRHDDB-UHFFFAOYSA-N 1 0 529.689 3.711 1 0 KHAFRO CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000058581085 562699772 /nfs/dbraw/zinc/69/97/72/562699772.db2.gz MAJHTPOIAFPGQS-YZNIXAGQSA-N 1 0 611.743 3.775 1 0 KHAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)nn2cc1-c1ccc(F)c(Cl)c1 ZINC000058581386 562699801 /nfs/dbraw/zinc/69/98/01/562699801.db2.gz YNKPWSNBOYIQAJ-UHFFFAOYSA-N 1 0 504.006 3.735 1 0 KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000058581797 562699878 /nfs/dbraw/zinc/69/98/78/562699878.db2.gz HRCZMIYCTNBPAO-FWGANANOSA-N 1 0 620.816 3.636 1 0 KHAFRO COc1cccc(N(c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+][C@@H](C)C(=O)NC3CCCCC3)c2)S(C)(=O)=O)c1 ZINC000058581804 562699875 /nfs/dbraw/zinc/69/98/75/562699875.db2.gz FRUZRFQTENRJJT-JPBRBXQBSA-N 1 0 636.815 3.922 1 0 KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000058582061 562699926 /nfs/dbraw/zinc/69/99/26/562699926.db2.gz YFNHYENPPGZMJV-RJSONGRPSA-N 1 0 591.774 3.790 1 0 KHAFRO COc1ccc(N(c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+][C@@H](C)C(=O)NC3CCCCC3)c2)S(C)(=O)=O)cc1 ZINC000058583585 562700126 /nfs/dbraw/zinc/70/01/26/562700126.db2.gz WZNIQJLAQZGRNG-JPBRBXQBSA-N 1 0 636.815 3.922 1 0 KHAFRO O=C(Nc1ccc(Cl)cc1)[C@H]1C[N@@H+](CCF)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058583956 562700227 /nfs/dbraw/zinc/70/02/27/562700227.db2.gz ZPDSAWYSHUBVEN-PMACEKPBSA-N 1 0 500.933 3.725 1 0 KHAFRO C[C@@H]([NH2+]C1CC1)c1cc(N2CCN(C)C2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c([O-])c(=O)n2c1 ZINC000058590617 562700291 /nfs/dbraw/zinc/70/02/91/562700291.db2.gz FQCFJEIUSGDRSI-OAHLLOKOSA-N 1 0 534.617 3.938 1 0 KHAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCCC[NH+]3CCCCC3)nn2cc1-c1cccc(Cl)c1 ZINC000058591386 562700474 /nfs/dbraw/zinc/70/04/74/562700474.db2.gz IEUCHEAUWJGKKD-UHFFFAOYSA-N 1 0 500.043 3.986 1 0 KHAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)nn2cc1-c1cccc(OC(F)(F)F)c1 ZINC000058591526 562700442 /nfs/dbraw/zinc/70/04/42/562700442.db2.gz DUOJMHABASBQOT-UHFFFAOYSA-N 1 0 535.567 3.841 1 0 KHAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)nn2cc1-c1cccc(Cl)c1F ZINC000058591528 562700447 /nfs/dbraw/zinc/70/04/47/562700447.db2.gz HCDIYJAVIXHPFZ-UHFFFAOYSA-N 1 0 504.006 3.735 1 0 KHAFRO COc1cccc(-c2cn3cc(OCCC[NH+]4CCCCC4)cc3c(=O)n2CC(=O)NCC(F)(F)F)c1 ZINC000058591829 562700513 /nfs/dbraw/zinc/70/05/13/562700513.db2.gz LRGDQQOFQRJXRW-UHFFFAOYSA-N 1 0 520.552 3.710 1 0 KHAFRO Cc1cc(C)c(C(=O)OCC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1 ZINC000058592734 562700662 /nfs/dbraw/zinc/70/06/62/562700662.db2.gz RRQJICOGNMRAQH-NSOVKSMOSA-N 1 0 615.731 3.624 1 0 KHAFRO CC(C)OCCn1c2ccccc2n(C2CCN(C(=O)C3CC[NH+](Cc4ccncc4)CC3)CC2)c1=O ZINC000058592859 562700719 /nfs/dbraw/zinc/70/07/19/562700719.db2.gz CORLLIXOPXNVDA-UHFFFAOYSA-N 1 0 505.663 3.699 1 0 KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000058594229 562700707 /nfs/dbraw/zinc/70/07/07/562700707.db2.gz FSQREXFFFRKDCI-KEPSJGTLSA-N 1 0 592.762 3.616 1 0 KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000058594232 562700683 /nfs/dbraw/zinc/70/06/83/562700683.db2.gz AFGVBPYOFPPOQR-RJSONGRPSA-N 1 0 591.774 3.790 1 0 KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2ccccc2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000058603088 562700893 /nfs/dbraw/zinc/70/08/93/562700893.db2.gz PSSKPAZTPVDDNS-RJSONGRPSA-N 1 0 606.789 3.913 1 0 in-vitro KHAFRO CSC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000058615914 562701055 /nfs/dbraw/zinc/70/10/55/562701055.db2.gz MATDMESVLVWDAX-KRCBVYEFSA-N 1 0 619.832 3.554 1 0 KHAFRO CC(C)[C@@H]1NC(=O)/C=C\CCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058617974 562701048 /nfs/dbraw/zinc/70/10/48/562701048.db2.gz OOFHOBZEPRIFQH-HGGOGFGUSA-N 1 0 610.840 3.740 1 0 KHAFRO CCCCN1C(=O)N(Cc2cccc(C(=[NH2+])NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc([C@H](C)O)c1 ZINC000058648991 562701246 /nfs/dbraw/zinc/70/12/46/562701246.db2.gz HCMXOTAJEZTHKA-UNUDWIFVSA-N 1 0 609.749 3.660 1 0 KHAFRO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[N@@H+](CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)c1 ZINC000058649504 562701300 /nfs/dbraw/zinc/70/13/00/562701300.db2.gz SNQUCRZVXQAIQK-VJGNERBWSA-N 1 0 503.643 3.915 1 0 KHAFRO CC[NH+](CC)CCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1 ZINC000058649642 562701268 /nfs/dbraw/zinc/70/12/68/562701268.db2.gz MOXFYRJTMGBJQV-CTRNRRKFSA-N 1 0 745.987 3.979 1 0 in-vivo KHAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 ZINC000058651317 562701347 /nfs/dbraw/zinc/70/13/47/562701347.db2.gz AAEYBQRVLJBANX-RJSONGRPSA-N 1 0 606.789 3.758 1 0 KHAFRO O=C(C[C@H]1C[N@H+](Cc2cccc3ccccc32)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000058678206 562701548 /nfs/dbraw/zinc/70/15/48/562701548.db2.gz HSHZHZBGDQDOAU-SANMLTNESA-N 1 0 561.646 3.942 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH2+]C(C)C)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000059046440 562701681 /nfs/dbraw/zinc/70/16/81/562701681.db2.gz HTGCOGKGWKXISK-YSZBQJHXSA-N 1 0 565.662 3.573 1 0 KHAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000059047830 562701693 /nfs/dbraw/zinc/70/16/93/562701693.db2.gz IVTMMMPCGZQPLK-CLJLJLNGSA-N 1 0 592.684 3.764 1 0 KHAFRO CC[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc2N(C)C1=O ZINC000059222516 562701905 /nfs/dbraw/zinc/70/19/05/562701905.db2.gz QEIJYXMTALGXJH-GDLZYMKVSA-N 1 0 553.683 3.897 1 0 KHAFRO CC[C@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc2N(C)C1=O ZINC000059222517 562701899 /nfs/dbraw/zinc/70/18/99/562701899.db2.gz QEIJYXMTALGXJH-LJAQVGFWSA-N 1 0 553.683 3.897 1 0 KHAFRO Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H]([NH3+])C4)n(Cc4cc(F)ccc4Cl)c3c(=O)n(C)c2c1 ZINC000059717449 562702165 /nfs/dbraw/zinc/70/21/65/562702165.db2.gz DXXOZVDBJMTATC-LJQANCHMSA-N 1 0 596.015 3.868 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CC[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000059779321 562702246 /nfs/dbraw/zinc/70/22/46/562702246.db2.gz YLOOVLOMQTYREV-UHFFFAOYSA-N 1 0 545.413 3.846 1 0 KHAFRO O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C[NH+]2CCCC2)C1 ZINC000060325028 562702640 /nfs/dbraw/zinc/70/26/40/562702640.db2.gz RSECRMOYVYYDGW-UHFFFAOYSA-N 1 0 531.316 3.735 1 0 KHAFRO CC(C)[NH2+]CC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 ZINC000060325879 562702672 /nfs/dbraw/zinc/70/26/72/562702672.db2.gz PIZSULWGRRPCLE-UHFFFAOYSA-N 1 0 519.305 3.637 1 0 KHAFRO CCCCNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])CN(C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000062188945 562704336 /nfs/dbraw/zinc/70/43/36/562704336.db2.gz NGPMIGMGKFRAJT-GSDHBNRESA-N 1 0 521.743 3.782 1 0 KHAFRO COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CC[NH3+])[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O ZINC000064245748 562704600 /nfs/dbraw/zinc/70/46/00/562704600.db2.gz ZDULASPLGWWYKL-CYWWGENVSA-N 1 0 544.648 3.661 1 0 KHAFRO O=C(N[C@@H](CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cn3)C[C@H]2C1)c1cccc(F)c1)[C@@H]1CCOC1 ZINC000064264731 562704699 /nfs/dbraw/zinc/70/46/99/562704699.db2.gz JCFGNVQKALNTTE-UGTOYMOASA-N 1 0 534.554 3.527 1 0 KHAFRO COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCC[NH3+])[C@H](OCc2ccc(Cl)cc2)[C@@H]1O ZINC000064415784 562705001 /nfs/dbraw/zinc/70/50/01/562705001.db2.gz DNXIUBYQOBCOCP-KMGUSPSJSA-N 1 0 543.060 3.551 1 0 KHAFRO CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CC[NH3+] ZINC000064417078 562705114 /nfs/dbraw/zinc/70/51/14/562705114.db2.gz YESYBWIRYWKZCG-MGDFUXISSA-N 1 0 545.101 3.878 1 0 KHAFRO O=C(NCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000064426339 562705136 /nfs/dbraw/zinc/70/51/36/562705136.db2.gz UGINRQRGYNEXNI-UHFFFAOYSA-N 1 0 507.432 3.761 1 0 KHAFRO COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NCCC[NH3+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O ZINC000064426540 562705134 /nfs/dbraw/zinc/70/51/34/562705134.db2.gz CIBCLOVNEMIEGJ-JQPIIJRMSA-N 1 0 515.050 3.634 1 0 KHAFRO COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NCCC[NH3+])[C@H](OCc2ccc(Cl)cc2)[C@@H]1O ZINC000064426542 562705100 /nfs/dbraw/zinc/70/51/00/562705100.db2.gz CIBCLOVNEMIEGJ-VNFNVIIVSA-N 1 0 515.050 3.634 1 0 KHAFRO COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NCCC[NH3+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O ZINC000064426545 562705106 /nfs/dbraw/zinc/70/51/06/562705106.db2.gz CIBCLOVNEMIEGJ-FXGKLIOSSA-N 1 0 515.050 3.634 1 0 KHAFRO COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NCCC[NH3+])[C@H](OCc2ccc(Cl)cc2)[C@@H]1O ZINC000064426547 562705132 /nfs/dbraw/zinc/70/51/32/562705132.db2.gz CIBCLOVNEMIEGJ-QXLMEFJZSA-N 1 0 515.050 3.634 1 0 KHAFRO COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NCC[NH3+])[C@@H](OCc2cccc3ccccc32)[C@@H]1O ZINC000064426577 562705146 /nfs/dbraw/zinc/70/51/46/562705146.db2.gz JZSIKYNJUZUNNX-JQWMYKLHSA-N 1 0 516.638 3.744 1 0 KHAFRO COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NCC[NH3+])[C@H](OCc2cccc3ccccc32)[C@@H]1O ZINC000064426580 562705131 /nfs/dbraw/zinc/70/51/31/562705131.db2.gz JZSIKYNJUZUNNX-NZUWZFMJSA-N 1 0 516.638 3.744 1 0 KHAFRO COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NCC[NH3+])[C@@H](OCc2cccc3ccccc32)[C@@H]1O ZINC000064426582 562705122 /nfs/dbraw/zinc/70/51/22/562705122.db2.gz JZSIKYNJUZUNNX-CWMPKMHISA-N 1 0 516.638 3.744 1 0 KHAFRO COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NCC[NH3+])[C@H](OCc2cccc3ccccc32)[C@@H]1O ZINC000064426583 562705123 /nfs/dbraw/zinc/70/51/23/562705123.db2.gz JZSIKYNJUZUNNX-DXKYAHCESA-N 1 0 516.638 3.744 1 0 KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@H]3[C@H](C=C2)CCC[N@@H+]3CCNC(C)=O)cc1 ZINC000064436432 562705158 /nfs/dbraw/zinc/70/51/58/562705158.db2.gz DNDZDOQKOIGLKC-YBAOVTMCSA-N 1 0 618.775 3.673 1 0 KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@H]3[C@@H](C=C2)CCC[N@@H+]3CCNC(C)=O)cc1 ZINC000064436434 562705151 /nfs/dbraw/zinc/70/51/51/562705151.db2.gz DNDZDOQKOIGLKC-JUQKIHQQSA-N 1 0 618.775 3.673 1 0 KHAFRO [NH3+][C@@H](CC(=O)N1CCN2C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@@H]2C1)Cc1cc(F)c(F)cc1F ZINC000064454476 562705751 /nfs/dbraw/zinc/70/57/51/562705751.db2.gz ZTHDSZXOTUVZFP-WBVHZDCISA-N 1 0 500.443 3.536 1 0 KHAFRO [NH3+][C@@H](CC(=O)N1CCN2C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@H]2C1)Cc1cc(F)c(F)cc1F ZINC000064454478 562705765 /nfs/dbraw/zinc/70/57/65/562705765.db2.gz ZTHDSZXOTUVZFP-NVXWUHKLSA-N 1 0 500.443 3.536 1 0 KHAFRO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000064480313 562705877 /nfs/dbraw/zinc/70/58/77/562705877.db2.gz IEJKFYIVTNQIEA-RMXYQJDTSA-N 1 0 504.675 3.556 1 0 KHAFRO C[NH2+][C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000064480315 562705856 /nfs/dbraw/zinc/70/58/56/562705856.db2.gz IEJKFYIVTNQIEA-FZBZCGEPSA-N 1 0 504.675 3.556 1 0 KHAFRO [NH3+]CCOCCOCCOCCOCCOCCNC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 ZINC000064491731 562705970 /nfs/dbraw/zinc/70/59/70/562705970.db2.gz RDIBDKRYTBBYJX-UHFFFAOYSA-N 1 0 637.656 3.557 1 0 KHAFRO C[N@@H+]1CCC12CCN(C(=O)OC1([C@H]3COC[C@@H](CC4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC1)CC2 ZINC000064503680 562706106 /nfs/dbraw/zinc/70/61/06/562706106.db2.gz JGLTVCVKQGVHKR-FYYLOGMGSA-N 1 0 538.110 3.738 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc21)C(C)C ZINC000064503856 562706082 /nfs/dbraw/zinc/70/60/82/562706082.db2.gz ZYKUINLWYTZBHX-FAQZDJIUSA-N 1 0 575.710 3.718 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CN(C(=O)CC(C)C)C3)C[C@@H]2C1 ZINC000064503960 562706091 /nfs/dbraw/zinc/70/60/91/562706091.db2.gz TWHQUHAKEQPJPV-WEWMWRJBSA-N 1 0 503.691 3.776 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CN(C(=O)CC(C)C)C3)C[C@@H]2C1 ZINC000064503962 562706096 /nfs/dbraw/zinc/70/60/96/562706096.db2.gz TWHQUHAKEQPJPV-CMTIAEDTSA-N 1 0 503.691 3.776 1 0 KHAFRO COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCC[NH3+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O ZINC000064510553 562706176 /nfs/dbraw/zinc/70/61/76/562706176.db2.gz DNXIUBYQOBCOCP-SRUILXRCSA-N 1 0 543.060 3.551 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(S(=O)(=O)CC(F)(F)F)CC3)C[C@@H]2C1 ZINC000064512666 562706259 /nfs/dbraw/zinc/70/62/59/562706259.db2.gz CCCRTBYFTKRTGH-NXCFDTQHSA-N 1 0 593.716 3.875 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(S(=O)(=O)CC(F)(F)F)CC3)C[C@@H]2C1 ZINC000064512669 562706271 /nfs/dbraw/zinc/70/62/71/562706271.db2.gz CCCRTBYFTKRTGH-UODIDJSMSA-N 1 0 593.716 3.875 1 0 KHAFRO COC(=O)N1CCC([C@@H](CC[N@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064513316 562706369 /nfs/dbraw/zinc/70/63/69/562706369.db2.gz IUENSEDRGKTRGA-NXCFDTQHSA-N 1 0 505.663 3.750 1 0 KHAFRO COC(=O)N1CCC([C@H](CC[N@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064513319 562706377 /nfs/dbraw/zinc/70/63/77/562706377.db2.gz IUENSEDRGKTRGA-UODIDJSMSA-N 1 0 505.663 3.750 1 0 KHAFRO OCc1cc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)ccc1O ZINC000064513557 562706412 /nfs/dbraw/zinc/70/64/12/562706412.db2.gz JAWXHDKXUFJTPJ-SFHVURJKSA-N 1 0 512.657 3.616 1 0 KHAFRO OCc1cc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)ccc1O ZINC000064513559 562706446 /nfs/dbraw/zinc/70/64/46/562706446.db2.gz JAWXHDKXUFJTPJ-GOSISDBHSA-N 1 0 512.657 3.616 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CN(CC(F)(F)F)C3)C[C@@H]2C1 ZINC000064514064 562706533 /nfs/dbraw/zinc/70/65/33/562706533.db2.gz KHJSAQHDNAQQMO-ZDXQCDESSA-N 1 0 501.597 3.765 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CN(CC(F)(F)F)C3)C[C@@H]2C1 ZINC000064514066 562706531 /nfs/dbraw/zinc/70/65/31/562706531.db2.gz KHJSAQHDNAQQMO-AOHZBQACSA-N 1 0 501.597 3.765 1 0 KHAFRO c1ccc2c(c1)cc(-c1ccc(C[NH2+]CCCN3CCOCC3)nc1)cc2NCCCN1CCOCC1 ZINC000064516244 562706511 /nfs/dbraw/zinc/70/65/11/562706511.db2.gz CIBGPVYQSFBUIH-UHFFFAOYSA-N 1 0 503.691 3.848 1 0 KHAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCc3c(C(=O)NC5CC5)ncn3-4)CC2)n1 ZINC000064516440 562706568 /nfs/dbraw/zinc/70/65/68/562706568.db2.gz BSRXZCMRRHEYBS-UHFFFAOYSA-N 1 0 508.626 3.878 1 0 KHAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCc3c(C(=O)N5CCC5)ncn3-4)CC2)n1 ZINC000064521340 562706609 /nfs/dbraw/zinc/70/66/09/562706609.db2.gz XTTVYRBLHGZCPO-UHFFFAOYSA-N 1 0 508.626 3.832 1 0 KHAFRO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NCC[C@@H]4CCC[N@@H+]4C)ccc3OC(F)(F)F)ncc1CC2 ZINC000064526298 562706579 /nfs/dbraw/zinc/70/65/79/562706579.db2.gz JVZPJOJXJIONKU-INIZCTEOSA-N 1 0 530.555 3.613 1 0 KHAFRO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NCC[C@H]4CCC[N@@H+]4C)ccc3OC(F)(F)F)ncc1CC2 ZINC000064526301 562706595 /nfs/dbraw/zinc/70/65/95/562706595.db2.gz JVZPJOJXJIONKU-MRXNPFEDSA-N 1 0 530.555 3.613 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000064527108 562706750 /nfs/dbraw/zinc/70/67/50/562706750.db2.gz JNVWQTNIDLAFGO-PTJQVGQKSA-N 1 0 594.757 3.724 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000064527179 562706803 /nfs/dbraw/zinc/70/68/03/562706803.db2.gz XEHDNUAZHGCRFS-PTJQVGQKSA-N 1 0 594.757 3.724 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1ccc(CC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000064527180 562706798 /nfs/dbraw/zinc/70/67/98/562706798.db2.gz SUTVCQKAKUHGLH-NBTVYNQOSA-N 1 0 608.784 3.653 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000064527473 562706967 /nfs/dbraw/zinc/70/69/67/562706967.db2.gz MNBXERPIBNFJMW-REUBFRLUSA-N 1 0 515.702 3.920 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000064527474 562706985 /nfs/dbraw/zinc/70/69/85/562706985.db2.gz MNBXERPIBNFJMW-FULLSBAXSA-N 1 0 515.702 3.920 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCCCCC(=O)Nc1ccc(CC[NH3+])cc1 ZINC000064527510 562707030 /nfs/dbraw/zinc/70/70/30/562707030.db2.gz FEGHIKWSQPFPMK-ONALNCHISA-N 1 0 596.773 3.701 1 0 KHAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@@H]([NH3+])CC(C)C)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064528043 562707232 /nfs/dbraw/zinc/70/72/32/562707232.db2.gz ISMTUNKCKFRCPY-IBGZPJMESA-N 1 0 550.641 3.960 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CCN(S(=O)(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064528054 562707275 /nfs/dbraw/zinc/70/72/75/562707275.db2.gz YWUQJCUUNVCNFS-IARZGTGTSA-N 1 0 553.773 3.721 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CCN(S(=O)(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064528055 562707259 /nfs/dbraw/zinc/70/72/59/562707259.db2.gz YWUQJCUUNVCNFS-OZNIXHKMSA-N 1 0 553.773 3.721 1 0 KHAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@@H]([NH3+])C(C)C)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064528464 562707358 /nfs/dbraw/zinc/70/73/58/562707358.db2.gz UKKRUIXIDCWALA-QFIPXVFZSA-N 1 0 536.614 3.569 1 0 KHAFRO CC1([C@@H]2COC[C@H](COC(=O)N3CCC([NH+]4CCCCC4)CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064528466 562707370 /nfs/dbraw/zinc/70/73/70/562707370.db2.gz UMWLKNMSOMCHSO-VWNXMTODSA-N 1 0 540.126 3.985 1 0 KHAFRO Cc1occc1-c1nnc(SCC(=O)N(c2cc(C)cc(C)c2)[C@@H]2C[NH2+]CCN2)n1Cc1ccco1 ZINC000064528534 562707372 /nfs/dbraw/zinc/70/73/72/562707372.db2.gz RUVCHKOAAPLXEB-HSZRJFAPSA-N 1 0 506.632 3.749 1 0 KHAFRO Cc1occc1-c1nnc(SCC(=O)N(c2cc(C)cc(C)c2)[C@H]2C[NH2+]CCN2)n1Cc1ccco1 ZINC000064528535 562707360 /nfs/dbraw/zinc/70/73/60/562707360.db2.gz RUVCHKOAAPLXEB-QHCPKHFHSA-N 1 0 506.632 3.749 1 0 KHAFRO Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 ZINC000064532203 562707454 /nfs/dbraw/zinc/70/74/54/562707454.db2.gz LOUJUHXSEIKQEB-NDEPHWFRSA-N 1 0 569.724 3.589 1 0 KHAFRO CCC(=O)N1CCC([C@@H](CC[N@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064539025 562707483 /nfs/dbraw/zinc/70/74/83/562707483.db2.gz MLRSFEBXUGRGTR-VJGNERBWSA-N 1 0 503.691 3.920 1 0 KHAFRO CCC(=O)N1CCC([C@H](CC[N@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064539026 562707486 /nfs/dbraw/zinc/70/74/86/562707486.db2.gz MLRSFEBXUGRGTR-KWXIBIRDSA-N 1 0 503.691 3.920 1 0 KHAFRO OCc1ccc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1O ZINC000064539542 562707578 /nfs/dbraw/zinc/70/75/78/562707578.db2.gz WBFTUDPFMMKOMZ-NRFANRHFSA-N 1 0 506.628 3.555 1 0 KHAFRO OCc1ccc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1O ZINC000064539544 562707562 /nfs/dbraw/zinc/70/75/62/562707562.db2.gz WBFTUDPFMMKOMZ-OAQYLSRUSA-N 1 0 506.628 3.555 1 0 KHAFRO O=C(c1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1)N1CCOCC1 ZINC000064539764 562707582 /nfs/dbraw/zinc/70/75/82/562707582.db2.gz KJRJFCYUWPYYSW-VWLOTQADSA-N 1 0 573.719 3.829 1 0 KHAFRO O=C(c1cccc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1)N1CCOCC1 ZINC000064539767 562707568 /nfs/dbraw/zinc/70/75/68/562707568.db2.gz KJRJFCYUWPYYSW-RUZDIDTESA-N 1 0 573.719 3.829 1 0 KHAFRO OCc1cc(O)ccc1OC[C@@H](O)C[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064548600 562707874 /nfs/dbraw/zinc/70/78/74/562707874.db2.gz HEXJTFCXRZMDNT-QFIPXVFZSA-N 1 0 506.628 3.555 1 0 KHAFRO OCc1cc(O)ccc1OC[C@H](O)C[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064548601 562707899 /nfs/dbraw/zinc/70/78/99/562707899.db2.gz HEXJTFCXRZMDNT-JOCHJYFZSA-N 1 0 506.628 3.555 1 0 KHAFRO CNC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064548767 562707917 /nfs/dbraw/zinc/70/79/17/562707917.db2.gz FBXVPQASKLUHKP-JOCHJYFZSA-N 1 0 517.655 3.716 1 0 KHAFRO CNC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064548768 562707943 /nfs/dbraw/zinc/70/79/43/562707943.db2.gz FBXVPQASKLUHKP-QFIPXVFZSA-N 1 0 517.655 3.716 1 0 KHAFRO COc1ccc(C[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N2CC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000064548792 562707933 /nfs/dbraw/zinc/70/79/33/562707933.db2.gz QKKNJLFVWMLFBP-PMACEKPBSA-N 1 0 504.418 3.617 1 0 KHAFRO Cc1c(-c2ccccc2)sc2ncnc(N3CCC([NH2+]C[C@H](O)COc4ccc(O)c(CO)c4)CC3)c12 ZINC000064549117 562708015 /nfs/dbraw/zinc/70/80/15/562708015.db2.gz KWLVQTDQPNAUAP-QFIPXVFZSA-N 1 0 520.655 3.863 1 0 KHAFRO Cc1c(-c2ccccc2)sc2ncnc(N3CCC([NH2+]C[C@@H](O)COc4ccc(O)c(CO)c4)CC3)c12 ZINC000064549118 562707995 /nfs/dbraw/zinc/70/79/95/562707995.db2.gz KWLVQTDQPNAUAP-JOCHJYFZSA-N 1 0 520.655 3.863 1 0 KHAFRO CCOC(=O)c1c(CCC[NH+](C)C)n2nc(N3CCOCC3)cc(-c3ccccc3)c2c1C(=O)OCC ZINC000064549120 562707991 /nfs/dbraw/zinc/70/79/91/562707991.db2.gz OOVWSGNNPKQZPT-UHFFFAOYSA-N 1 0 508.619 3.686 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000064560486 562708517 /nfs/dbraw/zinc/70/85/17/562708517.db2.gz IEJKFYIVTNQIEA-IDNYDCHQSA-N 1 0 504.675 3.556 1 0 KHAFRO CC(C)(Cc1cccc(CC(=O)NCc2ccc(O)cc2Cl)c1)[NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 ZINC000064564479 562708552 /nfs/dbraw/zinc/70/85/52/562708552.db2.gz SMZMQFAPMPRASR-SANMLTNESA-N 1 0 576.115 3.626 1 0 KHAFRO Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccc(CN5CC[NH2+]CC5)s4)nc4ccccc43)CC2)cc1 ZINC000064622525 562708897 /nfs/dbraw/zinc/70/88/97/562708897.db2.gz YFDROVFRLYUYBB-UHFFFAOYSA-N 1 0 548.738 3.583 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C ZINC000064622537 562708892 /nfs/dbraw/zinc/70/88/92/562708892.db2.gz OVEYZHGFBIYALJ-GXBVYBDKSA-N 1 0 593.769 3.510 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21)C(C)C ZINC000064622538 562708890 /nfs/dbraw/zinc/70/88/90/562708890.db2.gz OVEYZHGFBIYALJ-HPEBZSCQSA-N 1 0 593.769 3.510 1 0 KHAFRO NC(=O)Nc1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064750383 562709184 /nfs/dbraw/zinc/70/91/84/562709184.db2.gz GQRHTJLEIISGKP-NRFANRHFSA-N 1 0 518.643 3.847 1 0 KHAFRO NC(=O)Nc1cccc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064750385 562709153 /nfs/dbraw/zinc/70/91/53/562709153.db2.gz GQRHTJLEIISGKP-OAQYLSRUSA-N 1 0 518.643 3.847 1 0 KHAFRO COCCNC(=O)c1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3c(SCC[NH+](C)C)n1)CO2 ZINC000066066057 562709256 /nfs/dbraw/zinc/70/92/56/562709256.db2.gz UHWQFBMVMNFZNL-OAQYLSRUSA-N 1 0 532.670 3.769 1 0 KHAFRO COCCNC(=O)c1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(SCC[NH+](C)C)n1)CO2 ZINC000066066058 562709228 /nfs/dbraw/zinc/70/92/28/562709228.db2.gz UHWQFBMVMNFZNL-NRFANRHFSA-N 1 0 532.670 3.769 1 0 KHAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000066066485 562709416 /nfs/dbraw/zinc/70/94/16/562709416.db2.gz ZOGMNODWMKESAB-LNQJTCQQSA-N 1 0 537.730 3.853 1 0 KHAFRO CNC(=O)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@H](COC)C2)c(Cl)c1 ZINC000066066513 562709429 /nfs/dbraw/zinc/70/94/29/562709429.db2.gz QQLBKYNSZMSSMU-QFIPXVFZSA-N 1 0 506.478 3.550 1 0 KHAFRO CCOC(=O)[C@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000066073600 562709513 /nfs/dbraw/zinc/70/95/13/562709513.db2.gz YXBDCYDMXMSFAK-DSSGHVNRSA-N 1 0 580.673 3.581 1 0 KHAFRO CCOC(=O)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000066074587 562709812 /nfs/dbraw/zinc/70/98/12/562709812.db2.gz YXBDCYDMXMSFAK-KAZGAHJFSA-N 1 0 580.673 3.581 1 0 KHAFRO CCOC(=O)[C@@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000066075065 562709934 /nfs/dbraw/zinc/70/99/34/562709934.db2.gz YXBDCYDMXMSFAK-WMTVXVAQSA-N 1 0 580.673 3.581 1 0 KHAFRO O=C([O-])C[NH2+][C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000066075724 562710020 /nfs/dbraw/zinc/71/00/20/562710020.db2.gz ZJWDRJAMCPEBDA-CBDXKTNESA-N 1 0 518.654 3.656 1 0 KHAFRO O=C([O-])C[NH2+][C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000066075726 562710055 /nfs/dbraw/zinc/71/00/55/562710055.db2.gz ZJWDRJAMCPEBDA-CICGIWRTSA-N 1 0 518.654 3.656 1 0 KHAFRO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCN(CCN2CCOCC2)CC1 ZINC000066076266 562710147 /nfs/dbraw/zinc/71/01/47/562710147.db2.gz JIYYXPSDGFYLNN-PWUYWRBVSA-N 1 0 563.545 3.999 1 0 KHAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C ZINC000066077081 562710230 /nfs/dbraw/zinc/71/02/30/562710230.db2.gz VVPYTOVXFOGRIN-UHFFFAOYSA-N 1 0 542.688 3.803 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000066078354 562710412 /nfs/dbraw/zinc/71/04/12/562710412.db2.gz SQMUBEAVNOEHSO-WTEVXDJOSA-N 1 0 512.617 3.728 1 0 KHAFRO O=C(C[NH2+]CCCO)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000066078558 562710453 /nfs/dbraw/zinc/71/04/53/562710453.db2.gz WOVVMGFFCUPHES-UHFFFAOYSA-N 1 0 535.548 3.830 1 0 KHAFRO C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 ZINC000066080307 562710725 /nfs/dbraw/zinc/71/07/25/562710725.db2.gz MILMZYRMOZEUPR-HJPURHCSSA-N 1 0 562.495 3.606 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000066080384 562710784 /nfs/dbraw/zinc/71/07/84/562710784.db2.gz WXRJQYAAIDCOMB-MOXWOTFGSA-N 1 0 538.533 3.634 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C(=O)NCCN4CCOCC4)cc3OC)ncc2Cl)c1 ZINC000066099608 562711114 /nfs/dbraw/zinc/71/11/14/562711114.db2.gz KHSOVSPRZJXEJX-UHFFFAOYSA-N 1 0 553.019 3.861 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@H]3c4ccc(C(F)(F)F)cc4C[C@@H]3O)[C@@H](C)C2)CC1 ZINC000066101363 562711341 /nfs/dbraw/zinc/71/13/41/562711341.db2.gz YUVBUIGMINTUIE-XPEQFSOGSA-N 1 0 531.623 3.771 1 0 KHAFRO O=C(NCCCc1ccccc1)Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 ZINC000066111690 562711866 /nfs/dbraw/zinc/71/18/66/562711866.db2.gz PVLWTNWXLAPXJE-SANMLTNESA-N 1 0 500.599 3.854 1 0 KHAFRO O=C(NCCCc1ccccc1)Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 ZINC000066111691 562711860 /nfs/dbraw/zinc/71/18/60/562711860.db2.gz PVLWTNWXLAPXJE-AREMUKBSSA-N 1 0 500.599 3.854 1 0 KHAFRO O=C(NCCCC[NH+]1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1 ZINC000066112370 562712041 /nfs/dbraw/zinc/71/20/41/562712041.db2.gz SNGXJMCNRWUDKR-UHFFFAOYSA-N 1 0 505.606 3.732 1 0 KHAFRO CCOC(=O)[C@H](Oc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000066112921 562712142 /nfs/dbraw/zinc/71/21/42/562712142.db2.gz ZSRFLOUIEKJRKW-DSSGHVNRSA-N 1 0 581.657 3.548 1 0 KHAFRO CCOC(=O)[C@@H](Oc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000066112924 562712125 /nfs/dbraw/zinc/71/21/25/562712125.db2.gz ZSRFLOUIEKJRKW-WMTVXVAQSA-N 1 0 581.657 3.548 1 0 KHAFRO CCOC(=O)[C@H](Oc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000066112927 562712137 /nfs/dbraw/zinc/71/21/37/562712137.db2.gz ZSRFLOUIEKJRKW-JRLVAEJTSA-N 1 0 581.657 3.548 1 0 KHAFRO CCOC(=O)[C@@H](Oc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1)C(C)C ZINC000066112929 562712146 /nfs/dbraw/zinc/71/21/46/562712146.db2.gz ZSRFLOUIEKJRKW-KAZGAHJFSA-N 1 0 581.657 3.548 1 0 KHAFRO O=C(NCCCC[NH+]1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCOCCF)cc1 ZINC000066114279 562712345 /nfs/dbraw/zinc/71/23/45/562712345.db2.gz LJKVVPJFMUCTIV-UHFFFAOYSA-N 1 0 549.659 3.749 1 0 KHAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H]3c4ccc(C(F)(F)F)cc4C[C@H]3O)[C@@H](C)C2)CC1 ZINC000066124598 562712755 /nfs/dbraw/zinc/71/27/55/562712755.db2.gz YUVBUIGMINTUIE-FIMBPPNMSA-N 1 0 531.623 3.771 1 0 KHAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc4ccccc43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000066166294 562714082 /nfs/dbraw/zinc/71/40/82/562714082.db2.gz ABPGHPHYGKUEIO-SUYBVONHSA-N 1 0 581.783 3.627 1 0 in-vitro KHAFRO COc1ccc(C[N@H+](CCNC(=O)c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)C(C)C)cc1 ZINC000066167314 562714355 /nfs/dbraw/zinc/71/43/55/562714355.db2.gz NEOQFYDOUBKKJL-UHFFFAOYSA-N 1 0 509.672 3.955 1 0 KHAFRO CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCCCC[NH3+])CN3c2ccccc2)cc1 ZINC000066251878 562714574 /nfs/dbraw/zinc/71/45/74/562714574.db2.gz JPFHGSLGSVPEBF-UHFFFAOYSA-N 1 0 533.717 3.510 1 0 KHAFRO C[N@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000066252290 562714721 /nfs/dbraw/zinc/71/47/21/562714721.db2.gz CLLXAHMNMAXOSD-XMMPIXPASA-N 1 0 520.422 3.803 1 0 KHAFRO C[N@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000066252291 562714711 /nfs/dbraw/zinc/71/47/11/562714711.db2.gz CLLXAHMNMAXOSD-DEOSSOPVSA-N 1 0 520.422 3.803 1 0 KHAFRO C[N@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000066252400 562714782 /nfs/dbraw/zinc/71/47/82/562714782.db2.gz DVKBAUJJWCNXJA-XMMPIXPASA-N 1 0 520.422 3.803 1 0 KHAFRO C[N@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000066252401 562714759 /nfs/dbraw/zinc/71/47/59/562714759.db2.gz DVKBAUJJWCNXJA-DEOSSOPVSA-N 1 0 520.422 3.803 1 0 KHAFRO CC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3oc4ccccc4c32)CC1 ZINC000066252411 562714780 /nfs/dbraw/zinc/71/47/80/562714780.db2.gz WVICUKOPLFQYCY-UHFFFAOYSA-N 1 0 566.662 3.674 1 0 KHAFRO COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000066258458 562715024 /nfs/dbraw/zinc/71/50/24/562715024.db2.gz AWVFHDAVDXQSNU-UHFFFAOYSA-N 1 0 596.132 3.960 1 0 KHAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(N4CCOCC4)cc3)n1)CC[N@H+](CC(=O)N(C)C)CC2 ZINC000066258459 562714987 /nfs/dbraw/zinc/71/49/87/562714987.db2.gz LUDLTMLKZHXLBG-UHFFFAOYSA-N 1 0 566.106 3.951 1 0 KHAFRO [NH3+]CCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066258749 562715071 /nfs/dbraw/zinc/71/50/71/562715071.db2.gz SODRESNTISAVEX-UHFFFAOYSA-N 1 0 545.728 3.871 1 0 KHAFRO COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cn3)c3nccnc23)c1F ZINC000068152935 562715861 /nfs/dbraw/zinc/71/58/61/562715861.db2.gz YSHNXBWCXRAMLL-UHFFFAOYSA-N 1 0 534.567 3.987 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)c1 ZINC000068245436 562716073 /nfs/dbraw/zinc/71/60/73/562716073.db2.gz JTNMLAUVGQINOI-SIKLNZKXSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)c1 ZINC000068245437 562716083 /nfs/dbraw/zinc/71/60/83/562716083.db2.gz JTNMLAUVGQINOI-DENIHFKCSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)c1 ZINC000068245438 562716081 /nfs/dbraw/zinc/71/60/81/562716081.db2.gz JTNMLAUVGQINOI-UGKGYDQZSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)c1 ZINC000068245439 562716103 /nfs/dbraw/zinc/71/61/03/562716103.db2.gz JTNMLAUVGQINOI-KNQAVFIVSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)cn1 ZINC000068245440 562716115 /nfs/dbraw/zinc/71/61/15/562716115.db2.gz IKIWDLYEKXJCER-NZQKXSOJSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)cn1 ZINC000068245441 562716093 /nfs/dbraw/zinc/71/60/93/562716093.db2.gz IKIWDLYEKXJCER-NFBKMPQASA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)cn1 ZINC000068245442 562716070 /nfs/dbraw/zinc/71/60/70/562716070.db2.gz IKIWDLYEKXJCER-REWPJTCUSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)cn1 ZINC000068245443 562716075 /nfs/dbraw/zinc/71/60/75/562716075.db2.gz IKIWDLYEKXJCER-OFNKIYASSA-N 1 0 509.459 3.684 1 0 KHAFRO COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)c[nH]c-2n1 ZINC000068245476 562716094 /nfs/dbraw/zinc/71/60/94/562716094.db2.gz PDFXGSFJBYPVSI-UHFFFAOYSA-N 1 0 540.624 3.910 1 0 KHAFRO Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000068247095 562716177 /nfs/dbraw/zinc/71/61/77/562716177.db2.gz DWKNOLCXIFYNFV-HSZRJFAPSA-N 1 0 512.054 3.648 1 0 KHAFRO Cc1c(N2CC[NH2+]CC2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000068248882 562716249 /nfs/dbraw/zinc/71/62/49/562716249.db2.gz BDCDFQJXGRGYRO-UHFFFAOYSA-N 1 0 536.627 3.663 1 0 KHAFRO COC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000068267544 562716294 /nfs/dbraw/zinc/71/62/94/562716294.db2.gz OJCPUZZPOIXSSB-YIOTYYGMSA-N 1 0 576.653 3.768 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@]2(C)CC[C@H](NC(=O)c3cccc4ccccc43)[C@@]12C)C(C)(C)C ZINC000070455359 291811835 /nfs/dbraw/zinc/81/18/35/291811835.db2.gz VBQJWOFQCTULPN-CFZPAZQDSA-N 1 0 506.691 3.868 1 0 biogenic,in-vitro KHAFRO O[C@H]1[C@H](n2cnc3c2nc(Cl)nc3NCCc2ccc(-c3ccccc3)cc2)O[C@H](CS[C@H]2CC[NH2+]C2)[C@H]1O ZINC000070631557 562716412 /nfs/dbraw/zinc/71/64/12/562716412.db2.gz AEYTZFNTFJDEFK-UXSDZZPMSA-N 1 0 567.115 3.516 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 ZINC000070631604 562716464 /nfs/dbraw/zinc/71/64/64/562716464.db2.gz RZICAEFRILRWER-NAYUSWPISA-N 1 0 587.680 3.702 1 0 KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COC2=C[C@@H]3C(=CC=C[N@H+]3CCCO)C=C2)cc1 ZINC000071280735 562716533 /nfs/dbraw/zinc/71/65/33/562716533.db2.gz BSWXEYZBVSQHOV-BHDXBOSCSA-N 1 0 587.717 3.963 1 0 KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COC2=C[C@H]3C(=CC=C[N@H+]3CCCO)C=C2)cc1 ZINC000071280741 562716549 /nfs/dbraw/zinc/71/65/49/562716549.db2.gz BSWXEYZBVSQHOV-NYDCQLBNSA-N 1 0 587.717 3.963 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[N@H+](C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 ZINC000071281783 562716789 /nfs/dbraw/zinc/71/67/89/562716789.db2.gz BSHRHPDLDQVXJW-FFHOAYQKSA-N 1 0 512.617 3.680 1 0 KHAFRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 ZINC000071282110 562716760 /nfs/dbraw/zinc/71/67/60/562716760.db2.gz BFASFNFZHNRMQV-FFHOAYQKSA-N 1 0 512.617 3.728 1 0 KHAFRO CCO[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 ZINC000071294720 562717003 /nfs/dbraw/zinc/71/70/03/562717003.db2.gz BFASFNFZHNRMQV-APDHKMKFSA-N 1 0 512.617 3.728 1 0 KHAFRO CC[N@H+](CCNC(=O)c1ccc2cc(I)ccc2n1)CCOc1cccnc1F ZINC000071295029 562717073 /nfs/dbraw/zinc/71/70/73/562717073.db2.gz OMIBNVOJDASANA-UHFFFAOYSA-N 1 0 508.335 3.504 1 0 KHAFRO CCOC(=O)[C@@H]1CCCN1c1cn(CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071295165 562717127 /nfs/dbraw/zinc/71/71/27/562717127.db2.gz CRHXXVVDFNVESC-DEOSSOPVSA-N 1 0 572.642 3.680 1 0 KHAFRO CCOC(=O)[C@H]1CCCN1c1cn(CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071295166 562717158 /nfs/dbraw/zinc/71/71/58/562717158.db2.gz CRHXXVVDFNVESC-XMMPIXPASA-N 1 0 572.642 3.680 1 0 KHAFRO COC(=O)[C@H]1CCCN1c1cn(CCCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071296332 562717510 /nfs/dbraw/zinc/71/75/10/562717510.db2.gz RWZWNJPTQRNGGI-XMMPIXPASA-N 1 0 572.642 3.680 1 0 KHAFRO COC(=O)[C@@H]1CCCN1c1cn(CCCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071296333 562717515 /nfs/dbraw/zinc/71/75/15/562717515.db2.gz RWZWNJPTQRNGGI-DEOSSOPVSA-N 1 0 572.642 3.680 1 0 KHAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCCC2(CCN(c3ncnc4[nH]cc(C)c43)CC2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071296568 562717559 /nfs/dbraw/zinc/71/75/59/562717559.db2.gz ODFPLSCCVBAEFC-SANMLTNESA-N 1 0 598.814 3.654 1 0 KHAFRO CNC(=O)c1cc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OCC[NH+](C)C)cc2cn1 ZINC000071296939 562717671 /nfs/dbraw/zinc/71/76/71/562717671.db2.gz OYKXDGLDBXYVRP-UHFFFAOYSA-N 1 0 503.525 3.918 1 0 KHAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000071315892 562717740 /nfs/dbraw/zinc/71/77/40/562717740.db2.gz VJEMANMMQVUJKL-RPLLCQBOSA-N 1 0 552.693 3.804 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccc(F)cc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071316441 562717956 /nfs/dbraw/zinc/71/79/56/562717956.db2.gz SBLAOOULRIXRFC-PCFFTZKOSA-N 1 0 552.606 3.995 1 0 KHAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071316698 562717969 /nfs/dbraw/zinc/71/79/69/562717969.db2.gz JANLTTGWVGUGII-LSYYVWMOSA-N 1 0 534.694 3.690 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc4c(c3)OCO4)N12 ZINC000071316779 562718058 /nfs/dbraw/zinc/71/80/58/562718058.db2.gz PPJODYFRWIXBIM-VFXDQDQSSA-N 1 0 534.616 3.856 1 0 KHAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3ncnc4ccccc43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071317064 562718128 /nfs/dbraw/zinc/71/81/28/562718128.db2.gz ABPGHPHYGKUEIO-HVNZXBJASA-N 1 0 581.783 3.627 1 0 KHAFRO CCN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC000071317115 562718165 /nfs/dbraw/zinc/71/81/65/562718165.db2.gz PHARLRFXLAGEPK-SANMLTNESA-N 1 0 579.207 3.649 1 0 KHAFRO Cn1c2ccccc2c2c1[C@@H](c1ccc3c(c1)OCO3)N1C(=O)CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C(=O)[C@H]1C2 ZINC000071317878 562718336 /nfs/dbraw/zinc/71/83/36/562718336.db2.gz UNKPRBDEYNXTGM-JZTDYHMVSA-N 1 0 548.643 3.866 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4cc(F)ccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071317903 562718377 /nfs/dbraw/zinc/71/83/77/562718377.db2.gz OWLNWTATIRRFRY-PCFFTZKOSA-N 1 0 552.606 3.995 1 0 KHAFRO C[NH+]1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CC1 ZINC000071317947 562718369 /nfs/dbraw/zinc/71/83/69/562718369.db2.gz CZMKFOMPEOIEET-LJAQVGFWSA-N 1 0 569.171 3.896 1 0 KHAFRO C[N@H+](CCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc3c(c2)OCO3)C1=O)Cc1ccccc1 ZINC000071317973 562718357 /nfs/dbraw/zinc/71/83/57/562718357.db2.gz AHKXSEGPAYMORE-FYBSXPHGSA-N 1 0 522.605 3.714 1 0 KHAFRO Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccc(N5CC[NH2+]CC5)nc4)c3)c3ccccc23)no1 ZINC000071330223 562719120 /nfs/dbraw/zinc/71/91/20/562719120.db2.gz BIMYMKHMWHYIDT-UHFFFAOYSA-N 1 0 570.675 3.870 1 0 KHAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1C ZINC000071332544 562719397 /nfs/dbraw/zinc/71/93/97/562719397.db2.gz WQFRKAUIFBSTDZ-VWLOTQADSA-N 1 0 515.720 3.748 1 0 KHAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071333706 562719493 /nfs/dbraw/zinc/71/94/93/562719493.db2.gz KAMGZRDKXXMMEW-FTJBHMTQSA-N 1 0 592.684 3.764 1 0 KHAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071333710 562719502 /nfs/dbraw/zinc/71/95/02/562719502.db2.gz KAMGZRDKXXMMEW-CLJLJLNGSA-N 1 0 592.684 3.764 1 0 in-vivo KHAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[N@@H+]4CCCC(C)(C)C4)ccc32)cc1 ZINC000071334015 562719550 /nfs/dbraw/zinc/71/95/50/562719550.db2.gz PDSRDBIHGJPAEP-VSGBNLITSA-N 1 0 566.768 3.690 1 0 KHAFRO Cc1ccc(S(=O)(=O)N2CC(C)(C)NC(=O)[C@@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071335417 562719695 /nfs/dbraw/zinc/71/96/95/562719695.db2.gz IWSJXYFILWNIQO-IZLXSDGUSA-N 1 0 566.768 3.833 1 0 KHAFRO Cc1ccc(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071335419 562719677 /nfs/dbraw/zinc/71/96/77/562719677.db2.gz IWSJXYFILWNIQO-VSGBNLITSA-N 1 0 566.768 3.833 1 0 KHAFRO Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)NC[C@H]1C[C@H]([NH+]3CCCC3)CN1CCC2 ZINC000071341075 562719900 /nfs/dbraw/zinc/71/99/00/562719900.db2.gz KCPDMECDZBEUSJ-YADHBBJMSA-N 1 0 503.691 3.937 1 0 KHAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071341205 562719890 /nfs/dbraw/zinc/71/98/90/562719890.db2.gz IVTMMMPCGZQPLK-FTJBHMTQSA-N 1 0 592.684 3.764 1 0 KHAFRO C[NH2+]CCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071341473 562719950 /nfs/dbraw/zinc/71/99/50/562719950.db2.gz PQPXBDNOQMKDCE-WZONZLPQSA-N 1 0 564.641 3.627 1 0 KHAFRO CC[C@@H](C)[C@@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@@]1(=O)OCc2cccc(C)c2O1 ZINC000072104611 562720506 /nfs/dbraw/zinc/72/05/06/562720506.db2.gz OIGKRGVZRKAOIK-XIGVJERCSA-N 1 0 628.413 3.517 1 0 KHAFRO CC[C@H](C)[C@@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@@]1(=O)OCc2cccc(C)c2O1 ZINC000072104612 562720502 /nfs/dbraw/zinc/72/05/02/562720502.db2.gz OIGKRGVZRKAOIK-KAUSDDKZSA-N 1 0 628.413 3.517 1 0 KHAFRO CC[C@@H](C)[C@@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@]1(=O)OCc2cccc(C)c2O1 ZINC000072104613 562720510 /nfs/dbraw/zinc/72/05/10/562720510.db2.gz OIGKRGVZRKAOIK-LISWLFJNSA-N 1 0 628.413 3.517 1 0 KHAFRO CC[C@H](C)[C@@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@]1(=O)OCc2cccc(C)c2O1 ZINC000072104614 562720533 /nfs/dbraw/zinc/72/05/33/562720533.db2.gz OIGKRGVZRKAOIK-OKJIBVKLSA-N 1 0 628.413 3.517 1 0 KHAFRO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072104653 562720579 /nfs/dbraw/zinc/72/05/79/562720579.db2.gz WVYVQPDAOPUYBM-VWLOTQADSA-N 1 0 519.690 3.672 1 0 KHAFRO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072104654 562720549 /nfs/dbraw/zinc/72/05/49/562720549.db2.gz WVYVQPDAOPUYBM-RUZDIDTESA-N 1 0 519.690 3.672 1 0 KHAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@@]1(=O)OCc2cccc(C)c2O1 ZINC000072104690 562720558 /nfs/dbraw/zinc/72/05/58/562720558.db2.gz OIGKRGVZRKAOIK-AUPXVSNTSA-N 1 0 628.413 3.517 1 0 KHAFRO CC[C@H](C)[C@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@@]1(=O)OCc2cccc(C)c2O1 ZINC000072104691 562720568 /nfs/dbraw/zinc/72/05/68/562720568.db2.gz OIGKRGVZRKAOIK-JMVMGMTDSA-N 1 0 628.413 3.517 1 0 KHAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@]1(=O)OCc2cccc(C)c2O1 ZINC000072104692 562720586 /nfs/dbraw/zinc/72/05/86/562720586.db2.gz OIGKRGVZRKAOIK-XUEYJXRPSA-N 1 0 628.413 3.517 1 0 KHAFRO CC[C@H](C)[C@H]([NH3+])C(=O)O[C@H]1C[C@H](n2cc(C=CBr)c(=O)[nH]c2=O)O[C@@H]1CO[P@]1(=O)OCc2cccc(C)c2O1 ZINC000072104693 562720551 /nfs/dbraw/zinc/72/05/51/562720551.db2.gz OIGKRGVZRKAOIK-UBHTZRSGSA-N 1 0 628.413 3.517 1 0 KHAFRO CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 ZINC000072105074 562720666 /nfs/dbraw/zinc/72/06/66/562720666.db2.gz UQZFNXGLGJMAAL-FQLXRVMXSA-N 1 0 576.738 3.851 1 0 KHAFRO [NH3+][C@@H](CCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072105260 562720774 /nfs/dbraw/zinc/72/07/74/562720774.db2.gz QTKJHHMPJACXFV-MHZLTWQESA-N 1 0 518.608 3.848 1 0 KHAFRO CCNC(=O)NCc1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000072105305 562720735 /nfs/dbraw/zinc/72/07/35/562720735.db2.gz ULRQPZIGIQQYRL-NDEPHWFRSA-N 1 0 515.695 3.927 1 0 KHAFRO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072106083 562720927 /nfs/dbraw/zinc/72/09/27/562720927.db2.gz PXEUWAFHVKNLLD-UHFFFAOYSA-N 1 0 503.647 3.819 1 0 KHAFRO N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccc(F)cc2C1 ZINC000072106431 562721052 /nfs/dbraw/zinc/72/10/52/562721052.db2.gz WZHIVIJNGGDJEB-SANMLTNESA-N 1 0 522.571 3.597 1 0 KHAFRO COCC[N@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(OC)nn1)c(=O)n2Cc1c(F)cccc1F ZINC000072108650 562721454 /nfs/dbraw/zinc/72/14/54/562721454.db2.gz HWPZRJVNQZIXSF-UHFFFAOYSA-N 1 0 667.695 3.767 1 0 KHAFRO COCC[N@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(CC(C)(C)O)c(=O)n2Cc1c(F)cccc1F ZINC000072108834 562721524 /nfs/dbraw/zinc/72/15/24/562721524.db2.gz HMQGLDJTYFDJPH-UHFFFAOYSA-N 1 0 631.702 3.750 1 0 KHAFRO COCCn1c(=O)c2c(C[N@H+](C)CCOC)c(-c3ccc(NC(=O)NOC)cc3)sc2n(Cc2c(F)cccc2F)c1=O ZINC000072109383 562721620 /nfs/dbraw/zinc/72/16/20/562721620.db2.gz QRTSHMJMRAGQCG-UHFFFAOYSA-N 1 0 617.675 3.626 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000072109940 562721639 /nfs/dbraw/zinc/72/16/39/562721639.db2.gz IEJKFYIVTNQIEA-NOOLENRPSA-N 1 0 504.675 3.556 1 0 KHAFRO CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 ZINC000072110875 562721851 /nfs/dbraw/zinc/72/18/51/562721851.db2.gz XLLQKBJHCJNUTO-FQLXRVMXSA-N 1 0 612.793 3.529 1 0 KHAFRO CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(N)=O)cc3)cc1)CC2 ZINC000072112657 562722143 /nfs/dbraw/zinc/72/21/43/562722143.db2.gz GCJIJSHPSQDNSG-FQLXRVMXSA-N 1 0 576.738 3.981 1 0 KHAFRO CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O ZINC000072112669 562722147 /nfs/dbraw/zinc/72/21/47/562722147.db2.gz JUDVTECBHZMKFE-MHZLTWQESA-N 1 0 541.689 3.942 1 0 KHAFRO CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000072114956 562722829 /nfs/dbraw/zinc/72/28/29/562722829.db2.gz SYZDVCIVJGXCFP-AHWVRZQESA-N 1 0 534.657 3.695 1 0 KHAFRO COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)CCO1 ZINC000072115027 562722877 /nfs/dbraw/zinc/72/28/77/562722877.db2.gz OUWZGTHAWCDADK-RWNGQHIQSA-N 1 0 531.093 3.645 1 0 KHAFRO CCc1cccc(-c2c(Cl)cccc2[C@](O)(CCCCOC)[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])[C@@H](O)C3)CCO2)c1 ZINC000072115028 562722900 /nfs/dbraw/zinc/72/29/00/562722900.db2.gz VPBFTBGCWRVDOS-QHXQRBBOSA-N 1 0 545.120 3.899 1 0 KHAFRO CC(=O)NCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072116572 562723159 /nfs/dbraw/zinc/72/31/59/562723159.db2.gz JNRVEYYSIZJHIN-OBVJZYNASA-N 1 0 542.120 3.756 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116694 562723221 /nfs/dbraw/zinc/72/32/21/562723221.db2.gz YSEXJDRMXKCHQN-OCBJUFRSSA-N 1 0 625.173 3.965 1 0 KHAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)[C@@H]1COc2ccccc2O1 ZINC000072116756 562723181 /nfs/dbraw/zinc/72/31/81/562723181.db2.gz FXIRPBZAEDIOMO-URXFXBBRSA-N 1 0 518.639 3.975 1 0 KHAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)[C@@H]1COc2ccccc2O1 ZINC000072116757 562723190 /nfs/dbraw/zinc/72/31/90/562723190.db2.gz FXIRPBZAEDIOMO-QPPBQGQZSA-N 1 0 518.639 3.975 1 0 KHAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)[C@H]1COc2ccccc2O1 ZINC000072116758 562723182 /nfs/dbraw/zinc/72/31/82/562723182.db2.gz FXIRPBZAEDIOMO-XUZZJYLKSA-N 1 0 518.639 3.975 1 0 KHAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)[C@H]1COc2ccccc2O1 ZINC000072116759 562723216 /nfs/dbraw/zinc/72/32/16/562723216.db2.gz FXIRPBZAEDIOMO-ZJSXRUAMSA-N 1 0 518.639 3.975 1 0 KHAFRO COc1ccc(CN2CC[NH+](CCCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3sccc3C)CC2)c(OC)c1OC ZINC000072117021 562723346 /nfs/dbraw/zinc/72/33/46/562723346.db2.gz BXRRBFIFVZRKCB-UHFFFAOYSA-N 1 0 624.764 3.545 1 0 KHAFRO COC(=O)NCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072117167 562723408 /nfs/dbraw/zinc/72/34/08/562723408.db2.gz XMFPYLMRYFHYBN-YWHUKLHMSA-N 1 0 558.119 3.976 1 0 KHAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118250 562723444 /nfs/dbraw/zinc/72/34/44/562723444.db2.gz GWMWCKITZLVYEN-OLUZHXLYSA-N 1 0 629.765 3.793 1 0 KHAFRO COC(=O)NCCO[C@@H](c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072118430 562723522 /nfs/dbraw/zinc/72/35/22/562723522.db2.gz XYTLPMNVNDXVQL-XDDUCGQKSA-N 1 0 527.637 3.552 1 0 KHAFRO CCc1ccc(C(=O)Nc2cc(C(=O)NC(=N)N)ccc2OCCC[NH+]2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000072118683 562723596 /nfs/dbraw/zinc/72/35/96/562723596.db2.gz PEDLWHVYCCZYHA-UHFFFAOYSA-N 1 0 632.762 3.737 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCOc2nn(C)c(=O)c3c(C)n(-c4ccccc4)c(C)c32)CC1 ZINC000072118808 562723675 /nfs/dbraw/zinc/72/36/75/562723675.db2.gz GRSZCRMDXUHRRS-UHFFFAOYSA-N 1 0 501.631 3.941 1 0 KHAFRO CCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1 ZINC000072123716 562724889 /nfs/dbraw/zinc/72/48/89/562724889.db2.gz QVBNXGNXRIPRPX-QOEXFKEZSA-N 1 0 740.946 3.832 1 0 KHAFRO CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](OC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H]([NH3+])C(C)C)C(C)C)[C@@H](CO)O4)c(=O)nc3o2)cc1 ZINC000072123771 562724961 /nfs/dbraw/zinc/72/49/61/562724961.db2.gz NMGCZXLCSRIHRG-IAKPJTSLSA-N 1 0 693.842 3.696 1 0 KHAFRO COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CC[NH+](CC2=Cc3ccccc3OC2(C)C)CC1 ZINC000072124996 562725163 /nfs/dbraw/zinc/72/51/63/562725163.db2.gz NTZMZQMSENGDJF-UHFFFAOYSA-N 1 0 508.615 3.943 1 0 KHAFRO CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H]([NH3+])C(C)C)C(C)C)O4)c(=O)nc3o2)cc1 ZINC000072126781 562725408 /nfs/dbraw/zinc/72/54/08/562725408.db2.gz ZJJRAJKUEUBXRA-LLTVDHBUSA-N 1 0 693.842 3.696 1 0 KHAFRO NC(=O)c1c[nH+]c(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(-c4cnc(N5CCOCC5)nc4)cc3[nH]c21 ZINC000072126848 562725509 /nfs/dbraw/zinc/72/55/09/562725509.db2.gz DALGRIWHYIBOST-OAQYLSRUSA-N 1 0 511.508 3.861 1 0 KHAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc(C)c1O ZINC000072127059 562725683 /nfs/dbraw/zinc/72/56/83/562725683.db2.gz OLLQFPUUZAQSOA-LNQQZYPMSA-N 1 0 680.850 3.536 1 0 KHAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc(C)c1O ZINC000072127060 562725662 /nfs/dbraw/zinc/72/56/62/562725662.db2.gz OLLQFPUUZAQSOA-NBTLXHBBSA-N 1 0 680.850 3.536 1 0 KHAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc(C)c1O ZINC000072127069 562725673 /nfs/dbraw/zinc/72/56/73/562725673.db2.gz OLLQFPUUZAQSOA-PVFXEFQLSA-N 1 0 680.850 3.536 1 0 KHAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc(C)c1O ZINC000072127070 562725676 /nfs/dbraw/zinc/72/56/76/562725676.db2.gz OLLQFPUUZAQSOA-HVQPUJSTSA-N 1 0 680.850 3.536 1 0 KHAFRO COc1ccc(CNc2nc(NC[C@@H](C)O)nc3c(NCc4ccc(OC)c(OC)c4)nc(NC[C@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc23)cc1OC ZINC000072128803 562726342 /nfs/dbraw/zinc/72/63/42/562726342.db2.gz JSNIYAOINBLFIO-GGJMMHKRSA-N 1 0 707.833 3.798 1 0 KHAFRO COc1ccc(CNc2nc(NC[C@@H](C)O)nc3c(NCc4ccc(OC)c(OC)c4)nc(NC[C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc23)cc1OC ZINC000072128805 562726346 /nfs/dbraw/zinc/72/63/46/562726346.db2.gz JSNIYAOINBLFIO-CJYOKPGZSA-N 1 0 707.833 3.798 1 0 KHAFRO COc1ccc(CNc2nc(NC[C@H](C)O)nc3c(NCc4ccc(OC)c(OC)c4)nc(NC[C@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc23)cc1OC ZINC000072128807 562726320 /nfs/dbraw/zinc/72/63/20/562726320.db2.gz JSNIYAOINBLFIO-CZBREUMFSA-N 1 0 707.833 3.798 1 0 KHAFRO COc1ccc(CNc2nc(NC[C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc3c(NCc4ccc(OC)c(OC)c4)nc(NC[C@H](C)O)nc23)cc1OC ZINC000072128808 562726339 /nfs/dbraw/zinc/72/63/39/562726339.db2.gz JSNIYAOINBLFIO-GTNJKRJXSA-N 1 0 707.833 3.798 1 0 KHAFRO CC[NH2+][C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)(C)C)C(C)(C)C)c1ccccc1 ZINC000072132793 562726848 /nfs/dbraw/zinc/72/68/48/562726848.db2.gz RVAOZWYEMRQSCS-WQOITCGXSA-N 1 0 681.944 3.799 1 0 KHAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cc(CN4CC[NH+](C)CC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)C2=O)cc1 ZINC000072134043 562727170 /nfs/dbraw/zinc/72/71/70/562727170.db2.gz KEWYHZTWCRARDP-MFACQUFMSA-N 1 0 696.270 3.636 1 0 KHAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3ccc(CN4CC[NH+](C)CC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)C2=O)cc1 ZINC000072134090 562727189 /nfs/dbraw/zinc/72/71/89/562727189.db2.gz UGAUVYQFLMYIQP-ZJJOJAIXSA-N 1 0 696.270 3.636 1 0 KHAFRO O=C(NCC[NH+]1CCC2(CC1)C(=O)NCN2c1cccc(Br)c1)c1ccc2ccccc2c1 ZINC000072136909 562728238 /nfs/dbraw/zinc/72/82/38/562728238.db2.gz ZEMPEXPNKNNOKV-UHFFFAOYSA-N 1 0 507.432 3.761 1 0 KHAFRO Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)[C@H](C)CN(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000072139708 562728991 /nfs/dbraw/zinc/72/89/91/562728991.db2.gz KRHCYUXPGWYNDE-LZNRXBQRSA-N 1 0 519.690 3.613 1 0 KHAFRO COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c3ccccc3cc(c2OC)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1 ZINC000072139915 562729102 /nfs/dbraw/zinc/72/91/02/562729102.db2.gz MFGBPQIHGMEVEH-VIYHKXCQSA-N 1 0 722.843 3.633 1 0 KHAFRO COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c3ccccc3cc(c2OC)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1 ZINC000072139916 562729084 /nfs/dbraw/zinc/72/90/84/562729084.db2.gz MFGBPQIHGMEVEH-KTLWSMHNSA-N 1 0 722.843 3.633 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000072147786 562729865 /nfs/dbraw/zinc/72/98/65/562729865.db2.gz OVHJCIQWPFHAJJ-IMKBVMFZSA-N 1 0 700.844 3.552 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000072147836 562729880 /nfs/dbraw/zinc/72/98/80/562729880.db2.gz WNULBXIDXJPRTP-CHQNGUEUSA-N 1 0 682.826 3.718 1 0 KHAFRO CC(C)COC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000072147838 562729856 /nfs/dbraw/zinc/72/98/56/562729856.db2.gz PUTUOIPIXXYYLV-CPCREDONSA-N 1 0 682.826 3.575 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000072148906 562729914 /nfs/dbraw/zinc/72/99/14/562729914.db2.gz BELYBKUWIXGUGJ-KVBYWJEESA-N 1 0 730.870 3.797 1 0 KHAFRO CN(c1ccc(OC(F)(F)F)cc1)c1cc(-c2cccc(C(=O)NCCOCCOCCOCCOCCOCC[NH3+])c2)ncn1 ZINC000072170120 562730262 /nfs/dbraw/zinc/73/02/62/562730262.db2.gz AHHOZJHJGPRLSL-UHFFFAOYSA-N 1 0 651.683 3.582 1 0 KHAFRO Cc1cc(-c2n[nH]c(-c3cccs3)c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000072173088 562730785 /nfs/dbraw/zinc/73/07/85/562730785.db2.gz ZOWYTOZHDHUEQQ-HXUWFJFHSA-N 1 0 526.688 3.685 1 0 KHAFRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072173266 562730877 /nfs/dbraw/zinc/73/08/77/562730877.db2.gz VRPINELRRZUBLQ-FQEVSTJZSA-N 1 0 510.015 3.815 1 0 KHAFRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072173267 562730911 /nfs/dbraw/zinc/73/09/11/562730911.db2.gz VRPINELRRZUBLQ-HXUWFJFHSA-N 1 0 510.015 3.815 1 0 KHAFRO COCCNc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1 ZINC000072173578 562731051 /nfs/dbraw/zinc/73/10/51/562731051.db2.gz RJAJLJQGZUGFPU-RTWAWAEBSA-N 1 0 507.462 3.635 1 0 KHAFRO COCCCc1cc(Br)cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1 ZINC000072173598 562731059 /nfs/dbraw/zinc/73/10/59/562731059.db2.gz CFPVAVIVMPQWCL-RPWUZVMVSA-N 1 0 516.480 3.611 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)cc(Br)c1C ZINC000072173633 562731063 /nfs/dbraw/zinc/73/10/63/562731063.db2.gz HELJPBHTIIYJPZ-RPWUZVMVSA-N 1 0 530.507 3.920 1 0 KHAFRO CCS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC[N@@H+](CCOC)CC3)ncc1Cl ZINC000072174862 562731212 /nfs/dbraw/zinc/73/12/12/562731212.db2.gz RKSKGSQDRZHVPG-DHIUTWEWSA-N 1 0 537.130 3.583 1 0 KHAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c1cccc2Cl ZINC000072174914 562731206 /nfs/dbraw/zinc/73/12/06/562731206.db2.gz AUOWJTDDNOBEPP-PKTZIBPZSA-N 1 0 511.066 3.914 1 0 KHAFRO Cn1ccc([C@H]2CC[NH2+]C[C@@H]2C(=O)N(Cc2cn(Cc3ccncc3)c3cccc(F)c23)C2CC2)cc1=O ZINC000072174918 562731194 /nfs/dbraw/zinc/73/11/94/562731194.db2.gz HDHCROHOBIWWHX-RPBOFIJWSA-N 1 0 513.617 3.807 1 0 KHAFRO COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C4CC4)n3)cc2CC1 ZINC000072174973 562731222 /nfs/dbraw/zinc/73/12/22/562731222.db2.gz VCDZNTKQCSUNQC-DNQXCXABSA-N 1 0 549.141 3.726 1 0 KHAFRO COCC[N@@H+]1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1 ZINC000072174999 562731237 /nfs/dbraw/zinc/73/12/37/562731237.db2.gz CDTMQKLFPXZZMW-FYYLOGMGSA-N 1 0 567.156 3.544 1 0 KHAFRO COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C(C)C)n3)cc2CC1 ZINC000072175016 562731231 /nfs/dbraw/zinc/73/12/31/562731231.db2.gz WGJBSJUYFRIRHW-DNQXCXABSA-N 1 0 551.157 3.972 1 0 KHAFRO Cn1ccc([C@H]2CC[NH2+]C[C@@H]2C(=O)N(Cc2cn(Cc3cccnc3)c3cccc(F)c23)C2CC2)cc1=O ZINC000072175298 562731316 /nfs/dbraw/zinc/73/13/16/562731316.db2.gz LSHIKKCNCJHIFH-RPBOFIJWSA-N 1 0 513.617 3.807 1 0 KHAFRO CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3c(cc2OC)CC[N@H+](CCOC)CC3)ncc1Cl)S(C)(=O)=O ZINC000072175584 562731371 /nfs/dbraw/zinc/73/13/71/562731371.db2.gz LIWMTOPLJLFZKX-ISKFKSNPSA-N 1 0 581.183 3.934 1 0 KHAFRO Cc1c2c(n3c1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O ZINC000072175855 562731421 /nfs/dbraw/zinc/73/14/21/562731421.db2.gz WPQWDLRSWWBTSS-QZXAKIBKSA-N 1 0 521.706 3.844 1 0 KHAFRO Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)[C@H](C)CN(C(=O)C(C)(C)[NH3+])CC2 ZINC000072175856 562731432 /nfs/dbraw/zinc/73/14/32/562731432.db2.gz RXKNSFZSSAIGRV-AEFFLSMTSA-N 1 0 507.679 3.598 1 0 KHAFRO CC[C@H]([NH3+])C(=O)N1CCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@H](C)C1)CC(C)(C)CC3=O ZINC000072175953 562731467 /nfs/dbraw/zinc/73/14/67/562731467.db2.gz POLHEQGIVQDPGA-MMOPVJDHSA-N 1 0 507.679 3.598 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)CNC(C)=O)C(C)C)C(C)C)ccc1OC ZINC000072177100 562731725 /nfs/dbraw/zinc/73/17/25/562731725.db2.gz VSBSCKNOROKSAX-LJWNLINESA-N 1 0 579.823 3.944 1 0 KHAFRO C[NH+]1CCN(c2cccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)[nH]n3)c2)CC1 ZINC000072177444 562731794 /nfs/dbraw/zinc/73/17/94/562731794.db2.gz YEWDZQBQOJUCOS-UHFFFAOYSA-N 1 0 516.627 3.882 1 0 KHAFRO Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)[C@H](C)CN(C(=O)[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000072177556 562731838 /nfs/dbraw/zinc/73/18/38/562731838.db2.gz KVSGQPCLHVYQMQ-LDQAXMLRSA-N 1 0 537.680 3.561 1 0 KHAFRO Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)[C@H](C)CN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000072177642 562731851 /nfs/dbraw/zinc/73/18/51/562731851.db2.gz KRHCYUXPGWYNDE-ZWCUEREDSA-N 1 0 519.690 3.613 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000072177698 562731815 /nfs/dbraw/zinc/73/18/15/562731815.db2.gz BUUSMCXWJODWGQ-LJAQVGFWSA-N 1 0 534.588 3.872 1 0 KHAFRO COc1ccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)c2)cc1 ZINC000072178236 562731998 /nfs/dbraw/zinc/73/19/98/562731998.db2.gz FGVXLCXWOUOYDG-UHFFFAOYSA-N 1 0 546.653 3.890 1 0 KHAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)[nH]n3)cc2)CC1 ZINC000072178245 562731995 /nfs/dbraw/zinc/73/19/95/562731995.db2.gz TWLIQGHEQROHMD-UHFFFAOYSA-N 1 0 516.627 3.882 1 0 KHAFRO CCS(=O)(=O)NCC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000072178261 562732011 /nfs/dbraw/zinc/73/20/11/562732011.db2.gz RLOYRCWTXSFIAJ-LJWNLINESA-N 1 0 629.905 3.748 1 0 KHAFRO COc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000072179056 562732270 /nfs/dbraw/zinc/73/22/70/562732270.db2.gz HCQWDCIGBDDWLZ-UHFFFAOYSA-N 1 0 591.738 3.845 1 0 KHAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000072179147 562732252 /nfs/dbraw/zinc/73/22/52/562732252.db2.gz PDMIUQADMLTFBI-NAYUSWPISA-N 1 0 577.685 3.981 1 0 KHAFRO CN1CC[NH+](C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 ZINC000072179682 562732358 /nfs/dbraw/zinc/73/23/58/562732358.db2.gz SUYSCXGFAKXADD-UHFFFAOYSA-N 1 0 503.651 3.734 1 0 KHAFRO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072179905 562732430 /nfs/dbraw/zinc/73/24/30/562732430.db2.gz WMEJFSSWLCGRLA-VWLOTQADSA-N 1 0 507.654 3.802 1 0 KHAFRO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072179906 562732424 /nfs/dbraw/zinc/73/24/24/562732424.db2.gz WMEJFSSWLCGRLA-RUZDIDTESA-N 1 0 507.654 3.802 1 0 KHAFRO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c1=O ZINC000072318152 562733195 /nfs/dbraw/zinc/73/31/95/562733195.db2.gz MQQGYKZCGFDOOC-UHFFFAOYSA-N 1 0 611.722 3.915 1 0 KHAFRO Cc1noc(Cn2cc(CN(C(=O)[C@H]3C[NH2+]CC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c2cccc3F)n1 ZINC000073138222 562733356 /nfs/dbraw/zinc/73/33/56/562733356.db2.gz UJRWZLOYJFZKKG-NGOKVRLYSA-N 1 0 539.558 3.787 1 0 KHAFRO COc1ccc(CN(CC[N@H+](C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1 ZINC000073138848 562733406 /nfs/dbraw/zinc/73/34/06/562733406.db2.gz XUSZWVLIKIUVKA-UHFFFAOYSA-N 1 0 526.685 3.968 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2cc(F)cc(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073138911 562733441 /nfs/dbraw/zinc/73/34/41/562733441.db2.gz OPUYLKSOQDPFIT-PXJZQJOASA-N 1 0 532.628 3.557 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073138914 562733449 /nfs/dbraw/zinc/73/34/49/562733449.db2.gz STXFMRGIISYYJC-SVEHJYQDSA-N 1 0 532.628 3.557 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073138916 562733462 /nfs/dbraw/zinc/73/34/62/562733462.db2.gz STXFMRGIISYYJC-IRPSRAIASA-N 1 0 532.628 3.557 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@@H]2C[NH2+]CC[C@@]2(O)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073138919 562733457 /nfs/dbraw/zinc/73/34/57/562733457.db2.gz STXFMRGIISYYJC-ABYGYWHVSA-N 1 0 532.628 3.557 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]2(O)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073138922 562733451 /nfs/dbraw/zinc/73/34/51/562733451.db2.gz STXFMRGIISYYJC-VAVYLYDRSA-N 1 0 532.628 3.557 1 0 KHAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1c(CS(C)(=O)=O)ccc2F ZINC000073140306 562733611 /nfs/dbraw/zinc/73/36/11/562733611.db2.gz ZHYYYLQRSXPOFI-DJUQAAIZSA-N 1 0 607.695 3.628 1 0 KHAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1c(CN1CCOCC1)ccc2F ZINC000073140309 562733622 /nfs/dbraw/zinc/73/36/22/562733622.db2.gz RPKQQZBIQPFJRD-NYFMKLKXSA-N 1 0 614.709 3.916 1 0 KHAFRO COC(=O)CN1C(=O)N(CCCCCCCCN2CC[NH2+]CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000073164244 562734255 /nfs/dbraw/zinc/73/42/55/562734255.db2.gz VKYCMHUNEHRROD-UHFFFAOYSA-N 1 0 520.674 3.613 1 0 KHAFRO CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC([C@H]([NH2+]C3CCC(c4c[nH]c5ccccc54)CC3)C(N)=O)CC2)cc1 ZINC000073165120 562734382 /nfs/dbraw/zinc/73/43/82/562734382.db2.gz UJRYXHXQRMDXJR-OJLNSQMDSA-N 1 0 562.736 3.993 1 0 KHAFRO CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC([C@@H]([NH2+]C3CCC(c4c[nH]c5ccccc54)CC3)C(N)=O)CC2)cc1 ZINC000073165123 562734396 /nfs/dbraw/zinc/73/43/96/562734396.db2.gz UJRYXHXQRMDXJR-SYVSSJOFSA-N 1 0 562.736 3.993 1 0 KHAFRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(-n3nnnc3C(F)(F)F)ccc2OCC)[C@H](c2ccccc2)C1 ZINC000073166206 562734462 /nfs/dbraw/zinc/73/44/62/562734462.db2.gz IWZISMFLCRETGY-SFTDATJTSA-N 1 0 517.556 3.757 1 0 KHAFRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(-n3nnnc3C(F)(F)F)ccc2OC2CC2)[C@H](c2ccccc2)C1 ZINC000073166210 562734487 /nfs/dbraw/zinc/73/44/87/562734487.db2.gz NTGJAYAGZOYPEO-VXKWHMMOSA-N 1 0 529.567 3.900 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2cccc(Cl)c2)C2CC2)cc(OCCOC)c1 ZINC000073167235 562734558 /nfs/dbraw/zinc/73/45/58/562734558.db2.gz FRQZZZMNFZPPFC-PXJZQJOASA-N 1 0 531.093 3.933 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(C)c(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073167241 562734560 /nfs/dbraw/zinc/73/45/60/562734560.db2.gz QYXGOMLDWHJGQK-OFSOJUDTSA-N 1 0 528.665 3.727 1 0 KHAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)NC(C)C)C[C@H]1c1ccccc1 ZINC000073167432 562734608 /nfs/dbraw/zinc/73/46/08/562734608.db2.gz DTKNMUUJHUPQKN-SFTDATJTSA-N 1 0 517.556 3.755 1 0 KHAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC000073167435 562734590 /nfs/dbraw/zinc/73/45/90/562734590.db2.gz DNWDXVUEVAPELT-SFTDATJTSA-N 1 0 515.540 3.509 1 0 KHAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000073167645 562734651 /nfs/dbraw/zinc/73/46/51/562734651.db2.gz UEFMCYITDQUEOQ-OALUTQOASA-N 1 0 557.499 3.909 1 0 KHAFRO CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000073167891 562734649 /nfs/dbraw/zinc/73/46/49/562734649.db2.gz RYXMQHSUQKMLQC-ZYROZYFVSA-N 1 0 531.644 3.579 1 0 KHAFRO COc1ccc(C2CCC([NH2+][C@H](C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 ZINC000073167925 562734648 /nfs/dbraw/zinc/73/46/48/562734648.db2.gz DJVMQYNGQRZYRW-CBYKIOIFSA-N 1 0 530.591 3.929 1 0 KHAFRO COc1ccc(C2CCC([NH2+][C@@H](C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 ZINC000073167931 562734617 /nfs/dbraw/zinc/73/46/17/562734617.db2.gz DJVMQYNGQRZYRW-HSLVXZFHSA-N 1 0 530.591 3.929 1 0 KHAFRO NC(=O)[C@@H]([NH2+]C1CCP(=O)(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073167951 562734653 /nfs/dbraw/zinc/73/46/53/562734653.db2.gz LDEBIWOXDWVGAS-PQJUGLJGSA-N 1 0 533.531 3.650 1 0 KHAFRO NC(=O)[C@H]([NH2+]C1CCP(=O)(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073167954 562734654 /nfs/dbraw/zinc/73/46/54/562734654.db2.gz LDEBIWOXDWVGAS-GVNSLEPHSA-N 1 0 533.531 3.650 1 0 KHAFRO CCOC(=O)N1CC[NH+](CCCCCCN2C(=O)N(CC(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000073168222 562734691 /nfs/dbraw/zinc/73/46/91/562734691.db2.gz ZVPIORFCLQSGCY-UHFFFAOYSA-N 1 0 564.683 3.702 1 0 KHAFRO CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)[C@H](C)C[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000073168862 562734789 /nfs/dbraw/zinc/73/47/89/562734789.db2.gz DZDUGXXLTINBRG-JPYJTQIMSA-N 1 0 525.097 3.925 1 0 KHAFRO COC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000073169081 562734800 /nfs/dbraw/zinc/73/48/00/562734800.db2.gz LVFMRCNROUBZAJ-SSHYCOHZSA-N 1 0 609.714 3.648 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCCc2ccccc23)C2CC2)cc(OCCOC)c1 ZINC000073169535 562734819 /nfs/dbraw/zinc/73/48/19/562734819.db2.gz ULNHETKFDOYNPV-VEEOACQBSA-N 1 0 522.686 3.860 1 0 KHAFRO COC(=O)CN1C(=O)N(CCC[NH+]2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000073170063 562734853 /nfs/dbraw/zinc/73/48/53/562734853.db2.gz SMDCWOVZUPEOSC-UHFFFAOYSA-N 1 0 526.637 3.580 1 0 KHAFRO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000073195720 562734951 /nfs/dbraw/zinc/73/49/51/562734951.db2.gz XHNBZKKCHDNRSD-UHFFFAOYSA-N 1 0 540.664 3.970 1 0 KHAFRO CN(c1ccccc1-c1ccc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3Cl)nn21)S(C)(=O)=O ZINC000073195744 562734948 /nfs/dbraw/zinc/73/49/48/562734948.db2.gz RJSFPBZAQWNTND-UHFFFAOYSA-N 1 0 526.066 3.941 1 0 KHAFRO C[NH+]1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2)CC1 ZINC000073195912 562734999 /nfs/dbraw/zinc/73/49/99/562734999.db2.gz RIKZRUCSTZUNOM-UHFFFAOYSA-N 1 0 519.675 3.969 1 0 KHAFRO CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000073196223 562735085 /nfs/dbraw/zinc/73/50/85/562735085.db2.gz MTQZOCNPQLFHLE-QFIPXVFZSA-N 1 0 511.070 3.536 1 0 KHAFRO CC[C@H](C)[C@@H]1[NH2+]CCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O ZINC000073196233 562735080 /nfs/dbraw/zinc/73/50/80/562735080.db2.gz OCWFJYXMVLSTDO-OTEJSBPHSA-N 1 0 534.745 3.650 1 0 KHAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCc2ccccc23)C2CC2)cc(OCCOC)c1 ZINC000073196255 562735088 /nfs/dbraw/zinc/73/50/88/562735088.db2.gz YEQCXSBSFLRJJT-DGPALRBDSA-N 1 0 508.659 3.817 1 0 KHAFRO C[C@H](O)C[NH+]1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2F)CC1 ZINC000073196256 562735059 /nfs/dbraw/zinc/73/50/59/562735059.db2.gz AERRKJAGWKRHEZ-FQEVSTJZSA-N 1 0 581.718 3.859 1 0 KHAFRO Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]CC(C)(C)C)ccc32)cc1 ZINC000073197331 562735347 /nfs/dbraw/zinc/73/53/47/562735347.db2.gz XPJMUWMWMBUHEK-CLJLJLNGSA-N 1 0 538.714 3.675 1 0 KHAFRO C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073197358 562735305 /nfs/dbraw/zinc/73/53/05/562735305.db2.gz FDCJXFDLMVDIQA-MUUNZHRXSA-N 1 0 561.082 3.912 1 0 KHAFRO COc1cc(N2CC[NH+](C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cc(ccc1N(C)S(C)(=O)=O)CC2 ZINC000073197433 562735388 /nfs/dbraw/zinc/73/53/88/562735388.db2.gz UMZYPCNQAPVNGF-UHFFFAOYSA-N 1 0 558.108 3.872 1 0 KHAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000073197458 562735390 /nfs/dbraw/zinc/73/53/90/562735390.db2.gz FGXRYORWZGATHJ-JCTONOIOSA-N 1 0 553.647 3.903 1 0 KHAFRO CC(C)[N@H+](C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 ZINC000073197459 562735359 /nfs/dbraw/zinc/73/53/59/562735359.db2.gz FGXRYORWZGATHJ-FJIJXJHWSA-N 1 0 553.647 3.903 1 0 KHAFRO CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000073197761 562735478 /nfs/dbraw/zinc/73/54/78/562735478.db2.gz PYHQXNOZZPJXRB-GDLZYMKVSA-N 1 0 637.181 3.730 1 0 KHAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=S)NCc2c(Cl)cccc2Cl)n1 ZINC000073197779 562735467 /nfs/dbraw/zinc/73/54/67/562735467.db2.gz MOQPGTGVMXOSSL-UHFFFAOYSA-N 1 0 521.478 3.594 1 0 KHAFRO CC(C)[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000073198100 562735514 /nfs/dbraw/zinc/73/55/14/562735514.db2.gz HQKKYCZIMIZLMD-UNWVZKJWSA-N 1 0 539.620 3.561 1 0 KHAFRO CC(C)[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 ZINC000073198102 562735523 /nfs/dbraw/zinc/73/55/23/562735523.db2.gz HQKKYCZIMIZLMD-IEIRFRATSA-N 1 0 539.620 3.561 1 0 KHAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H]([NH2+]C2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 ZINC000073198399 562735678 /nfs/dbraw/zinc/73/56/78/562735678.db2.gz UXNYTXIRIGGUEZ-WNOPAQSVSA-N 1 0 551.631 3.705 1 0 KHAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=S)NCc1c(Cl)cccc1Cl ZINC000073198523 562735793 /nfs/dbraw/zinc/73/57/93/562735793.db2.gz LUSKBBJDJNWTHJ-UHFFFAOYSA-N 1 0 521.478 3.594 1 0 KHAFRO CC(C)[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000073198895 562735856 /nfs/dbraw/zinc/73/58/56/562735856.db2.gz XWOBXXZFJAPKMT-WPYKKVEZSA-N 1 0 539.620 3.561 1 0 KHAFRO Cn1c(OCC(C)(C)C(=O)NCC[NH+](C)C)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000073221425 562736325 /nfs/dbraw/zinc/73/63/25/562736325.db2.gz RVRRCQOMAPHLDL-UHFFFAOYSA-N 1 0 514.630 3.970 1 0 KHAFRO CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CC[NH+](CC(N)=O)CC5)cc4)nn32)c1 ZINC000073222281 562736378 /nfs/dbraw/zinc/73/63/78/562736378.db2.gz QORBSYUFEAFSTK-UHFFFAOYSA-N 1 0 561.712 3.881 1 0 KHAFRO COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OCC[NH+]5CCCC5)c(OC)cc43)cn2)c1 ZINC000073224042 562736559 /nfs/dbraw/zinc/73/65/59/562736559.db2.gz JQDTYPFSLIFJAT-UHFFFAOYSA-N 1 0 518.574 3.749 1 0 KHAFRO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000073224311 562736630 /nfs/dbraw/zinc/73/66/30/562736630.db2.gz COYJFRAHOXFIGH-UHFFFAOYSA-N 1 0 507.591 3.630 1 0 KHAFRO CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[C@@H]3CC[NH2+]C3)c2C1 ZINC000073224457 562736687 /nfs/dbraw/zinc/73/66/87/562736687.db2.gz CCKLGAATCPQJFO-GFCCVEGCSA-N 1 0 542.418 3.639 1 0 KHAFRO O=S1(=O)N(CCN2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000073224629 562736685 /nfs/dbraw/zinc/73/66/85/562736685.db2.gz KQMABTQUECCYQM-UHFFFAOYSA-N 1 0 506.672 3.659 1 0 KHAFRO Cc1cc(-c2ccccc2N(C)S(C)(=O)=O)n2nc(Nc3ccc(C4CC[NH+](CC(N)=O)CC4)cc3)ncc12 ZINC000073224977 562736807 /nfs/dbraw/zinc/73/68/07/562736807.db2.gz IZXVMYGSHYBFKM-UHFFFAOYSA-N 1 0 547.685 3.509 1 0 KHAFRO CN(c1ccccc1-c1cc(Cl)c2cnc(Nc3ccc(C4CC[NH+](CC(N)=O)CC4)cc3)nn12)S(C)(=O)=O ZINC000073224978 562736792 /nfs/dbraw/zinc/73/67/92/562736792.db2.gz DUKPHDKHHJUGAK-UHFFFAOYSA-N 1 0 568.103 3.854 1 0 KHAFRO CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(s2)c(C(=O)NCC[NH+]2CCCCC2)cnc3N)cc1 ZINC000073239806 562736819 /nfs/dbraw/zinc/73/68/19/562736819.db2.gz LBLDKNCNFRSBBM-UHFFFAOYSA-N 1 0 515.705 3.838 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000073258798 562737166 /nfs/dbraw/zinc/73/71/66/562737166.db2.gz MZTWQKXZMWWZFH-FXSPECFOSA-N 1 0 552.672 3.824 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000073258800 562737191 /nfs/dbraw/zinc/73/71/91/562737191.db2.gz MZTWQKXZMWWZFH-ZEVJAHDQSA-N 1 0 552.672 3.824 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000073258802 562737180 /nfs/dbraw/zinc/73/71/80/562737180.db2.gz MZTWQKXZMWWZFH-UMFSSWHCSA-N 1 0 552.672 3.824 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000073258803 562737168 /nfs/dbraw/zinc/73/71/68/562737168.db2.gz MZTWQKXZMWWZFH-PLXFJCCSSA-N 1 0 552.672 3.824 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073258960 562737161 /nfs/dbraw/zinc/73/71/61/562737161.db2.gz YAPDHLTUASRZFG-GDLZYMKVSA-N 1 0 534.588 3.872 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073258962 562737151 /nfs/dbraw/zinc/73/71/51/562737151.db2.gz YAPDHLTUASRZFG-LJAQVGFWSA-N 1 0 534.588 3.872 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073259153 562737193 /nfs/dbraw/zinc/73/71/93/562737193.db2.gz SAVUGAHTVNEDQX-GDLZYMKVSA-N 1 0 534.588 3.872 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073259155 562737222 /nfs/dbraw/zinc/73/72/22/562737222.db2.gz SAVUGAHTVNEDQX-LJAQVGFWSA-N 1 0 534.588 3.872 1 0 KHAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073279951 562737396 /nfs/dbraw/zinc/73/73/96/562737396.db2.gz PPYMERDBEMQHQM-PMERELPUSA-N 1 0 603.851 3.791 1 0 KHAFRO C[NH+](C)CCOCCOCCOCCOCCOCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000073280232 562737429 /nfs/dbraw/zinc/73/74/29/562737429.db2.gz KFTOQOIDRDWNAO-UHFFFAOYSA-N 1 0 632.824 3.694 1 0 KHAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cccc(OC)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073293586 562737619 /nfs/dbraw/zinc/73/76/19/562737619.db2.gz STVUFIPEQOBZAX-WJOKGBTCSA-N 1 0 633.877 3.800 1 0 KHAFRO CC[N@H+]1CC(=Cc2cc(OC)c(OC)c(OC)c2)C2=NC(=S)N[C@@H](c3cc(OC)c(OC)c(OC)c3)C2C1 ZINC000073298404 562737762 /nfs/dbraw/zinc/73/77/62/562737762.db2.gz VOPZVJNXHVVVFM-AVQBUJNVSA-N 1 0 541.670 3.930 1 0 KHAFRO CC[N@H+]1CC(=Cc2cc(OC)c(OC)c(OC)c2)C2=NC(=S)N[C@H](c3cc(OC)c(OC)c(OC)c3)C2C1 ZINC000073298407 562737814 /nfs/dbraw/zinc/73/78/14/562737814.db2.gz VOPZVJNXHVVVFM-CIOPSUNISA-N 1 0 541.670 3.930 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000082136163 562738915 /nfs/dbraw/zinc/73/89/15/562738915.db2.gz RYHSGCXJLCXQNY-BHIIZCCYSA-N 1 0 736.910 3.538 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000082136166 562738925 /nfs/dbraw/zinc/73/89/25/562738925.db2.gz RYHSGCXJLCXQNY-BPQGAVCVSA-N 1 0 736.910 3.538 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000082136168 562738887 /nfs/dbraw/zinc/73/88/87/562738887.db2.gz RYHSGCXJLCXQNY-RLGMKUBISA-N 1 0 736.910 3.538 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000082136172 562738911 /nfs/dbraw/zinc/73/89/11/562738911.db2.gz RYHSGCXJLCXQNY-VJHFPMCYSA-N 1 0 736.910 3.538 1 0 KHAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccn3)C[NH2+]2)C1=O ZINC000082137941 562739050 /nfs/dbraw/zinc/73/90/50/562739050.db2.gz KJMWIIZCJOFKRK-OWZFEUMLSA-N 1 0 691.820 3.712 1 0 KHAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccn3)C[NH2+]2)C1=O ZINC000082137942 562739044 /nfs/dbraw/zinc/73/90/44/562739044.db2.gz KJMWIIZCJOFKRK-ZVASTAODSA-N 1 0 691.820 3.712 1 0 KHAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3cccnc3)C[NH2+]2)C1=O ZINC000082137943 562739047 /nfs/dbraw/zinc/73/90/47/562739047.db2.gz MOVPTFOREGYDPM-GYCGKJSNSA-N 1 0 691.820 3.712 1 0 KHAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3cccnc3)C[NH2+]2)C1=O ZINC000082137944 562739037 /nfs/dbraw/zinc/73/90/37/562739037.db2.gz MOVPTFOREGYDPM-ZJLMQAMTSA-N 1 0 691.820 3.712 1 0 KHAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3cccnc3)C[NH2+]2)C1=O ZINC000082137953 562739057 /nfs/dbraw/zinc/73/90/57/562739057.db2.gz DBYZUQAQFHNTAT-GFTVEPPYSA-N 1 0 705.847 3.850 1 0 KHAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3cccnc3)C[NH2+]2)C1=O ZINC000082137954 562739061 /nfs/dbraw/zinc/73/90/61/562739061.db2.gz DBYZUQAQFHNTAT-GSGBZKRBSA-N 1 0 705.847 3.850 1 0 KHAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](S(=O)(=O)c3ccccc3)C[NH2+]2)C1=O ZINC000082137989 562739087 /nfs/dbraw/zinc/73/90/87/562739087.db2.gz SUUVJOHVGBRKCM-GFTVEPPYSA-N 1 0 738.898 3.712 1 0 KHAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](S(=O)(=O)c3ccccc3)C[NH2+]2)C1=O ZINC000082137990 562739090 /nfs/dbraw/zinc/73/90/90/562739090.db2.gz SUUVJOHVGBRKCM-GSGBZKRBSA-N 1 0 738.898 3.712 1 0 KHAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccn3)C[NH2+]2)C1=O ZINC000082137997 562739124 /nfs/dbraw/zinc/73/91/24/562739124.db2.gz JUNJDMWAWDTTAA-GFTVEPPYSA-N 1 0 705.847 3.850 1 0 KHAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccn3)C[NH2+]2)C1=O ZINC000082137998 562739119 /nfs/dbraw/zinc/73/91/19/562739119.db2.gz JUNJDMWAWDTTAA-GSGBZKRBSA-N 1 0 705.847 3.850 1 0 KHAFRO CC[NH+](CC)CCNC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C)cc1 ZINC000082138041 562739161 /nfs/dbraw/zinc/73/91/61/562739161.db2.gz YSWVFAAITRJIKI-XVYWTRDJSA-N 1 0 663.926 3.523 1 0 KHAFRO CC[NH+](CC)CCNC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C)cc1 ZINC000082138042 562739152 /nfs/dbraw/zinc/73/91/52/562739152.db2.gz UQKWSLVUBDFDSI-PPIKHWDVSA-N 1 0 697.943 3.719 1 0 KHAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H]([C@H](O)CCC)C2=O)C1 ZINC000082138049 562739149 /nfs/dbraw/zinc/73/91/49/562739149.db2.gz XXIRTBPDSKEUAH-BOSRKNLLSA-N 1 0 615.762 3.521 1 0 KHAFRO CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082139981 562739316 /nfs/dbraw/zinc/73/93/16/562739316.db2.gz LRESQLSTQGBEMN-SSEXGKCCSA-N 1 0 651.208 3.772 1 0 KHAFRO CC(C)[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082140104 562739350 /nfs/dbraw/zinc/73/93/50/562739350.db2.gz FLINZDKAJGFTLP-JLRUASKGSA-N 1 0 637.725 3.798 1 0 KHAFRO COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(C[NH2+]C3CC3)ccc2Cl)C2CC2)cn1 ZINC000082140616 562739536 /nfs/dbraw/zinc/73/95/36/562739536.db2.gz WVCADMFXEZOJSF-SSEXGKCCSA-N 1 0 649.192 3.872 1 0 KHAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC(C)C)(NC(C)=O)C2=O)C1 ZINC000082140785 562739603 /nfs/dbraw/zinc/73/96/03/562739603.db2.gz LPZOLMFQGUDKQH-ZXWXCOCLSA-N 1 0 656.815 3.665 1 0 in-vitro KHAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@@H](C)CC)C2=O)C1 ZINC000082140789 562739624 /nfs/dbraw/zinc/73/96/24/562739624.db2.gz NIJRXGKMRCWJPW-IQKAAWDYSA-N 1 0 656.815 3.665 1 0 KHAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@H](C)CC)C2=O)C1 ZINC000082140793 562739582 /nfs/dbraw/zinc/73/95/82/562739582.db2.gz NIJRXGKMRCWJPW-MLKLTFHDSA-N 1 0 656.815 3.665 1 0 KHAFRO C[NH+](C)CCCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000082148958 562739649 /nfs/dbraw/zinc/73/96/49/562739649.db2.gz PJLJRHMECPLVHH-UHFFFAOYSA-N 1 0 619.421 3.769 1 0 KHAFRO CCC[N@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082150500 562739815 /nfs/dbraw/zinc/73/98/15/562739815.db2.gz DCNNUQXERPVVAU-JCTONOIOSA-N 1 0 553.647 3.904 1 0 KHAFRO CN(c1ccc2cc1Nc1nc(ncc1Cl)Nc1ccc(N3CC[NH+](C)CC3)c(c1)CC2)S(C)(=O)=O ZINC000082151211 562739927 /nfs/dbraw/zinc/73/99/27/562739927.db2.gz VPIYVBWLZFYYNW-UHFFFAOYSA-N 1 0 528.082 3.863 1 0 KHAFRO Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000082151380 562739908 /nfs/dbraw/zinc/73/99/08/562739908.db2.gz SRMQELLGDPZQFB-KAYWLYCHSA-N 1 0 536.698 3.525 1 0 KHAFRO COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(C[NH2+]CCF)ccc2Cl)C2CC2)cn1 ZINC000082154591 562740353 /nfs/dbraw/zinc/74/03/53/562740353.db2.gz USRDWJZMJGXHEO-GDLZYMKVSA-N 1 0 655.171 3.679 1 0 KHAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 ZINC000082156679 562740742 /nfs/dbraw/zinc/74/07/42/562740742.db2.gz FGXRYORWZGATHJ-ODGPQVTHSA-N 1 0 553.647 3.903 1 0 KHAFRO CCC[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082156993 562740789 /nfs/dbraw/zinc/74/07/89/562740789.db2.gz KHCGQNNAJBTIHM-UNWVZKJWSA-N 1 0 539.620 3.562 1 0 KHAFRO COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CC[NH2+]C3CC3)ccc2Cl)C2CC2)cn1 ZINC000082157204 562740873 /nfs/dbraw/zinc/74/08/73/562740873.db2.gz UKSYAVWXTLCVHE-WJOKGBTCSA-N 1 0 663.219 3.915 1 0 KHAFRO C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082157228 562740878 /nfs/dbraw/zinc/74/08/78/562740878.db2.gz HTKBCSCDASRCRK-GDLZYMKVSA-N 1 0 575.109 3.955 1 0 KHAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1 ZINC000082178694 562741725 /nfs/dbraw/zinc/74/17/25/562741725.db2.gz MELLPTHIQUBYAE-LJAQVGFWSA-N 1 0 672.836 3.587 1 0 KHAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000084331994 562742839 /nfs/dbraw/zinc/74/28/39/562742839.db2.gz MPBXDRLQKKQOEK-HHHXNRCGSA-N 1 0 533.694 3.702 1 0 KHAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000084331995 562742863 /nfs/dbraw/zinc/74/28/63/562742863.db2.gz MPBXDRLQKKQOEK-MHZLTWQESA-N 1 0 533.694 3.702 1 0 KHAFRO C[C@@]([NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000084409972 562743018 /nfs/dbraw/zinc/74/30/18/562743018.db2.gz PCLXSFNCKFHCGP-DHLKQENFSA-N 1 0 535.569 3.542 1 0 KHAFRO CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000084544175 562743293 /nfs/dbraw/zinc/74/32/93/562743293.db2.gz VKSCSFHLPAAEGS-PSWAGMNNSA-N 1 0 568.686 3.672 1 0 KHAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000084581598 562743388 /nfs/dbraw/zinc/74/33/88/562743388.db2.gz VUBTZEVOZNXJTP-NDEPHWFRSA-N 1 0 658.809 3.544 1 0 KHAFRO CC(=O)NCCc1ccccc1-c1onc([C@H]2C[NH2+]CC[C@]2(C(N)=O)c2ccc(F)c(F)c2)c1Br ZINC000084586868 562743466 /nfs/dbraw/zinc/74/34/66/562743466.db2.gz GMLLRQVRERMQBQ-CJAUYULYSA-N 1 0 547.400 3.561 1 0 KHAFRO CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCS(=O)(=O)CC1 ZINC000084589090 562743568 /nfs/dbraw/zinc/74/35/68/562743568.db2.gz OKDLDIPTQLRFQX-FQLXRVMXSA-N 1 0 615.240 3.740 1 0 KHAFRO CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCS(=O)(=O)CC1 ZINC000084589091 562743576 /nfs/dbraw/zinc/74/35/76/562743576.db2.gz OKDLDIPTQLRFQX-URLMMPGGSA-N 1 0 615.240 3.740 1 0 KHAFRO COCCOc1cccc(N2CC[NH+](Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c1 ZINC000084595511 562743647 /nfs/dbraw/zinc/74/36/47/562743647.db2.gz YPLSAANPEOTTRA-UHFFFAOYSA-N 1 0 525.613 3.981 1 0 KHAFRO CN(C)S(=O)(=O)c1cc(F)ccc1-c1nc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)ncc1Cl ZINC000084596604 562743726 /nfs/dbraw/zinc/74/37/26/562743726.db2.gz FAFKQPHWLBYNEY-UHFFFAOYSA-N 1 0 519.046 3.677 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000084596608 562743739 /nfs/dbraw/zinc/74/37/39/562743739.db2.gz JZNDGRXEKKEXAU-MHZLTWQESA-N 1 0 596.773 3.785 1 0 KHAFRO CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CC[NH+](C)CC3)cc2)ncc1Cl ZINC000084596665 562743744 /nfs/dbraw/zinc/74/37/44/562743744.db2.gz DUVYKNYFBDYPNC-UHFFFAOYSA-N 1 0 502.044 3.619 1 0 KHAFRO C[NH2+]C[C@H](C[C@@H]1CCCOC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1 ZINC000084596936 562743842 /nfs/dbraw/zinc/74/38/42/562743842.db2.gz GCNDDOJRCKHYLZ-ZXHYAQOVSA-N 1 0 525.090 3.580 1 0 KHAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000084596938 562743884 /nfs/dbraw/zinc/74/38/84/562743884.db2.gz HFYJVMKRIIAVFV-SZAHLOSFSA-N 1 0 683.831 3.597 1 0 KHAFRO CCC(=O)c1cc(NCC[NH+]2CCCC2)c(C)c(N2CCN(c3ncnc4n[nH]c(Br)c43)CC2)c1 ZINC000084596941 562743879 /nfs/dbraw/zinc/74/38/79/562743879.db2.gz DEJZGAXRKVTAOI-UHFFFAOYSA-N 1 0 541.498 3.851 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](CCc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084602822 562744087 /nfs/dbraw/zinc/74/40/87/562744087.db2.gz DDFNDADPVSFPRY-YYKZIPJASA-N 1 0 548.643 3.899 1 0 KHAFRO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC(=O)N32)cc1O ZINC000084603968 562744241 /nfs/dbraw/zinc/74/42/41/562744241.db2.gz BLUICHUIBBYUNP-PCFFTZKOSA-N 1 0 536.632 3.842 1 0 KHAFRO COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC(=O)N32)ccc1O ZINC000084603970 562744218 /nfs/dbraw/zinc/74/42/18/562744218.db2.gz GSHABNYARZGBHU-PCFFTZKOSA-N 1 0 536.632 3.842 1 0 KHAFRO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084604794 562744322 /nfs/dbraw/zinc/74/43/22/562744322.db2.gz WCTXOTFLYBDTMX-HHHXNRCGSA-N 1 0 504.631 3.888 1 0 KHAFRO C[NH+](C)[C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000084611184 562744330 /nfs/dbraw/zinc/74/43/30/562744330.db2.gz BOSMDIPMRDHNDU-JIZBBPSKSA-N 1 0 600.207 3.850 1 0 KHAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(=O)NCC)cc(C(F)(F)F)c1 ZINC000084616317 562744628 /nfs/dbraw/zinc/74/46/28/562744628.db2.gz JLXFZPHKYALBNN-ZEQRLZLVSA-N 1 0 550.622 3.836 1 0 KHAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3cccnc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084617198 562744786 /nfs/dbraw/zinc/74/47/86/562744786.db2.gz ZTFUHWVRNWUHPA-UHFFFAOYSA-N 1 0 512.098 3.843 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4nonc4c3)N12 ZINC000084617504 562744908 /nfs/dbraw/zinc/74/49/08/562744908.db2.gz KNLDUAWIPCRXMQ-AQEANLGOSA-N 1 0 532.604 3.664 1 0 KHAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC ZINC000084617774 562744963 /nfs/dbraw/zinc/74/49/63/562744963.db2.gz WMOYUNWNZFLZJG-ZEQRLZLVSA-N 1 0 565.637 3.629 1 0 KHAFRO Cc1noc(-c2cc(NCC[NH+]3CCCC3)c(C)c(N3CCN(c4ncnc5n[nH]c(Br)c54)CC3)c2)n1 ZINC000084617957 562744981 /nfs/dbraw/zinc/74/49/81/562744981.db2.gz HGCQHRUBKWVKHA-UHFFFAOYSA-N 1 0 567.496 3.617 1 0 KHAFRO Cc1cnc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)nc1-c1ccc(F)cc1S(=O)(=O)N1CCCC1 ZINC000084618181 562745089 /nfs/dbraw/zinc/74/50/89/562745089.db2.gz ROMWGAVCDHKSEF-UHFFFAOYSA-N 1 0 524.666 3.867 1 0 KHAFRO C[NH+]1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084618186 562745054 /nfs/dbraw/zinc/74/50/54/562745054.db2.gz OIZOEFZBWPPINW-UHFFFAOYSA-N 1 0 528.629 3.697 1 0 KHAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 ZINC000084618432 562745079 /nfs/dbraw/zinc/74/50/79/562745079.db2.gz JTCVGERMLBNBMZ-DQEYMECFSA-N 1 0 577.648 3.725 1 0 KHAFRO O=C(C[C@H](Nc1cc(Cl)ncn1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084619483 562745285 /nfs/dbraw/zinc/74/52/85/562745285.db2.gz JXWXGOJNYYAPHJ-SANMLTNESA-N 1 0 609.175 3.816 1 0 KHAFRO O=C(C[C@H](Nc1nc(Cl)nc2n[nH]cc21)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084619489 562745262 /nfs/dbraw/zinc/74/52/62/562745262.db2.gz HJEUHGRWMSSEQS-SANMLTNESA-N 1 0 649.200 3.693 1 0 KHAFRO O=C(C[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084619516 562745244 /nfs/dbraw/zinc/74/52/44/562745244.db2.gz CHNMSYYZAVNMRF-PMERELPUSA-N 1 0 636.744 3.969 1 0 KHAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084620043 562745367 /nfs/dbraw/zinc/74/53/67/562745367.db2.gz JGDKPXKBBKEBOH-UHFFFAOYSA-N 1 0 512.098 3.843 1 0 KHAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(CNC(=O)c3cnccn3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084620176 562745422 /nfs/dbraw/zinc/74/54/22/562745422.db2.gz ZEORDWZZWYDFDT-UHFFFAOYSA-N 1 0 555.123 3.562 1 0 KHAFRO Cc1c(NCC[NH+]2CCCC2)cc(Cl)cc1N1CCN(c2ncnc3n[nH]c(Br)c32)CC1 ZINC000084632364 562745511 /nfs/dbraw/zinc/74/55/11/562745511.db2.gz VPUFQSGUFCOEEC-UHFFFAOYSA-N 1 0 519.879 3.912 1 0 KHAFRO CCOc1cc(NCC[NH+]2CCCC2)c(C)c(N2CCN(c3ncnc4n[nH]c(Br)c43)CC2)c1 ZINC000084632479 562745538 /nfs/dbraw/zinc/74/55/38/562745538.db2.gz HNGORDVZNLENER-UHFFFAOYSA-N 1 0 529.487 3.657 1 0 KHAFRO COc1ccc(C[N@@H+]2CC[C@@H](N3CC(=O)N4[C@H](Cc5c6ccccc6[nH]c5[C@H]4c4ccc5c(c4)OCO5)C3=O)C2)cc1 ZINC000084633327 562745724 /nfs/dbraw/zinc/74/57/24/562745724.db2.gz MIUDXXHDQZQODC-ZGJWRPMSSA-N 1 0 564.642 3.865 1 0 KHAFRO C[NH+]1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCOCC4)n3)cc2)CC1 ZINC000084633965 562745816 /nfs/dbraw/zinc/74/58/16/562745816.db2.gz QORUQTSRXZQJSI-UHFFFAOYSA-N 1 0 576.098 3.525 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](CCOc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084633971 562745827 /nfs/dbraw/zinc/74/58/27/562745827.db2.gz FUDBHAWOKCVAEO-ZGJWRPMSSA-N 1 0 564.642 3.735 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCCO4)N12 ZINC000084635125 562746090 /nfs/dbraw/zinc/74/60/90/562746090.db2.gz IWHQCOIEYSLRCR-YYKZIPJASA-N 1 0 548.643 3.899 1 0 KHAFRO O=C1CN([C@@H]2CC[N@H+](CC3CCCC3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084635152 562746114 /nfs/dbraw/zinc/74/61/14/562746114.db2.gz WXYKUHWQEKWQNW-WIISGGPLSA-N 1 0 526.637 3.846 1 0 KHAFRO C[NH2+]C[C@@H](NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)[C@@H](O)C1CCCCC1 ZINC000084635280 562746150 /nfs/dbraw/zinc/74/61/50/562746150.db2.gz GOOZHZPTJHCQEV-VGCGRUFVSA-N 1 0 539.117 3.705 1 0 KHAFRO C[NH2+]C[C@H](CC1CCOCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1 ZINC000084635282 562746147 /nfs/dbraw/zinc/74/61/47/562746147.db2.gz PNDYJPUJHZPECK-NHTMILBNSA-N 1 0 525.090 3.580 1 0 KHAFRO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccc(C)c(Cl)c2)CC1 ZINC000084635473 562746197 /nfs/dbraw/zinc/74/61/97/562746197.db2.gz MOMSKEJCDQYLFF-WMPKNSHKSA-N 1 0 581.161 3.741 1 0 KHAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C2)c2ccc(C)c(Cl)c2)CC1 ZINC000084635475 562746163 /nfs/dbraw/zinc/74/61/63/562746163.db2.gz MOMSKEJCDQYLFF-UIOOFZCWSA-N 1 0 581.161 3.741 1 0 KHAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccc(C)c(Cl)c2)CC1 ZINC000084635478 562746202 /nfs/dbraw/zinc/74/62/02/562746202.db2.gz MOMSKEJCDQYLFF-CLJLJLNGSA-N 1 0 581.161 3.741 1 0 KHAFRO C[NH+]1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(O)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084635716 562746217 /nfs/dbraw/zinc/74/62/17/562746217.db2.gz PMUGDSIYZDFHKE-UHFFFAOYSA-N 1 0 558.108 3.855 1 0 KHAFRO C[C@H](NS(=O)(=O)N1CCN(/C(C=[NH2+])=C(\OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)CC1)c1cccc(N)c1 ZINC000084651910 562746363 /nfs/dbraw/zinc/74/63/63/562746363.db2.gz CKUYFIGFIXRPQB-FMHKRUHSSA-N 1 0 575.135 3.752 1 0 KHAFRO C[C@@H](NS(=O)(=O)N1CCN(/C(C=[NH2+])=C(\OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)CC1)c1cccc(N)c1 ZINC000084651911 562746376 /nfs/dbraw/zinc/74/63/76/562746376.db2.gz CKUYFIGFIXRPQB-FNZWOFNTSA-N 1 0 575.135 3.752 1 0 KHAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(C)C2=O)c1 ZINC000084652470 562746525 /nfs/dbraw/zinc/74/65/25/562746525.db2.gz ALLFOBCVMVMHJI-UHFFFAOYSA-N 1 0 528.617 3.809 1 0 KHAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 ZINC000084652521 562746590 /nfs/dbraw/zinc/74/65/90/562746590.db2.gz YRHFGCZZOFVMRB-MONBJTKQSA-N 1 0 532.600 3.753 1 0 KHAFRO COCCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000084652855 562746693 /nfs/dbraw/zinc/74/66/93/562746693.db2.gz UFTQHVSGRKPXMV-VVSUHNQASA-N 1 0 620.706 3.785 1 0 KHAFRO O=C(NC[C@@H]1CC[C@@H]([NH2+]CCO)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc21 ZINC000084653282 562746821 /nfs/dbraw/zinc/74/68/21/562746821.db2.gz QXOYXBXFMZTJDV-RPBOFIJWSA-N 1 0 508.622 3.887 1 0 KHAFRO O=C(NC[C@@H]1CC[C@H]([NH2+]CCO)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc21 ZINC000084653283 562746804 /nfs/dbraw/zinc/74/68/04/562746804.db2.gz QXOYXBXFMZTJDV-DQEYMECFSA-N 1 0 508.622 3.887 1 0 KHAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(C2)OC(=O)N(C(C)C)C3=O)CC1 ZINC000084653457 562746857 /nfs/dbraw/zinc/74/68/57/562746857.db2.gz FUUOXSZQIOKPPS-HHHXNRCGSA-N 1 0 556.689 3.573 1 0 KHAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(C2)OC(=O)N(C(C)C)C3=O)CC1 ZINC000084653458 562746844 /nfs/dbraw/zinc/74/68/44/562746844.db2.gz FUUOXSZQIOKPPS-MHZLTWQESA-N 1 0 556.689 3.573 1 0 KHAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(C2)N=C(C)N(C(C)C)C3=O)CC1 ZINC000084653459 562746852 /nfs/dbraw/zinc/74/68/52/562746852.db2.gz JYAWOELLOJIOGA-MUUNZHRXSA-N 1 0 553.733 3.854 1 0 KHAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(C2)N=C(C)N(C(C)C)C3=O)CC1 ZINC000084653460 562746877 /nfs/dbraw/zinc/74/68/77/562746877.db2.gz JYAWOELLOJIOGA-NDEPHWFRSA-N 1 0 553.733 3.854 1 0 KHAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)OCc5cccnc5)cc4)[nH]n3)cc2)CC1 ZINC000084653538 562746904 /nfs/dbraw/zinc/74/69/04/562746904.db2.gz UYKQCKLULNMAQI-UHFFFAOYSA-N 1 0 525.613 3.902 1 0 KHAFRO CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1NC(C)=O ZINC000084654028 562747188 /nfs/dbraw/zinc/74/71/88/562747188.db2.gz MJXQUEMDNFSOMU-DSBYRVASSA-N 1 0 504.668 3.750 1 0 KHAFRO CSc1ccccc1Nc1nc(N2CCC(N3CC[NH2+]CC3)CC2)nc2c(NCC3CC3)ncnc12 ZINC000084654288 562747206 /nfs/dbraw/zinc/74/72/06/562747206.db2.gz XYMZLLDSUXWTKY-UHFFFAOYSA-N 1 0 505.696 3.581 1 0 KHAFRO CSc1ccccc1Nc1nc(N2CCC([NH+]3CCN(C)CC3)CC2)nc2c(NCC3CC3)ncnc12 ZINC000084654292 562747200 /nfs/dbraw/zinc/74/72/00/562747200.db2.gz QTXNYFVNCGGRHE-UHFFFAOYSA-N 1 0 519.723 3.923 1 0 KHAFRO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000084668522 562747661 /nfs/dbraw/zinc/74/76/61/562747661.db2.gz LUIJLIIDIVJXQI-UHFFFAOYSA-N 1 0 570.690 3.978 1 0 KHAFRO CCN1C(=O)[C@@]2(CCC[N@@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)N=C1C(C)C ZINC000084668640 562747704 /nfs/dbraw/zinc/74/77/04/562747704.db2.gz HHBWOUJUTZISGG-MHZLTWQESA-N 1 0 524.691 3.748 1 0 KHAFRO CCN1C(=O)[C@]2(CCC[N@@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)N=C1C(C)C ZINC000084668641 562747718 /nfs/dbraw/zinc/74/77/18/562747718.db2.gz HHBWOUJUTZISGG-HHHXNRCGSA-N 1 0 524.691 3.748 1 0 KHAFRO CCC1=N[C@@]2(CCC[N@@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)C(=O)N1CC ZINC000084669001 562747827 /nfs/dbraw/zinc/74/78/27/562747827.db2.gz LJTZXAQDQKSUFJ-AREMUKBSSA-N 1 0 510.664 3.502 1 0 KHAFRO CCC1=N[C@]2(CCC[N@@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)C(=O)N1CC ZINC000084669002 562747803 /nfs/dbraw/zinc/74/78/03/562747803.db2.gz LJTZXAQDQKSUFJ-SANMLTNESA-N 1 0 510.664 3.502 1 0 KHAFRO C[NH+]1CCN(CCCNC(=O)c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)cn2CC[C@H](O)CO)CC1 ZINC000084669251 562747932 /nfs/dbraw/zinc/74/79/32/562747932.db2.gz DXJMWRCEEVNUJU-VWLOTQADSA-N 1 0 525.093 3.586 1 0 in-vitro KHAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 ZINC000084669401 562748003 /nfs/dbraw/zinc/74/80/03/562748003.db2.gz VOALVXSOIZPBFI-JZWVFAODSA-N 1 0 514.610 3.614 1 0 KHAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1 ZINC000084669503 562748006 /nfs/dbraw/zinc/74/80/06/562748006.db2.gz ZFYVKSUBHAFIJY-BUVFEPMLSA-N 1 0 513.473 3.574 1 0 KHAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OC(F)(F)F)c3)[C@@H]2O)c1 ZINC000084669884 562748105 /nfs/dbraw/zinc/74/81/05/562748105.db2.gz WXCDYKNOGRLTKM-AGHHOFFYSA-N 1 0 500.583 3.571 1 0 KHAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(N4CCOCC4)cc3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084670083 562748154 /nfs/dbraw/zinc/74/81/54/562748154.db2.gz WOFLYJYTODVGLV-UHFFFAOYSA-N 1 0 605.699 3.985 1 0 KHAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2cc(F)ccc2Cl)CC1(C)C)C(=O)NC1CCCCC1 ZINC000084670176 562748186 /nfs/dbraw/zinc/74/81/86/562748186.db2.gz ISAIFDWINSQQSH-SSPYTLHUSA-N 1 0 525.109 3.706 1 0 KHAFRO CO[C@@H](Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000084670375 562748235 /nfs/dbraw/zinc/74/82/35/562748235.db2.gz ODSVQQSZOQPNMO-SXPAWZJZSA-N 1 0 560.654 3.932 1 0 KHAFRO Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1-n1cnc2ccc(N3CC[NH+](C)CC3)cc2c1=O ZINC000084670980 562748409 /nfs/dbraw/zinc/74/84/09/562748409.db2.gz AYOQBSVJMUNSBV-UHFFFAOYSA-N 1 0 538.652 3.535 1 0 KHAFRO COc1cc2c(c3c1OCO3)-c1c3c(c(OC)cc1C(=O)N(CCN1CC[NH+](Cc4ccccc4)CC1)C2)OCO3 ZINC000084671185 562748549 /nfs/dbraw/zinc/74/85/49/562748549.db2.gz GVEYRVBZUUCQQA-UHFFFAOYSA-N 1 0 559.619 3.602 1 0 KHAFRO [NH3+][C@@H](CC(=O)N1CCN(C(=O)c2cccc(-c3ccc(F)cc3)n2)CC1)Cc1cc(F)c(F)cc1F ZINC000084671631 562748660 /nfs/dbraw/zinc/74/86/60/562748660.db2.gz CEUHNJVXCHXXJT-LJQANCHMSA-N 1 0 500.496 3.550 1 0 KHAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1CCCCC1 ZINC000084672341 562748779 /nfs/dbraw/zinc/74/87/79/562748779.db2.gz RYWDUVLHECXZTC-SSPYTLHUSA-N 1 0 507.119 3.567 1 0 KHAFRO O=C(N[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084672524 562748823 /nfs/dbraw/zinc/74/88/23/562748823.db2.gz IIJZAIVUEQLMGA-MUUNZHRXSA-N 1 0 544.700 3.894 1 0 KHAFRO COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH3+])n(C)c4)n(C)c3)cc2)c1 ZINC000084688021 562749075 /nfs/dbraw/zinc/74/90/75/562749075.db2.gz PZDKQJVTRYBAAA-BQYQJAHWSA-N 1 0 540.624 3.736 1 0 KHAFRO O=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084688159 562749063 /nfs/dbraw/zinc/74/90/63/562749063.db2.gz HBRMZOPADQKLOP-GDLZYMKVSA-N 1 0 629.762 3.731 1 0 KHAFRO COc1ccc2cc(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@H]3O7)ccc2c1 ZINC000084688695 562749245 /nfs/dbraw/zinc/74/92/45/562749245.db2.gz PTSRONBSHBKIEY-RQZMOBKGSA-N 1 0 526.633 3.917 1 0 KHAFRO COc1cc2ccccc2cc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000084688696 562749227 /nfs/dbraw/zinc/74/92/27/562749227.db2.gz KDBOGMDNQORPHX-BYXCPYIISA-N 1 0 526.633 3.917 1 0 KHAFRO Cn1cc2c(n1)nc(NC(=O)NC1CC[NH+](Cc3ccc(Cl)cc3)CC1)n1nc(-c3ccco3)nc21 ZINC000084688713 562749240 /nfs/dbraw/zinc/74/92/40/562749240.db2.gz CYGGZUHZUBBEKA-UHFFFAOYSA-N 1 0 505.970 3.711 1 0 KHAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6[NH3+])CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000084689146 562749320 /nfs/dbraw/zinc/74/93/20/562749320.db2.gz RWLJYCYCDKMCBA-FQAINDKLSA-N 1 0 575.787 3.505 1 0 KHAFRO O=C(N[C@@H](Cc1ccc2n[nH]cc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084689309 562749330 /nfs/dbraw/zinc/74/93/30/562749330.db2.gz XNPPAPISIBTENR-LJAQVGFWSA-N 1 0 598.752 3.641 1 0 KHAFRO O=C(N[C@H](Cc1ccc2n[nH]cc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084689312 562749350 /nfs/dbraw/zinc/74/93/50/562749350.db2.gz XNPPAPISIBTENR-GDLZYMKVSA-N 1 0 598.752 3.641 1 0 KHAFRO C[NH+](C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N3CCCC3)oc2c1 ZINC000084689846 562749427 /nfs/dbraw/zinc/74/94/27/562749427.db2.gz UKVVUPPPZVSRBB-RRPNLBNLSA-N 1 0 606.749 3.787 1 0 KHAFRO O[C@H](CSc1nnnn1-c1ccccc1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000084690247 562749511 /nfs/dbraw/zinc/74/95/11/562749511.db2.gz OXKOYPNCWLULNV-SANMLTNESA-N 1 0 501.656 3.763 1 0 KHAFRO O[C@@H](CSc1nnnn1-c1ccccc1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000084690248 562749503 /nfs/dbraw/zinc/74/95/03/562749503.db2.gz OXKOYPNCWLULNV-AREMUKBSSA-N 1 0 501.656 3.763 1 0 KHAFRO O=C(NC1CC[NH2+]CC1)c1nn(-c2ccc(Cl)cc2)c(=O)cc1N1CCC(Cc2ccccc2)CC1 ZINC000084690913 562749763 /nfs/dbraw/zinc/74/97/63/562749763.db2.gz QYAFNNLRCKPGEO-UHFFFAOYSA-N 1 0 506.050 3.827 1 0 KHAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC2(CC1)NC(c1ccncc1)=NC2=O ZINC000084690951 562749782 /nfs/dbraw/zinc/74/97/82/562749782.db2.gz QFAKOKVWYSUHTO-MUUNZHRXSA-N 1 0 627.815 3.805 1 0 KHAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC2(CC1)NC(c1cccnc1)=NC2=O ZINC000084690952 562749761 /nfs/dbraw/zinc/74/97/61/562749761.db2.gz ZCNMWXVYAOEECK-MUUNZHRXSA-N 1 0 627.815 3.805 1 0 KHAFRO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084703600 562749750 /nfs/dbraw/zinc/74/97/50/562749750.db2.gz DUNNNDWSCKYRHN-MUUNZHRXSA-N 1 0 558.727 3.764 1 0 KHAFRO O=C(N[C@H](Cc1ccc2n[nH]nc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084707405 562750094 /nfs/dbraw/zinc/75/00/94/562750094.db2.gz GTTXVOAFXQHQKC-SSEXGKCCSA-N 1 0 613.767 3.568 1 0 KHAFRO CC(=O)Nc1ccc(C[C@@H](NC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000084707461 562750117 /nfs/dbraw/zinc/75/01/17/562750117.db2.gz QSCWOFMPKJNPPC-SSEXGKCCSA-N 1 0 615.779 3.723 1 0 KHAFRO O=C(N[C@H](CCc1ccc(O)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084708727 562750220 /nfs/dbraw/zinc/75/02/20/562750220.db2.gz GGDOSSMCXZDNEU-GDLZYMKVSA-N 1 0 588.753 3.860 1 0 KHAFRO COc1ccc(C[C@@H](NC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000084708730 562750243 /nfs/dbraw/zinc/75/02/43/562750243.db2.gz RXMBCEUXOZKTFW-GDLZYMKVSA-N 1 0 588.753 3.773 1 0 KHAFRO O=C(N[C@H](Cc1ccc2c(c1)CC(=O)N2)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084709568 562750406 /nfs/dbraw/zinc/75/04/06/562750406.db2.gz JWHJIIANXOMUPH-WJOKGBTCSA-N 1 0 627.790 3.791 1 0 KHAFRO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCC([NH+]6CCOCC6)CC5)c4)nc23)cc1 ZINC000084709985 562750428 /nfs/dbraw/zinc/75/04/28/562750428.db2.gz GYQHHRDRGBGZKH-UHFFFAOYSA-N 1 0 532.670 3.844 1 0 KHAFRO Cc1cc(COC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)cc2)no1 ZINC000084710218 562750472 /nfs/dbraw/zinc/75/04/72/562750472.db2.gz RRLMXJYNEGEVPP-UHFFFAOYSA-N 1 0 529.601 3.804 1 0 KHAFRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)CSc1nnnn1-c1ccccc1)CC2 ZINC000084710415 562750455 /nfs/dbraw/zinc/75/04/55/562750455.db2.gz BZKSURTZAZDUCA-NVQXNPDNSA-N 1 0 503.628 3.780 1 0 KHAFRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](C[C@H](O)CSc1nnnn1-c1ccccc1)CC2 ZINC000084710419 562750525 /nfs/dbraw/zinc/75/05/25/562750525.db2.gz BZKSURTZAZDUCA-BKMJKUGQSA-N 1 0 503.628 3.780 1 0 KHAFRO CN1CC[NH+](C2CCN(c3cccc(Nc4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)c3)CC2)CC1 ZINC000084710780 562750553 /nfs/dbraw/zinc/75/05/53/562750553.db2.gz AOZVGWQFXBDXCF-UHFFFAOYSA-N 1 0 545.713 3.760 1 0 KHAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CNS(=O)(=O)c5ccccc5)cc4)[nH]n3)cc2)CC1 ZINC000084711029 562750590 /nfs/dbraw/zinc/75/05/90/562750590.db2.gz WFYFFAMAONWHGA-UHFFFAOYSA-N 1 0 530.654 3.559 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000084722770 562751029 /nfs/dbraw/zinc/75/10/29/562751029.db2.gz VKVITVHQCQZPNY-PUUVEUEGSA-N 1 0 536.742 3.509 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000084725517 562751246 /nfs/dbraw/zinc/75/12/46/562751246.db2.gz FDYCYWOLTSESDK-FAQZDJIUSA-N 1 0 518.702 3.599 1 0 KHAFRO COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(N)=O)cc4)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084727206 562751380 /nfs/dbraw/zinc/75/13/80/562751380.db2.gz DYPIWIAOPDZEOO-UHFFFAOYSA-N 1 0 577.645 3.963 1 0 KHAFRO CCN(C)c1nc2ccc(C(=O)N(CC[NH+](C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1 ZINC000084728308 562751439 /nfs/dbraw/zinc/75/14/39/562751439.db2.gz UICZFGBRBAVNHU-IZZNHLLZSA-N 1 0 594.738 3.643 1 0 KHAFRO Cc1c(Cl)ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2ccc(C3=[NH+]CCN3)cc2)c1Cl ZINC000084731154 562751680 /nfs/dbraw/zinc/75/16/80/562751680.db2.gz MHMIACIGIQEXEH-UHFFFAOYSA-N 1 0 511.475 3.711 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(C=Cc4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCCNC(N)=[NH2+] ZINC000084732534 562751816 /nfs/dbraw/zinc/75/18/16/562751816.db2.gz LNIRSBRCUHOFKJ-BQYQJAHWSA-N 1 0 603.687 3.800 1 0 KHAFRO COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n2)ccc2c1CC[C@H]([NH+]1CCOCC1)CC2 ZINC000084739174 562751979 /nfs/dbraw/zinc/75/19/79/562751979.db2.gz LAJAFFLJAJMYLK-QZYSWDHYSA-N 1 0 539.080 3.550 1 0 KHAFRO CCOc1c(C(=O)NCC[NH+]2CCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21 ZINC000084739237 562751966 /nfs/dbraw/zinc/75/19/66/562751966.db2.gz SBRCZBFNAFQHCR-UHFFFAOYSA-N 1 0 500.599 3.600 1 0 KHAFRO COc1c(C(=O)NCC[NH+]2CCCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21 ZINC000084739239 562751963 /nfs/dbraw/zinc/75/19/63/562751963.db2.gz LHJAJTJCYQCMFN-UHFFFAOYSA-N 1 0 500.599 3.600 1 0 KHAFRO COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CC[NH2+]CCn4nc(C)cc4C)c3)nc2)cn1 ZINC000084739332 562751970 /nfs/dbraw/zinc/75/19/70/562751970.db2.gz MXGARGPTJWGPEB-UHFFFAOYSA-N 1 0 506.632 3.773 1 0 KHAFRO c1[nH]c2ccccc2c1Cc1nnc(Sc2ccnc(N3CCN(c4cc[nH+]cc4)CC3)n2)n1CCCN1CCOCC1 ZINC000084740756 562752113 /nfs/dbraw/zinc/75/21/13/562752113.db2.gz FPFIYSNVQHKLJE-UHFFFAOYSA-N 1 0 596.765 3.735 1 0 KHAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4F)ncc3CN(C)C2=O)c1 ZINC000084757237 562752385 /nfs/dbraw/zinc/75/23/85/562752385.db2.gz NTELLZOPFKQQHJ-UHFFFAOYSA-N 1 0 516.581 3.939 1 0 KHAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2COC/C=C/C[C@H](c3ccccc3)NC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1 ZINC000084757586 562752453 /nfs/dbraw/zinc/75/24/53/562752453.db2.gz XYJDOUBLYLOJJL-CALUMKGBSA-N 1 0 648.826 3.903 1 0 KHAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)c(OC)c4)ncc3CN(C)C2=O)c1 ZINC000084757944 562752471 /nfs/dbraw/zinc/75/24/71/562752471.db2.gz NOVRNVMLNCWCAO-UHFFFAOYSA-N 1 0 528.617 3.809 1 0 KHAFRO [NH2+]=C/C(=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000084758160 562752509 /nfs/dbraw/zinc/75/25/09/562752509.db2.gz POQURDKYGIGRLF-ZWTHDRSTSA-N 1 0 546.093 3.751 1 0 KHAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CC1 ZINC000084758161 562752502 /nfs/dbraw/zinc/75/25/02/562752502.db2.gz ZATUOMGGKDUPEZ-HQGOUPJPSA-N 1 0 546.093 3.609 1 0 KHAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(=O)N(CC)C3=O)C2)CC1 ZINC000084758406 562752609 /nfs/dbraw/zinc/75/26/09/562752609.db2.gz VETXGICRGOKEMQ-MHZLTWQESA-N 1 0 525.675 3.508 1 0 KHAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(=O)N(CC)C3=O)C2)CC1 ZINC000084758407 562752598 /nfs/dbraw/zinc/75/25/98/562752598.db2.gz VETXGICRGOKEMQ-HHHXNRCGSA-N 1 0 525.675 3.508 1 0 KHAFRO CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758440 562752619 /nfs/dbraw/zinc/75/26/19/562752619.db2.gz CEQPJZOXNWNNFM-SANMLTNESA-N 1 0 513.664 3.850 1 0 KHAFRO CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758441 562752613 /nfs/dbraw/zinc/75/26/13/562752613.db2.gz CEQPJZOXNWNNFM-AREMUKBSSA-N 1 0 513.664 3.850 1 0 KHAFRO CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758442 562752591 /nfs/dbraw/zinc/75/25/91/562752591.db2.gz WKYFWSUNMBAEBC-SANMLTNESA-N 1 0 513.664 3.850 1 0 KHAFRO CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758443 562752587 /nfs/dbraw/zinc/75/25/87/562752587.db2.gz WKYFWSUNMBAEBC-AREMUKBSSA-N 1 0 513.664 3.850 1 0 KHAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2COC/C=C/C[C@@H](c3ccccc3)NC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1 ZINC000084758523 562752689 /nfs/dbraw/zinc/75/26/89/562752689.db2.gz XYJDOUBLYLOJJL-YNYOQIOBSA-N 1 0 648.826 3.903 1 0 in-vitro KHAFRO COc1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)CC2)cc1OC ZINC000084758729 562752742 /nfs/dbraw/zinc/75/27/42/562752742.db2.gz COVONANKQIFGCD-BPDKCRNSSA-N 1 0 606.145 3.626 1 0 KHAFRO C[C@@H]1[NH2+][C@H]([C@@H]2CC[C@@H]3CCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@@]4(C)C[C@H](N)N[C@H](Cc5cccc(c5)C[C@H]3C2)C4)CC[C@H]1O ZINC000085487869 560075956 /nfs/dbraw/zinc/07/59/56/560075956.db2.gz KQDZPVBOTPGVID-UQUBCWLVSA-N 1 0 598.873 3.861 1 0 biogenic,in-vitro KHAFRO C[C@@H]1[NH2+][C@H](CC[C@H]2CCCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@@]3(C)C[C@@H](N)N[C@@H](Cc4cccc(c4)C2)C3)CC[C@H]1O ZINC000085487896 291818617 /nfs/dbraw/zinc/81/86/17/291818617.db2.gz CEXGAFPDPDATMZ-TVKKHNGISA-N 1 0 572.835 3.615 1 0 biogenic,in-vitro KHAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532213 560073022 /nfs/dbraw/zinc/07/30/22/560073022.db2.gz JZSYRUNYYMEWHY-ZOTFKIJJSA-N 1 0 577.718 3.845 1 0 biogenic,in-vitro KHAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1CO ZINC000085532276 560073052 /nfs/dbraw/zinc/07/30/52/560073052.db2.gz XSYVJTVKCOSADI-CJGHOLEISA-N 1 0 541.685 3.547 1 0 biogenic,in-vitro KHAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1CO ZINC000085532280 560072843 /nfs/dbraw/zinc/07/28/43/560072843.db2.gz DIAQZSBMWNRFPP-PUHGSMOYSA-N 1 0 555.712 3.937 1 0 biogenic,in-vitro KHAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC4CCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532381 560072781 /nfs/dbraw/zinc/07/27/81/560072781.db2.gz HQIZSTVEIMXYTQ-BQVNSTKJSA-N 1 0 565.707 3.823 1 0 biogenic,in-vitro KHAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532388 560072733 /nfs/dbraw/zinc/07/27/33/560072733.db2.gz GWEDJLQCAXNCNT-PDAHRKOFSA-N 1 0 553.696 3.679 1 0 biogenic,in-vitro KHAFRO COC1=C(Br)C[C@@]2(ON=C(C(=O)NCCCOc3c(Br)cc(CC[NH3+])cc3Br)[C@@H]2O)OC=C1Br ZINC000085553112 562753232 /nfs/dbraw/zinc/75/32/32/562753232.db2.gz XVHHFAJHWSIGJS-FPOVZHCZSA-N 1 0 733.046 3.951 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562651 562753285 /nfs/dbraw/zinc/75/32/85/562753285.db2.gz LXTUIXZKXFFKAT-YTCPBCGMSA-N 1 0 757.861 3.551 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562711 562753296 /nfs/dbraw/zinc/75/32/96/562753296.db2.gz SBXVXUCQXQAMRZ-XFCANUNOSA-N 1 0 739.924 3.685 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562717 562753284 /nfs/dbraw/zinc/75/32/84/562753284.db2.gz YIFNBZPGRUKKJO-XFCANUNOSA-N 1 0 739.924 3.685 1 0 KHAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562723 562753305 /nfs/dbraw/zinc/75/33/05/562753305.db2.gz VOSZMHUDIZCKMU-OIFRRMEBSA-N 1 0 745.953 3.747 1 0 KHAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO4 ZINC000085567480 291807854 /nfs/dbraw/zinc/80/78/54/291807854.db2.gz WODYZPLDZAGYPO-PFJBIBAASA-N 1 0 594.661 3.508 1 0 biogenic,in-vitro KHAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567496 291807842 /nfs/dbraw/zinc/80/78/42/291807842.db2.gz AIWDKMGNQIBXMW-VLAZMQHMSA-N 1 0 550.608 3.755 1 0 biogenic,in-vitro KHAFRO CCN[C@H](C[NH2+]C)Oc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567534 560070373 /nfs/dbraw/zinc/07/03/73/560070373.db2.gz AVZFSIYXSLFUBD-JWNPYGNMSA-N 1 0 566.651 3.633 1 0 biogenic,in-vitro KHAFRO CC[NH2+]COc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO3 ZINC000085567552 291807847 /nfs/dbraw/zinc/80/78/47/291807847.db2.gz JOCAGULJTAEJOU-CHJDUVSTSA-N 1 0 567.635 3.797 1 0 biogenic,in-vitro KHAFRO CCN[C@H](C[NH2+]C)Oc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567581 560070378 /nfs/dbraw/zinc/07/03/78/560070378.db2.gz ZUGAHVSPNWBGOQ-TVHSXNCYSA-N 1 0 550.652 3.927 1 0 biogenic,in-vitro KHAFRO C[NH2+]COc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567597 291811252 /nfs/dbraw/zinc/81/12/52/291811252.db2.gz OHBKPKTYXGPFAK-PPHZAIPVSA-N 1 0 509.555 3.655 1 0 biogenic,in-vitro KHAFRO C[NH2+]CO[C@@H]1Cc2c(cc(OCCO)c3c2[C@@H](CCn2ccnc2)Cc2cc(O)ccc2-3)O[C@@H]1c1ccc(O)c(OC)c1 ZINC000085568118 560070233 /nfs/dbraw/zinc/07/02/33/560070233.db2.gz COTZESUAUDVANO-NQOPSTMNSA-O 1 0 588.681 3.728 1 0 biogenic,in-vitro KHAFRO C[NH2+]Cc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC)cc3[C@H]1O)CO2 ZINC000085592978 560065488 /nfs/dbraw/zinc/06/54/88/560065488.db2.gz ADNRFVKTFHXPFP-RQDZCNCFSA-N 1 0 507.583 3.504 1 0 biogenic,in-vitro KHAFRO C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@H](c2cc(N)ncc2CC(=O)N2CC(C[NH2+]C)C2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594620 291799063 /nfs/dbraw/zinc/79/90/63/291799063.db2.gz ODXDBWORNSRPQD-MNCPPQEQSA-N 1 0 598.700 3.676 1 0 biogenic,in-vitro KHAFRO C[NH2+]CC1CCC(Oc2cc(CC[C@@H](C[C@@H](O)CCc3cc(OC)c(O)c(OC)c3)OCO)ccc2O)CC1 ZINC000085595692 291810572 /nfs/dbraw/zinc/81/05/72/291810572.db2.gz KYQMVHITXDOZFP-BLPJSXLPSA-N 1 0 547.689 3.923 1 0 biogenic,in-vitro KHAFRO C[NH2+]CC1CCC(Oc2cc(CC[C@H](O)C[C@@H](O)CCc3cc(OC)c(O)c(OC)c3)ccc2O)CC1 ZINC000085595731 291810574 /nfs/dbraw/zinc/81/05/74/291810574.db2.gz YZWKUPGMGNMOPD-CNHJLYCKSA-N 1 0 517.663 3.949 1 0 biogenic,in-vitro KHAFRO COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4[NH2+][C@@H](C)C[C@@H](CO)[C@@H]4Cc4ccnc(N)c4)c3)O2)ccc1O ZINC000085596596 565155908 /nfs/dbraw/zinc/15/59/08/565155908.db2.gz VIGASCNGBAZEKT-FAWUASIASA-N 1 0 637.774 3.903 1 0 biogenic,in-vitro KHAFRO CC[NH2+][C@H](CCCOC)COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O ZINC000085596631 560063292 /nfs/dbraw/zinc/06/32/92/560063292.db2.gz MTSITLILRIACRZ-KZBCDYBFSA-N 1 0 577.715 3.721 1 0 biogenic,in-vitro KHAFRO COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC[NH2+]C[C@H](C)O)c3)O2)cc(OC2CCCC2)c1O ZINC000085596678 291814950 /nfs/dbraw/zinc/81/49/50/291814950.db2.gz WLNVUVFZXQFJHZ-RCGJGYDGSA-N 1 0 531.646 3.948 1 0 biogenic,in-vitro KHAFRO CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@@H](CCO)CO3)CC[NH2+]CC1 ZINC000085596721 565155839 /nfs/dbraw/zinc/15/58/39/565155839.db2.gz YGZNGBPTHJQOCJ-PTZHJCOKSA-N 1 0 672.860 3.862 1 0 biogenic,in-vitro KHAFRO COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)CC[NH2+]CC2)ccc1O ZINC000085596743 565156043 /nfs/dbraw/zinc/15/60/43/565156043.db2.gz XSNNGIFKVPGBRY-BAWINHPUSA-N 1 0 660.849 3.935 1 0 biogenic,in-vitro KHAFRO COc1cc(CC2([C@@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(=O)[C@@]34CCCC[C@@H]3CCC(=O)N4)CC[NH2+]CC2)ccc1O ZINC000085596762 291813448 /nfs/dbraw/zinc/81/34/48/291813448.db2.gz CHEGCFALHCLXJF-CAGGANBQSA-N 1 0 602.769 3.937 1 0 biogenic,in-vitro KHAFRO CCCCC[C@H](C[C@@H](OC(=O)CNC)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1)OC(C)=O ZINC000085596824 291806400 /nfs/dbraw/zinc/80/64/00/291806400.db2.gz GFIWDVRYRNKPFF-RCZVLFRGSA-N 1 0 504.668 3.663 1 0 biogenic,in-vitro KHAFRO COCCCC(=O)O[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1 ZINC000085596828 291812782 /nfs/dbraw/zinc/81/27/82/291812782.db2.gz DBPJTWJXVPHJIA-VAPDBKPJSA-N 1 0 523.667 3.524 1 0 biogenic,in-vitro KHAFRO CNC1=[NH+]CC[C@H](n2ccnc2)C[C@@H](CCCC(O)=CC(=O)CCc2ccc(O)c(OC3CCCC3)c2)N1 ZINC000085626966 560069042 /nfs/dbraw/zinc/06/90/42/560069042.db2.gz YYNNSJBHBLMFKQ-PKTZIBPZSA-O 1 0 524.686 3.529 1 0 biogenic,in-vitro KHAFRO COc1cc(CCC(O)=CC(=O)CCC[C@H](CCn2ccnc2)NC(=[NH2+])NC2CCCCC2)ccc1O ZINC000085627046 560068948 /nfs/dbraw/zinc/06/89/48/560068948.db2.gz PBVWBJYFIVGGJW-HSZRJFAPSA-O 1 0 512.675 3.553 1 0 biogenic,in-vitro KHAFRO COc1cc(CCC(=O)[C@@H]2CC[C@@H](C[C@H](CCCO)[C@@H]3C[NH2+][C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]2O)ccc1O ZINC000085631303 560067898 /nfs/dbraw/zinc/06/78/98/560067898.db2.gz ZOPSYFOHTWDLKB-FGUPUUQRSA-N 1 0 515.691 3.806 1 0 biogenic,in-vitro KHAFRO C[NH2+]Cc1cc(O)cc([C@@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2)c1 ZINC000085632229 565165956 /nfs/dbraw/zinc/16/59/56/565165956.db2.gz SPTRMBGGKBNWGW-LPJNBTEPSA-N 1 0 660.788 3.700 1 0 biogenic,in-vitro KHAFRO C[NH2+]Cc1cc(O)cc([C@@](CO)(Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2)c1 ZINC000085632232 291811802 /nfs/dbraw/zinc/81/18/02/291811802.db2.gz UTJAHXPDERKGRM-MTCZNSJKSA-N 1 0 617.719 3.548 1 0 biogenic,in-vitro KHAFRO C[NH2+]Cc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)CCc2ccc(O)c(OC)c2)c1 ZINC000085632408 560067635 /nfs/dbraw/zinc/06/76/35/560067635.db2.gz KVBLHLYCULWWIK-LADGPHEKSA-N 1 0 509.599 3.819 1 0 biogenic,in-vitro KHAFRO COC1=C(Br)C[C@]2(ON=C(C(=O)NCCCOc3c(Br)cc(CC[NH3+])cc3Br)[C@H]2O)OC=C1Br ZINC000085810839 562753378 /nfs/dbraw/zinc/75/33/78/562753378.db2.gz XVHHFAJHWSIGJS-TZIWHRDSSA-N 1 0 733.046 3.951 1 0 KHAFRO COc1cccc(C[C@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@H]2[NH+]2CCCC2)c1 ZINC000088260812 562753542 /nfs/dbraw/zinc/75/35/42/562753542.db2.gz YOOGANDDVDXIHK-RRPNLBNLSA-N 1 0 524.687 3.523 1 0 KHAFRO COc1cccc(C[C@@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@H]2[NH+]2CCCC2)c1 ZINC000088260813 562753538 /nfs/dbraw/zinc/75/35/38/562753538.db2.gz YOOGANDDVDXIHK-KAYWLYCHSA-N 1 0 524.687 3.523 1 0 KHAFRO COc1cccc(C[C@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@@H]2[NH+]2CCCC2)c1 ZINC000088260814 562753534 /nfs/dbraw/zinc/75/35/34/562753534.db2.gz YOOGANDDVDXIHK-SVBPBHIXSA-N 1 0 524.687 3.523 1 0 KHAFRO COc1cccc(C[C@@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@@H]2[NH+]2CCCC2)c1 ZINC000088260815 562753527 /nfs/dbraw/zinc/75/35/27/562753527.db2.gz YOOGANDDVDXIHK-SXOMAYOGSA-N 1 0 524.687 3.523 1 0 KHAFRO COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1OCCN1CCOCC1 ZINC000095221839 562753722 /nfs/dbraw/zinc/75/37/22/562753722.db2.gz RMCWQUJIMHDNIZ-QPVYNBJUSA-N 1 0 672.223 3.974 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)c4ccc(O)cc4)c3)nn2C[C@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095535722 562753774 /nfs/dbraw/zinc/75/37/74/562753774.db2.gz AFLBBHCOTSQFQV-HHHXNRCGSA-N 1 0 764.893 3.562 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)c4ccc(O)cc4)c3)nn2C[C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095535723 562753773 /nfs/dbraw/zinc/75/37/73/562753773.db2.gz AFLBBHCOTSQFQV-MHZLTWQESA-N 1 0 764.893 3.562 1 0 KHAFRO Cc1cc[nH+]c(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C(=O)[O-])cc2NC(=O)COCCOCCOCC[NH3+])c1 ZINC000095536842 562754238 /nfs/dbraw/zinc/75/42/38/562754238.db2.gz AIBKMZWFGWJRQW-LJAQVGFWSA-N 1 0 755.813 3.601 1 0 KHAFRO O[C@H](CNCC[NH2+]C[C@@H](O)COC(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2)COC(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000095536913 562754254 /nfs/dbraw/zinc/75/42/54/562754254.db2.gz IOFZMAWCMMWRRA-ROJLCIKYSA-N 1 0 772.848 3.585 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccncc4Br)C3)C(=O)O[C@@]21C ZINC000095536970 562754327 /nfs/dbraw/zinc/75/43/27/562754327.db2.gz OITZQVUFQKNFJY-YAIIAFOHSA-N 1 0 823.823 3.578 1 0 KHAFRO CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(N)=O ZINC000095538004 562754461 /nfs/dbraw/zinc/75/44/61/562754461.db2.gz YFSSMBIPKDBQSL-CLZHSDMDSA-N 1 0 762.956 3.521 1 0 in-vivo KHAFRO CN(C)c1ccc(C(=O)NCCSc2cc(-c3nn(C[C@H](O)C[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)cc1 ZINC000095538398 562754757 /nfs/dbraw/zinc/75/47/57/562754757.db2.gz RTRNCQYPYRGSGS-GDLZYMKVSA-N 1 0 791.963 3.922 1 0 KHAFRO CN(C)c1ccc(C(=O)NCCSc2cc(-c3nn(C[C@@H](O)C[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)cc1 ZINC000095538399 562754759 /nfs/dbraw/zinc/75/47/59/562754759.db2.gz RTRNCQYPYRGSGS-LJAQVGFWSA-N 1 0 791.963 3.922 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)Cc4ccccc4)c3)nn2C[C@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095538506 562754880 /nfs/dbraw/zinc/75/48/80/562754880.db2.gz JRPYINKBZWYPGK-MUUNZHRXSA-N 1 0 762.921 3.785 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)Cc4ccccc4)c3)nn2C[C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095538507 562754863 /nfs/dbraw/zinc/75/48/63/562754863.db2.gz JRPYINKBZWYPGK-NDEPHWFRSA-N 1 0 762.921 3.785 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)c4ccccc4)c3)nn2C[C@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095539323 562754954 /nfs/dbraw/zinc/75/49/54/562754954.db2.gz SIPHIOKFRZKCMU-HHHXNRCGSA-N 1 0 748.894 3.856 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)c4ccccc4)c3)nn2C[C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095539324 562754986 /nfs/dbraw/zinc/75/49/86/562754986.db2.gz SIPHIOKFRZKCMU-MHZLTWQESA-N 1 0 748.894 3.856 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)c4ccc(F)cc4)c3)nn2C[C@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095539329 562754991 /nfs/dbraw/zinc/75/49/91/562754991.db2.gz XZGWHUZRUSFALV-HHHXNRCGSA-N 1 0 766.884 3.996 1 0 KHAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)c4ccc(F)cc4)c3)nn2C[C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095539330 562755005 /nfs/dbraw/zinc/75/50/05/562755005.db2.gz XZGWHUZRUSFALV-MHZLTWQESA-N 1 0 766.884 3.996 1 0 KHAFRO C=C(Br)C(=O)Nc1ccc2[nH]c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(N)=[NH2+])n(C)c5)n(C)c4)n(C)c3)cc2c1 ZINC000095539826 562755301 /nfs/dbraw/zinc/75/53/01/562755301.db2.gz KAFQPRMWGVEVOX-UHFFFAOYSA-N 1 0 744.611 3.843 1 0 KHAFRO C=C(Br)C(=O)Nc1ccc2c(cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(N)=[NH2+])n(C)c5)n(C)c4)n(C)c3)n2C)c1 ZINC000095540173 562755561 /nfs/dbraw/zinc/75/55/61/562755561.db2.gz MXKLUBGVESQRRJ-UHFFFAOYSA-N 1 0 758.638 3.854 1 0 KHAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2ccc3ccn(S(C)(=O)=O)c3c2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000095542183 562756549 /nfs/dbraw/zinc/75/65/49/562756549.db2.gz IVOWVXLKWZXELP-OUJNJVGLSA-N 1 0 745.924 3.828 1 0 KHAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccc3ccccc3n2)C(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000095543231 562757139 /nfs/dbraw/zinc/75/71/39/562757139.db2.gz PRDAIONOCJACSU-HLMQIWOKSA-N 1 0 750.941 3.708 1 0 KHAFRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000095543708 562757419 /nfs/dbraw/zinc/75/74/19/562757419.db2.gz FSKFKMCMKZGDFB-DHETVXMMSA-N 1 0 603.211 3.819 1 0 KHAFRO CC(C)[C@H](NC(=O)c1ccc(N(CC(=O)NCc2ccccc2)C(=O)CCCCNC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095543874 562757528 /nfs/dbraw/zinc/75/75/28/562757528.db2.gz RGGRCNOWLJRJHQ-VQIIKMDRSA-N 1 0 760.940 3.788 1 0 KHAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000095544655 562757752 /nfs/dbraw/zinc/75/77/52/562757752.db2.gz LIPSORCRFXBDBF-ITHRCTNCSA-N 1 0 759.949 3.625 1 0 KHAFRO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCCN1CCOCC1)C(C)C ZINC000095546488 562758478 /nfs/dbraw/zinc/75/84/78/562758478.db2.gz ODNJQWHSAUCZAN-LOFFRUMASA-N 1 0 759.945 3.836 1 0 KHAFRO C[NH2+]CCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)[C@H](OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000095546893 562758569 /nfs/dbraw/zinc/75/85/69/562758569.db2.gz XVMBHVWVGGWRPY-VCOUNFBDSA-N 1 0 747.073 3.862 1 0 KHAFRO C[NH2+]CCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)[C@@H](OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000095546894 562758545 /nfs/dbraw/zinc/75/85/45/562758545.db2.gz XVMBHVWVGGWRPY-CBQOVEMMSA-N 1 0 747.073 3.862 1 0 KHAFRO CCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1 ZINC000095547376 562758719 /nfs/dbraw/zinc/75/87/19/562758719.db2.gz KUBFMPDEEMIMDT-QOEXFKEZSA-N 1 0 758.936 3.971 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)CCC(=O)C[C@H]2[C@@H]1OC(=O)N2CCCCn1cnc(-c2cccnc2)c1 ZINC000095547485 562758748 /nfs/dbraw/zinc/75/87/48/562758748.db2.gz WJLUMSFZZXALLZ-XPEPLJJZSA-N 1 0 755.910 3.801 1 0 KHAFRO C[NH+](C)CCCNC(=O)Cn1cc(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000095547768 562758868 /nfs/dbraw/zinc/75/88/68/562758868.db2.gz WGJQSCOYVYETDZ-UHFFFAOYSA-N 1 0 768.298 3.763 1 0 KHAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](S(=O)(=O)Cc3ccc(F)cc3)C[NH2+]2)C1=O ZINC000095548791 562759509 /nfs/dbraw/zinc/75/95/09/562759509.db2.gz JHSNGLVIKDQTQV-CKSNJWPKSA-N 1 0 770.915 3.992 1 0 KHAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](S(=O)(=O)Cc3ccc(F)cc3)C[NH2+]2)C1=O ZINC000095548792 562759499 /nfs/dbraw/zinc/75/94/99/562759499.db2.gz JHSNGLVIKDQTQV-CCTGQMBJSA-N 1 0 770.915 3.992 1 0 KHAFRO CC[NH+](CC)CC(=O)NCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 ZINC000095552371 562760624 /nfs/dbraw/zinc/76/06/24/562760624.db2.gz NEXAEPWOAHFWDU-UHFFFAOYSA-N 1 0 524.055 3.513 1 0 KHAFRO CONC(=O)N(Cc1ccsc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)cc(Cl)[n+]([O-])c2Cl)CC1 ZINC000095552808 562760772 /nfs/dbraw/zinc/76/07/72/562760772.db2.gz JYHDXEQCKKUCHU-MRXNPFEDSA-N 1 0 544.505 3.743 1 0 KHAFRO CONC(=O)N(Cc1ccsc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1 ZINC000095553982 562761127 /nfs/dbraw/zinc/76/11/27/562761127.db2.gz UKQKNLSWCMOIOV-HXUWFJFHSA-N 1 0 558.749 3.644 1 0 KHAFRO CCc1nc2ccccc2n1-c1nc2cc(C[N@@H+]3CCN(C4COC4)CC3(C)C)sc2c(N2CCOCC2)n1 ZINC000095555694 562761618 /nfs/dbraw/zinc/76/16/18/562761618.db2.gz SHTICQDOCLQFOS-UHFFFAOYSA-N 1 0 547.729 3.724 1 0 KHAFRO COc1cc(/C=C/C(=O)NCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCO[N+](=O)[O-] ZINC000095556513 562761748 /nfs/dbraw/zinc/76/17/48/562761748.db2.gz PSMMLTDOFSEEAG-ACCUITESSA-N 1 0 506.559 3.951 1 0 KHAFRO COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095556956 562761898 /nfs/dbraw/zinc/76/18/98/562761898.db2.gz AYYFKCHPWARGSD-CCDWMCETSA-N 1 0 513.654 3.880 1 0 KHAFRO CC(=O)NCc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000095558066 562762324 /nfs/dbraw/zinc/76/23/24/562762324.db2.gz IEUIJGWCRLTETI-MGTGDHFRSA-N 1 0 763.936 3.985 1 0 KHAFRO CC(=O)NCc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000095558067 562762315 /nfs/dbraw/zinc/76/23/15/562762315.db2.gz IEUIJGWCRLTETI-QAQBJLFZSA-N 1 0 763.936 3.985 1 0 KHAFRO Cc1c(Cl)ccc(OC2CC[NH+](C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl ZINC000095558653 562762496 /nfs/dbraw/zinc/76/24/96/562762496.db2.gz DLONTNINHYMHFB-CYBMUJFWSA-N 1 0 522.351 3.643 1 0 KHAFRO [NH3+][C@@H](CC(=O)NC1(c2nc(-c3ccccc3)cs2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F ZINC000095560239 562762974 /nfs/dbraw/zinc/76/29/74/562762974.db2.gz MIJUFTJHNXQCQF-QGZVFWFLSA-N 1 0 523.602 3.708 1 0 KHAFRO Cc1cc(CN2CCN(c3c4[nH]c(-c5cccc(N6CC[NH+](C)CC6)c5)nc4ncc3Cl)CC2)no1 ZINC000095560727 562763136 /nfs/dbraw/zinc/76/31/36/562763136.db2.gz ROFVRNNNZDBODT-UHFFFAOYSA-N 1 0 507.042 3.649 1 0 KHAFRO Cc1sc(C2(NC(=O)C[C@H]([NH3+])Cc3ccccc3F)CCS(=O)(=O)CC2)nc1-c1ccccc1 ZINC000095561270 562763346 /nfs/dbraw/zinc/76/33/46/562763346.db2.gz FKSXZNKCPISBDB-HXUWFJFHSA-N 1 0 501.649 3.738 1 0 KHAFRO Cc1ncc(-c2cccc(C3(NC(=O)C[C@H]([NH3+])Cc4ccccc4F)CCS(=O)(=O)CC3)c2)s1 ZINC000095561991 562763530 /nfs/dbraw/zinc/76/35/30/562763530.db2.gz VQFZOFFVLWCBRG-OAQYLSRUSA-N 1 0 501.649 3.738 1 0 KHAFRO [NH3+][C@@H](CC(=O)NC1(c2cccc(-c3cncs3)c2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F ZINC000095562545 562763727 /nfs/dbraw/zinc/76/37/27/562763727.db2.gz LZRNDAKXSHXRJN-GOSISDBHSA-N 1 0 523.602 3.708 1 0 KHAFRO O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2c(F)cccc12 ZINC000095562567 562763757 /nfs/dbraw/zinc/76/37/57/562763757.db2.gz SUYKBMCECCINPJ-CQSZACIVSA-N 1 0 508.377 3.608 1 0 KHAFRO COC(=O)N[C@@H](C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(C[NH3+])cc1)C(c1ccccc1)c1ccccc1 ZINC000095562616 562763760 /nfs/dbraw/zinc/76/37/60/562763760.db2.gz MIZXPWSGOFJDNM-QLWXXVCSSA-N 1 0 638.831 3.996 1 0 KHAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CC[NH+](C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1 ZINC000095562850 562763812 /nfs/dbraw/zinc/76/38/12/562763812.db2.gz BAVPIUIORBFWSR-UHFFFAOYSA-N 1 0 513.646 3.666 1 0 KHAFRO COc1ccccc1-c1csc(C2(NC(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)CCS(=O)(=O)CC2)n1 ZINC000095563361 562763969 /nfs/dbraw/zinc/76/39/69/562763969.db2.gz JATBVVRDZQODAG-MRXNPFEDSA-N 1 0 553.628 3.716 1 0 KHAFRO [NH3+][C@@H](CC(=O)NC1(c2nc(-c3ccc(F)cc3)cs2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000095563963 562764094 /nfs/dbraw/zinc/76/40/94/562764094.db2.gz DINSMNCBXHZOQU-LJQANCHMSA-N 1 0 505.612 3.569 1 0 KHAFRO O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(F)ccc12 ZINC000095563976 562764147 /nfs/dbraw/zinc/76/41/47/562764147.db2.gz DREBLEJJYUKNLT-OAHLLOKOSA-N 1 0 508.377 3.608 1 0 KHAFRO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6ccco6)nn54)c3n2)CC1 ZINC000095564268 562764263 /nfs/dbraw/zinc/76/42/63/562764263.db2.gz GQMMVZYSASKWKX-UHFFFAOYSA-N 1 0 509.496 3.710 1 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566295 562764876 /nfs/dbraw/zinc/76/48/76/562764876.db2.gz GQBJBCNAEKUCKM-SWYRRKHMSA-N 1 0 502.615 3.686 1 0 KHAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095566350 562764883 /nfs/dbraw/zinc/76/48/83/562764883.db2.gz ICLVAIRKVCJOPP-ZGPNTQEDSA-N 1 0 625.744 3.506 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095566447 562765000 /nfs/dbraw/zinc/76/50/00/562765000.db2.gz SREUWAAPQJIJAQ-SYZUXVNWSA-N 1 0 559.711 3.939 1 0 KHAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095566631 562765129 /nfs/dbraw/zinc/76/51/29/562765129.db2.gz GYFFHKZTXAXEFC-INEJIFKHSA-N 1 0 609.745 3.806 1 0 KHAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566888 562765341 /nfs/dbraw/zinc/76/53/41/562765341.db2.gz KFOZXKFTLXFJIR-NOMHHCBYSA-N 1 0 532.641 3.695 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567077 562765498 /nfs/dbraw/zinc/76/54/98/562765498.db2.gz GQBJBCNAEKUCKM-WOVHNISZSA-N 1 0 502.615 3.686 1 0 KHAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095567080 562765469 /nfs/dbraw/zinc/76/54/69/562765469.db2.gz KFOZXKFTLXFJIR-FYQCMVGJSA-N 1 0 532.641 3.695 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567082 562765494 /nfs/dbraw/zinc/76/54/94/562765494.db2.gz GQBJBCNAEKUCKM-ISJBWFOZSA-N 1 0 502.615 3.686 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567505 562765854 /nfs/dbraw/zinc/76/58/54/562765854.db2.gz GQBJBCNAEKUCKM-UZINWLIJSA-N 1 0 502.615 3.686 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095567727 562766022 /nfs/dbraw/zinc/76/60/22/562766022.db2.gz GTLJTKVBFXFVGL-BVXAZASISA-N 1 0 637.741 3.916 1 0 KHAFRO COc1ccc(C[N@H+](C)C[C@@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095567755 562766003 /nfs/dbraw/zinc/76/60/03/562766003.db2.gz KFOZXKFTLXFJIR-BUEREQSYSA-N 1 0 532.641 3.695 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095567999 562766225 /nfs/dbraw/zinc/76/62/25/562766225.db2.gz GTLJTKVBFXFVGL-WDCWYOMISA-N 1 0 637.741 3.916 1 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095568111 562766311 /nfs/dbraw/zinc/76/63/11/562766311.db2.gz GQBJBCNAEKUCKM-YZIHRLCOSA-N 1 0 502.615 3.686 1 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095568417 562766639 /nfs/dbraw/zinc/76/66/39/562766639.db2.gz GTLJTKVBFXFVGL-IKBQMQIHSA-N 1 0 637.741 3.916 1 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095569056 562767119 /nfs/dbraw/zinc/76/71/19/562767119.db2.gz GTLJTKVBFXFVGL-CEFNRUSXSA-N 1 0 637.741 3.916 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CC2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095569095 562767159 /nfs/dbraw/zinc/76/71/59/562767159.db2.gz UPEDAUWOASCVFT-YYULODDRSA-N 1 0 524.618 3.621 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(C)(=O)=O)cc2CC1=O ZINC000095569110 562767169 /nfs/dbraw/zinc/76/71/69/562767169.db2.gz VHEBRLFBVVIGEB-OBWXTZQISA-N 1 0 558.528 3.646 1 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095569530 562767520 /nfs/dbraw/zinc/76/75/20/562767520.db2.gz GQBJBCNAEKUCKM-YPCDYVTLSA-N 1 0 502.615 3.686 1 0 KHAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095569566 562767565 /nfs/dbraw/zinc/76/75/65/562767565.db2.gz GYFFHKZTXAXEFC-PKIAKLFDSA-N 1 0 609.745 3.806 1 0 KHAFRO COc1ccc(C[N@H+](C)C[C@@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095569617 562767541 /nfs/dbraw/zinc/76/75/41/562767541.db2.gz KFOZXKFTLXFJIR-GNMOFYLKSA-N 1 0 532.641 3.695 1 0 KHAFRO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccn3)cc2OC[C@@H](C)[N@H+](Cc2ccccn2)C[C@H]1C ZINC000095570094 562767903 /nfs/dbraw/zinc/76/79/03/562767903.db2.gz ZBJJNPNHABUELL-LGVUCKNBSA-N 1 0 517.630 3.735 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095570579 562768308 /nfs/dbraw/zinc/76/83/08/562768308.db2.gz SREUWAAPQJIJAQ-KERYWQKISA-N 1 0 559.711 3.939 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095570668 562768357 /nfs/dbraw/zinc/76/83/57/562768357.db2.gz GTLJTKVBFXFVGL-INEJIFKHSA-N 1 0 637.741 3.916 1 0 KHAFRO CN1C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2OC[C@H]2O[C@H](CC(=O)NCC[NH+]3CCCC3)CC[C@H]21 ZINC000095570999 562768653 /nfs/dbraw/zinc/76/86/53/562768653.db2.gz AZIMPOWWAMQVKT-GGBSJPMNSA-N 1 0 588.627 3.940 1 0 KHAFRO CC(=O)N[C@@H](Cc1ccc2c(c1)OCCO2)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095571826 562769237 /nfs/dbraw/zinc/76/92/37/562769237.db2.gz WDKYDCHLWJMLIC-CCDWMCETSA-N 1 0 523.674 3.886 1 0 KHAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc2c(CC)cn3c2c(c1)N(C)S(=O)(=O)C(C)(C)C3)C(=O)NCC(C)C ZINC000095572172 562769361 /nfs/dbraw/zinc/76/93/61/562769361.db2.gz WPEFUXWXSZSMFS-NAYUSWPISA-N 1 0 653.890 3.994 1 0 KHAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C[NH+](C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572187 562769349 /nfs/dbraw/zinc/76/93/49/562769349.db2.gz DTJDNERLLFSNHE-INIZCTEOSA-N 1 0 559.630 3.809 1 0 KHAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C[NH+](C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572188 562769351 /nfs/dbraw/zinc/76/93/51/562769351.db2.gz DTJDNERLLFSNHE-MRXNPFEDSA-N 1 0 559.630 3.809 1 0 KHAFRO CO[C@H](C)C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095572350 562769396 /nfs/dbraw/zinc/76/93/96/562769396.db2.gz OMMVFRZSBCRMQD-LJYZBVLISA-N 1 0 553.700 3.858 1 0 in-vitro KHAFRO C[NH+](C)CCNc1nc2c([nH]1)c(I)c(I)c(I)c2I ZINC000095572613 562769465 /nfs/dbraw/zinc/76/94/65/562769465.db2.gz DNLDQPLIENTICN-UHFFFAOYSA-N 1 0 707.861 3.955 1 0 KHAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N)nc2)nn1 ZINC000095572720 562769472 /nfs/dbraw/zinc/76/94/72/562769472.db2.gz ZLMYOQZUWFEOHX-UHFFFAOYSA-N 1 0 551.577 3.633 1 0 KHAFRO C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]CC4CC4)c4ccc(C(F)(F)F)c(F)c4)CC3)c21 ZINC000095573296 562769627 /nfs/dbraw/zinc/76/96/27/562769627.db2.gz NRRILVLCPJUGCY-FQELHTAISA-N 1 0 521.559 3.607 1 0 KHAFRO COc1cc(C2CC[NH+](CCO)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000095574290 562769919 /nfs/dbraw/zinc/76/99/19/562769919.db2.gz SYZCXHIZVIOJHP-UHFFFAOYSA-N 1 0 550.685 3.716 1 0 KHAFRO C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)C)c4ccc(C(F)(F)F)c(F)c4)CC3)c21 ZINC000095574513 562770015 /nfs/dbraw/zinc/77/00/15/562770015.db2.gz OSDYJCFGRBVWAT-WRWLIDTKSA-N 1 0 523.575 3.996 1 0 KHAFRO C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH+]4CCC(F)CC4)c4ccc(Cl)cc4)CC3)c21 ZINC000095575198 562770260 /nfs/dbraw/zinc/77/02/60/562770260.db2.gz DMFQEDIRMMWZOK-ZPMCFJSWSA-N 1 0 502.034 3.537 1 0 KHAFRO CO[C@@H](C)[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCC(C)C ZINC000095575222 562770223 /nfs/dbraw/zinc/77/02/23/562770223.db2.gz NLGTXVWPBSJCDY-XXTIZMNHSA-N 1 0 679.884 3.680 1 0 KHAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc2c(CC)cn3c2c(c1)N(C)S(=O)(=O)C1(CC1)C3)C(=O)NC(C)C ZINC000095575678 562770394 /nfs/dbraw/zinc/77/03/94/562770394.db2.gz RMFNZPLDSHNPGA-NSGJQZOKSA-N 1 0 637.847 3.501 1 0 KHAFRO CC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095576880 562770771 /nfs/dbraw/zinc/77/07/71/562770771.db2.gz KHOYMTLYNVQONU-KMDXXIMOSA-N 1 0 509.647 3.843 1 0 KHAFRO Cn1c(NCC[NH3+])nc2c1c(Br)c(Br)c(Br)c2Br ZINC000095577333 562770944 /nfs/dbraw/zinc/77/09/44/562770944.db2.gz DVPOGZSIQGTDSK-UHFFFAOYSA-N 1 0 505.834 3.994 1 0 KHAFRO COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CC[NH+](C[C@H](O)CO)CC4)cc3OC)nn21 ZINC000095577842 562771105 /nfs/dbraw/zinc/77/11/05/562771105.db2.gz KXWHALCUEMIJMC-QFIPXVFZSA-N 1 0 503.603 3.690 1 0 KHAFRO CC(C)c1ccc(NC(=O)c2cccc(-c3nn([C@@H]4CCCN(C(=O)/C=C/CN5CCN(CC[NH3+])CC5)C4)c4ncnc(N)c34)c2)cc1 ZINC000095578582 562771327 /nfs/dbraw/zinc/77/13/27/562771327.db2.gz KFLRDJSBPGBGOL-JLRXKOEZSA-N 1 0 650.832 3.747 1 0 KHAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3ncnn3c2)nn1 ZINC000095578762 562771342 /nfs/dbraw/zinc/77/13/42/562771342.db2.gz MIARGORLLRWINC-UHFFFAOYSA-N 1 0 576.587 3.699 1 0 KHAFRO COc1cc(C2CC[NH+](CC(N)=O)CC2)ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000095578983 562771442 /nfs/dbraw/zinc/77/14/42/562771442.db2.gz INVMLEPLZRDFOO-UHFFFAOYSA-N 1 0 577.711 3.517 1 0 KHAFRO COc1ccc(-c2ccc3cnc(Nc4ccc(C5CC[NH+](CC(N)=O)CC5)cc4OC)nn32)c(OC)c1 ZINC000095579553 562771563 /nfs/dbraw/zinc/77/15/63/562771563.db2.gz QSUYIPABXMWKIL-UHFFFAOYSA-N 1 0 516.602 3.830 1 0 KHAFRO COc1cc(C2CC[NH+](CC(N)=O)CC2)ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000095580662 562771875 /nfs/dbraw/zinc/77/18/75/562771875.db2.gz FWFBPWPSNFCBOI-UHFFFAOYSA-N 1 0 598.129 3.862 1 0 KHAFRO Cc1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)NCc2cc(Oc3cccc(F)c3)ccn2)nn1-c1ccc(Cl)cc1 ZINC000095580687 562771972 /nfs/dbraw/zinc/77/19/72/562771972.db2.gz MXTWRKHZUFCQBT-VMPREFPWSA-N 1 0 707.211 3.764 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095581352 562772154 /nfs/dbraw/zinc/77/21/54/562772154.db2.gz MYKHWCSQJCGRBN-MMTDUKOKSA-N 1 0 785.774 3.890 1 0 KHAFRO Cc1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)NCc2cc(Oc3ccccc3C)ccn2)nn1-c1ccc(Cl)cc1 ZINC000095585256 562773562 /nfs/dbraw/zinc/77/35/62/562773562.db2.gz ZMZKVCNYLQEQNG-VMPREFPWSA-N 1 0 703.248 3.934 1 0 KHAFRO [NH3+]CC(=O)NCCOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095585316 562773580 /nfs/dbraw/zinc/77/35/80/562773580.db2.gz IZLOHBIYHGJPBD-UHFFFAOYSA-N 1 0 504.403 3.521 1 0 KHAFRO Cc1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)nn1-c1ccc(Cl)cc1 ZINC000095585705 562773726 /nfs/dbraw/zinc/77/37/26/562773726.db2.gz BYCWVNJASODVBC-VMPREFPWSA-N 1 0 707.211 3.764 1 0 KHAFRO CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C(C)(C)c3ccccc3)cc2)CC1 ZINC000095586003 562773798 /nfs/dbraw/zinc/77/37/98/562773798.db2.gz XCYLRZRLAUXPDN-XZWHSSHBSA-N 1 0 528.697 3.582 1 0 KHAFRO COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](C)[NH3+] ZINC000095586357 562773954 /nfs/dbraw/zinc/77/39/54/562773954.db2.gz NYEKHAPBJWHLAI-BBBIZMJLSA-N 1 0 505.571 3.878 1 0 KHAFRO CCc1[nH]c2nc(Sc3ccc4c(c3)nc(C(=O)[O-])cc4N3CC[C@H]([NH3+])C3)nc(N3CC[C@@H]([NH3+])C3)c2c1Cl ZINC000095586423 562773965 /nfs/dbraw/zinc/77/39/65/562773965.db2.gz UMTVNPRGXWUICJ-UONOGXRCSA-N 1 0 553.092 3.646 1 0 KHAFRO CNC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000095587026 562774163 /nfs/dbraw/zinc/77/41/63/562774163.db2.gz OLRLACBCNUOIBQ-YGNFSNGMSA-N 1 0 602.732 3.898 1 0 KHAFRO COc1ccc([C@H]2[C@H](c3ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095588317 562774624 /nfs/dbraw/zinc/77/46/24/562774624.db2.gz QTXWCTJRUKQZNT-WIRXVTQYSA-N 1 0 562.667 3.988 1 0 KHAFRO COc1ccc([C@H]2[C@H](c3ccc(NC(=O)[C@H](C)[NH3+])cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095589337 562774937 /nfs/dbraw/zinc/77/49/37/562774937.db2.gz QXBMIAZULDTEIQ-BBBIZMJLSA-N 1 0 505.571 3.878 1 0 KHAFRO CNC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)[NH2+]Cc1ccc(OC)cc1 ZINC000095589792 562775035 /nfs/dbraw/zinc/77/50/35/562775035.db2.gz UZNFOWMAWBYYON-PHOVOJGCSA-N 1 0 572.706 3.890 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000095589997 562775094 /nfs/dbraw/zinc/77/50/94/562775094.db2.gz PXPBZSMJNONRMS-GNKBHMEESA-N 1 0 539.673 3.748 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000095589998 562775124 /nfs/dbraw/zinc/77/51/24/562775124.db2.gz PXPBZSMJNONRMS-GSLIJJQTSA-N 1 0 539.673 3.748 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000095589999 562775096 /nfs/dbraw/zinc/77/50/96/562775096.db2.gz PXPBZSMJNONRMS-USZFVNFHSA-N 1 0 539.673 3.748 1 0 KHAFRO COc1ccc(C2=NN(CCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000095590000 562775118 /nfs/dbraw/zinc/77/51/18/562775118.db2.gz PXPBZSMJNONRMS-MZKUHISZSA-N 1 0 539.673 3.748 1 0 KHAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2n[nH]nc21 ZINC000095592105 562775873 /nfs/dbraw/zinc/77/58/73/562775873.db2.gz OEUDGDKDYOXFHU-SSEXGKCCSA-N 1 0 627.794 3.876 1 0 KHAFRO COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCC[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000095592444 562775955 /nfs/dbraw/zinc/77/59/55/562775955.db2.gz JYOXUGWDXPAIKN-NRFANRHFSA-N 1 0 536.412 3.939 1 0 KHAFRO COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCC[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000095592445 562775950 /nfs/dbraw/zinc/77/59/50/562775950.db2.gz JYOXUGWDXPAIKN-OAQYLSRUSA-N 1 0 536.412 3.939 1 0 KHAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+](C2CCC(c3ccc(O)cn3)CC2)C1 ZINC000095595173 562776637 /nfs/dbraw/zinc/77/66/37/562776637.db2.gz HCMNHKKXBRMTLE-UHFFFAOYSA-N 1 0 500.525 3.688 1 0 KHAFRO COc1cnccc1C1CCC([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000095595285 562776656 /nfs/dbraw/zinc/77/66/56/562776656.db2.gz WUDISVMQPSNWSK-UHFFFAOYSA-N 1 0 514.552 3.991 1 0 KHAFRO O=C(CNc1cc[nH+]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cncs3)CC2)C1 ZINC000095595861 562776813 /nfs/dbraw/zinc/77/68/13/562776813.db2.gz LSNMCGAJTRFBRL-UHFFFAOYSA-N 1 0 505.566 3.753 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095596981 562777108 /nfs/dbraw/zinc/77/71/08/562777108.db2.gz VRCSPWTZICTDDZ-IAHXGYHISA-N 1 0 503.512 3.573 1 0 KHAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095596982 562777131 /nfs/dbraw/zinc/77/71/31/562777131.db2.gz VRCSPWTZICTDDZ-VEQFOHNZSA-N 1 0 503.512 3.573 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095596983 562777134 /nfs/dbraw/zinc/77/71/34/562777134.db2.gz VRCSPWTZICTDDZ-KPVFINMKSA-N 1 0 503.512 3.573 1 0 KHAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095596984 562777115 /nfs/dbraw/zinc/77/71/15/562777115.db2.gz VRCSPWTZICTDDZ-RMYYBJAESA-N 1 0 503.512 3.573 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095598972 562777703 /nfs/dbraw/zinc/77/77/03/562777703.db2.gz PALRSHXOGLADEF-YZZKKUAISA-N 1 0 522.568 3.715 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095598980 562777686 /nfs/dbraw/zinc/77/76/86/562777686.db2.gz QPEXUVZRKHXLPB-UZINWLIJSA-N 1 0 515.695 3.784 1 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095599693 562778277 /nfs/dbraw/zinc/77/82/77/562778277.db2.gz SREUWAAPQJIJAQ-IEOSBIPESA-N 1 0 559.711 3.939 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095599863 562778389 /nfs/dbraw/zinc/77/83/89/562778389.db2.gz BQSXXCPQQGYVBA-CUMRGQLISA-N 1 0 538.645 3.550 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@H+](C)Cc2cccnc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095599953 562778500 /nfs/dbraw/zinc/77/85/00/562778500.db2.gz LQHUAUXKRFERQF-LOYIFYEOSA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@H+](C)Cc2ccncc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095599979 562778478 /nfs/dbraw/zinc/77/84/78/562778478.db2.gz IWJCENAAVLKEJR-BCQCSXDESA-N 1 0 509.672 3.958 1 0 KHAFRO COc1ccccc1-c1ccc2c(c1)O[C@H](C[N@H+](C)Cc1ccc3c(c1)OCO3)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095599990 562778514 /nfs/dbraw/zinc/77/85/14/562778514.db2.gz YWADXHNDBHGHLS-HNMNOHOESA-N 1 0 568.692 3.992 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@H+](C)Cc2ccncc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095600437 562778932 /nfs/dbraw/zinc/77/89/32/562778932.db2.gz IWJCENAAVLKEJR-LOYIFYEOSA-N 1 0 509.672 3.958 1 0 KHAFRO 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773.979 3.653 1 0 KHAFRO O=C(C[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000095606054 562781876 /nfs/dbraw/zinc/78/18/76/562781876.db2.gz SIIQXVYFUBJCSB-OYEOLZAXSA-N 1 0 773.979 3.653 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O ZINC000095606659 562782283 /nfs/dbraw/zinc/78/22/83/562782283.db2.gz PEEGTDLCSQGWIL-GTKRZRNESA-N 1 0 776.935 3.627 1 0 KHAFRO COc1ccccc1N1CCN(C(=O)N[C@@H](Cc2cc(Br)c([O-])c(Br)c2)C(=O)N[C@H](CCCC[NH3+])C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000095606710 562782310 /nfs/dbraw/zinc/78/23/10/562782310.db2.gz QNCVCYMTQQDFHE-IHLOFXLRSA-N 1 0 830.623 3.726 1 0 KHAFRO COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c([O-])c(Br)c2)C(=O)N[C@H](CCCC[NH3+])C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000095606752 562782346 /nfs/dbraw/zinc/78/23/46/562782346.db2.gz QRTDBPVYMKZTKN-IHLOFXLRSA-N 1 0 789.570 3.736 1 0 KHAFRO 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SCFDAWOKUNONKP-KBTGMKBMSA-N 1 0 787.630 3.934 1 0 KHAFRO C[C@@](O)(Cn1cnc2c1ncnc2-n1cccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095613805 562786504 /nfs/dbraw/zinc/78/65/04/562786504.db2.gz DWGPMLPUQXUFJP-PMERELPUSA-N 1 0 507.642 3.775 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095614320 562786540 /nfs/dbraw/zinc/78/65/40/562786540.db2.gz AJBRYEJBCJFQAU-WDZGZTKBSA-N 1 0 764.785 3.885 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000095614353 562786556 /nfs/dbraw/zinc/78/65/56/562786556.db2.gz INRJYOHEHMAYAC-WJSYJTBZSA-N 1 0 734.884 3.885 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000095614354 562786578 /nfs/dbraw/zinc/78/65/78/562786578.db2.gz INRJYOHEHMAYAC-YWJIICPSSA-N 1 0 734.884 3.885 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2cccnc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095614673 562786801 /nfs/dbraw/zinc/78/68/01/562786801.db2.gz TZQHXNUCZFFYTO-XGLRNOBXSA-N 1 0 715.885 3.957 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)Nc2ccccc2C(F)(F)F)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095614721 562786868 /nfs/dbraw/zinc/78/68/68/562786868.db2.gz QOKKVUOHIXWMJE-AFCUZKIKSA-N 1 0 763.892 3.597 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Nc2nccs2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H](OC)[C@]1(C)O ZINC000095615247 562787170 /nfs/dbraw/zinc/78/71/70/562787170.db2.gz RASAAHPQOOHWGY-JAXUSSJESA-N 1 0 729.934 3.882 1 0 KHAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCOCC2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095616059 562787758 /nfs/dbraw/zinc/78/77/58/562787758.db2.gz GGQPVHHCPXBKQE-SCXNRCNLSA-N 1 0 768.868 3.990 1 0 KHAFRO CCCCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095616062 562787756 /nfs/dbraw/zinc/78/77/56/562787756.db2.gz JSEDTOFZZLNMQM-VNMWMSJCSA-N 1 0 779.983 3.747 1 0 KHAFRO CCCCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095616063 562787765 /nfs/dbraw/zinc/78/77/65/562787765.db2.gz JSEDTOFZZLNMQM-DOWKINRCSA-N 1 0 779.983 3.747 1 0 KHAFRO C[NH2+]C[C@H](O)c1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000095616074 562787791 /nfs/dbraw/zinc/78/77/91/562787791.db2.gz KHWOJHLZIWAPIG-BUKVSMQUSA-N 1 0 763.072 3.702 1 0 KHAFRO C[NH2+]C[C@@H](O)c1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000095616075 562787789 /nfs/dbraw/zinc/78/77/89/562787789.db2.gz KHWOJHLZIWAPIG-BUVFEPMLSA-N 1 0 763.072 3.702 1 0 KHAFRO CCC[N@@H+]1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H]1C ZINC000095680194 562788357 /nfs/dbraw/zinc/78/83/57/562788357.db2.gz WGQZSYQQZLCSDJ-LJKQEARRSA-N 1 0 511.619 3.884 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@H+](C)Cc2ccncc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095710579 562788672 /nfs/dbraw/zinc/78/86/72/562788672.db2.gz IWJCENAAVLKEJR-VHSZZVNMSA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@H+](C)Cc2ccncc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095710582 562788660 /nfs/dbraw/zinc/78/86/60/562788660.db2.gz IWJCENAAVLKEJR-OREGWCPLSA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@H+](C)Cc2cccnc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095710716 562788663 /nfs/dbraw/zinc/78/86/63/562788663.db2.gz LQHUAUXKRFERQF-BERHBOFZSA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@H+](C)Cc2ccccn2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095714223 562788685 /nfs/dbraw/zinc/78/86/85/562788685.db2.gz BOJXGEWATWCQGM-BCQCSXDESA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@H+](C)Cc2ccccn2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095714225 562788656 /nfs/dbraw/zinc/78/86/56/562788656.db2.gz BOJXGEWATWCQGM-LOYIFYEOSA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@H+](C)Cc2ccccn2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095714230 562788643 /nfs/dbraw/zinc/78/86/43/562788643.db2.gz BOJXGEWATWCQGM-OREGWCPLSA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccccc1-c1ccc2c(c1)O[C@H](C[N@H+](C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726041 562788693 /nfs/dbraw/zinc/78/86/93/562788693.db2.gz AJGCYTTWOKYRBW-BCQCSXDESA-N 1 0 509.672 3.958 1 0 KHAFRO Cc1ccccc1-c1ccc2c(c1)O[C@@H](C[N@H+](C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726042 562788697 /nfs/dbraw/zinc/78/86/97/562788697.db2.gz AJGCYTTWOKYRBW-LOYIFYEOSA-N 1 0 509.672 3.958 1 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(-c3cccc(C(=O)N(C)C)c3)ccc2S1(=O)=O ZINC000095732534 562788702 /nfs/dbraw/zinc/78/87/02/562788702.db2.gz MYWSUSXCAZFZDP-WOGZVKCMSA-N 1 0 609.745 3.685 1 0 KHAFRO COc1ccccc1-c1ccc2c(c1)O[C@@H](C[N@H+](C)Cc1ccc3c(c1)OCO3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732574 562788760 /nfs/dbraw/zinc/78/87/60/562788760.db2.gz YWADXHNDBHGHLS-WURXVLGASA-N 1 0 568.692 3.992 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccnc2)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000095734491 562788774 /nfs/dbraw/zinc/78/87/74/562788774.db2.gz JEPVQKOMBMDDOB-CUVVAGTFSA-N 1 0 513.635 3.788 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095753959 562788880 /nfs/dbraw/zinc/78/88/80/562788880.db2.gz KDWFAOIYLGHTDK-WENLUUPESA-N 1 0 579.735 3.984 1 0 KHAFRO C[NH2+]C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095772669 562789006 /nfs/dbraw/zinc/78/90/06/562789006.db2.gz SKZBTEBCBLPBIZ-JTNFPWQOSA-N 1 0 561.745 3.811 1 0 KHAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[NH+](C)C)OCCCC[C@@H](C)O3)cc1 ZINC000095782062 562789102 /nfs/dbraw/zinc/78/91/02/562789102.db2.gz IVNRRFOIDKKMKL-DGGNIJSCSA-N 1 0 591.771 3.853 1 0 KHAFRO COc1ccc2c(c1)n(C)c1c2C2(C[NH+](CC3CCOCC3)C2)CN(Cc2ccccc2OC)[C@H]1CO ZINC000095793869 562789138 /nfs/dbraw/zinc/78/91/38/562789138.db2.gz YHVLRZRFUNZIBJ-SANMLTNESA-N 1 0 505.659 3.725 1 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CC2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095832634 562789338 /nfs/dbraw/zinc/78/93/38/562789338.db2.gz ANSWJBIHJRHQOI-ANSQWYIGSA-N 1 0 550.121 3.632 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CC2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095847153 562789510 /nfs/dbraw/zinc/78/95/10/562789510.db2.gz UPEDAUWOASCVFT-DPOKWSEZSA-N 1 0 524.618 3.621 1 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095853447 562789564 /nfs/dbraw/zinc/78/95/64/562789564.db2.gz BQSXXCPQQGYVBA-VXLXPWSCSA-N 1 0 538.645 3.550 1 0 KHAFRO COc1ccc2c(c1)[nH]c1c2C2(C[NH+](CC3CCOCC3)C2)CN(C(=O)Nc2cccc(F)c2)[C@@H]1CO ZINC000095865575 562789739 /nfs/dbraw/zinc/78/97/39/562789739.db2.gz SWNIBGLAQHWJOK-XMMPIXPASA-N 1 0 508.594 3.877 1 0 KHAFRO COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3nccs3)CC2)C[N@H+](CC2CCOCC2)[C@H]1CO ZINC000095865806 562789755 /nfs/dbraw/zinc/78/97/55/562789755.db2.gz ABQVMDPQDGPFAQ-DEOSSOPVSA-N 1 0 510.704 3.953 1 0 KHAFRO Cc1cccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095872128 562789951 /nfs/dbraw/zinc/78/99/51/562789951.db2.gz FJEIJTJDFLPVHQ-BCQCSXDESA-N 1 0 516.642 3.994 1 0 KHAFRO Cc1ccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095872129 562790055 /nfs/dbraw/zinc/79/00/55/562790055.db2.gz DGDJROQLWLBOSE-BCQCSXDESA-N 1 0 516.642 3.994 1 0 KHAFRO COc1ccccc1C[N@H+](C)C[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095872134 562789999 /nfs/dbraw/zinc/78/99/99/562789999.db2.gz HGVBLVYQCJJUFY-NOMHHCBYSA-N 1 0 532.641 3.695 1 0 KHAFRO COc1cccc(C[N@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095872135 562790044 /nfs/dbraw/zinc/79/00/44/562790044.db2.gz QVKPHTUDZUXENO-NOMHHCBYSA-N 1 0 532.641 3.695 1 0 KHAFRO Cc1ccccc1C[N@@H+](C)C[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095872136 562790071 /nfs/dbraw/zinc/79/00/71/562790071.db2.gz ZHTFQYLZBGGPST-BCQCSXDESA-N 1 0 516.642 3.994 1 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(F)c(F)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872139 562790033 /nfs/dbraw/zinc/79/00/33/562790033.db2.gz WQFXHCSMLAKBQJ-LZJCXSABSA-N 1 0 538.595 3.964 1 0 KHAFRO COc1cc(C(=O)OCCCN2CC[N@H+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2(C)C)cc(OC)c1OC ZINC000095873065 562790101 /nfs/dbraw/zinc/79/01/01/562790101.db2.gz LQGBVWMDQMRYQW-UHFFFAOYSA-N 1 0 618.724 3.928 1 0 KHAFRO COc1cc(C(=O)OCCCCN2CC[NH+](CCCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000095873069 562790170 /nfs/dbraw/zinc/79/01/70/562790170.db2.gz FIYNXCXTJKFSCB-UHFFFAOYSA-N 1 0 618.724 3.930 1 0 KHAFRO CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)[NH2+]C)[C@@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000095910168 291809726 /nfs/dbraw/zinc/80/97/26/291809726.db2.gz JDFUVCMEHULMNF-MFKNPDPISA-N 1 0 554.691 3.754 1 0 biogenic,in-vitro KHAFRO CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6[C@H](OC(=O)c7ccccc7)[C@@H]5C(=C[C@H](O[C@@H]13)[C@@H]42)C[C@@H]6OC ZINC000095911530 560058053 /nfs/dbraw/zinc/05/80/53/560058053.db2.gz PRSZAYFQYPQWDR-FINCBECVSA-N 1 0 523.670 3.928 1 0 biogenic,in-vitro KHAFRO CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)/C=C/c7ccccc7)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000095912817 560056936 /nfs/dbraw/zinc/05/69/36/560056936.db2.gz WLZGQXZRYWLRFN-PFZZMRPGSA-N 1 0 551.724 3.796 1 0 biogenic,in-vitro KHAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH2+]C)[C@@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000095918579 291809322 /nfs/dbraw/zinc/80/93/22/291809322.db2.gz JDFUVCMEHULMNF-RMWVGYOZSA-N 1 0 554.691 3.754 1 0 biogenic,in-vitro KHAFRO COc1ccc(C(=O)O[C@H]2[C@]34CC[C@@H](C[C@H]3[C@@]35CCC[C@@]6(C)C[N@H+](C)[C@@H]3[C@@H]4C[C@@H]56)[C@@]2(O)CO)cc1OC ZINC000095919346 560054516 /nfs/dbraw/zinc/05/45/16/560054516.db2.gz IFIRAFGDQZPYNA-WNZNZWQSSA-N 1 0 511.659 3.509 1 0 biogenic,in-vitro KHAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccccc1N ZINC000096167755 562790521 /nfs/dbraw/zinc/79/05/21/562790521.db2.gz FYCVBJVZKIJZAM-UHFFFAOYSA-N 1 0 503.632 3.700 1 0 KHAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1cccc(CO)c1 ZINC000096167762 562790584 /nfs/dbraw/zinc/79/05/84/562790584.db2.gz QPQTXSMCSCYFGQ-UHFFFAOYSA-N 1 0 518.643 3.610 1 0 KHAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccc(CO)s1 ZINC000096167772 562790580 /nfs/dbraw/zinc/79/05/80/562790580.db2.gz LABCTTMUCCQJOL-UHFFFAOYSA-N 1 0 524.672 3.672 1 0 KHAFRO Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)[nH]c-2cc1=O ZINC000096167773 562790582 /nfs/dbraw/zinc/79/05/82/562790582.db2.gz VFOBJIZWCLMSKV-UHFFFAOYSA-N 1 0 504.616 3.824 1 0 KHAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1F ZINC000096167783 562790588 /nfs/dbraw/zinc/79/05/88/562790588.db2.gz SNPBHDKSFYPTLG-UHFFFAOYSA-N 1 0 522.606 3.963 1 0 KHAFRO Cc1cc(-c2ccc(O)c(F)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc12 ZINC000096167816 562790677 /nfs/dbraw/zinc/79/06/77/562790677.db2.gz CZMKAAZRVOBKJI-UHFFFAOYSA-N 1 0 522.606 3.963 1 0 KHAFRO C[NH+]1CCN(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cn2)CC1 ZINC000096169627 562790713 /nfs/dbraw/zinc/79/07/13/562790713.db2.gz JDMBOHIMNYUIJK-UHFFFAOYSA-N 1 0 531.564 3.709 1 0 KHAFRO CN(c1ccccc1CNc1cccn2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12)S(C)(=O)=O ZINC000096169672 562790783 /nfs/dbraw/zinc/79/07/83/562790783.db2.gz QIFRBZLXSGROBT-UHFFFAOYSA-N 1 0 535.674 3.955 1 0 KHAFRO CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12)S(C)(=O)=O ZINC000096169680 562790770 /nfs/dbraw/zinc/79/07/70/562790770.db2.gz UTILGGVSXFQUPI-UHFFFAOYSA-N 1 0 549.701 3.951 1 0 KHAFRO C[NH+]1CCN(c2ccc(Nc3nc4c(NC[C@H]5CCN(C(=O)OC(C)(C)C)C5)cccn4n3)cc2)CC1 ZINC000096169685 562790786 /nfs/dbraw/zinc/79/07/86/562790786.db2.gz JAWKMUVRMBFRKE-HXUWFJFHSA-N 1 0 506.655 3.894 1 0 KHAFRO CN(c1ccccc1/C=C/c1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169716 562790760 /nfs/dbraw/zinc/79/07/60/562790760.db2.gz XMSYNAHYQIZEHU-ZHACJKMWSA-N 1 0 517.659 3.791 1 0 KHAFRO C[C@H](Nc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)c1ccccc1N(C)S(C)(=O)=O ZINC000096169717 562790838 /nfs/dbraw/zinc/79/08/38/562790838.db2.gz DYWQXTTUZLFLAA-FQEVSTJZSA-N 1 0 534.690 3.794 1 0 KHAFRO CN(C)C(=O)C[N@@H+]1CCc2ccc(Nc3nc4c(-c5cccc6c5OC(F)(F)O6)cccn4n3)cc2CC1 ZINC000096169757 562790840 /nfs/dbraw/zinc/79/08/40/562790840.db2.gz RJDZTGXGZLTKBO-UHFFFAOYSA-N 1 0 520.540 3.950 1 0 KHAFRO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CC[NH2+]CC5)nc23)c(OCC(F)F)c1 ZINC000096169870 562790908 /nfs/dbraw/zinc/79/09/08/562790908.db2.gz RJHRDUJEFJMNON-UHFFFAOYSA-N 1 0 513.570 3.876 1 0 KHAFRO CS(=O)(=O)c1ccc(OCC(F)F)c(-c2cccn3nc(Nc4ccc5c(c4)CC[NH2+]CC5)nc23)c1 ZINC000096169872 562790921 /nfs/dbraw/zinc/79/09/21/562790921.db2.gz VFYFRYGIEUZKIF-UHFFFAOYSA-N 1 0 513.570 3.876 1 0 KHAFRO CN(C)C(=O)C[N@@H+]1CCc2ccc(Nc3nc4c(-c5cc(S(C)(=O)=O)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169873 562790895 /nfs/dbraw/zinc/79/08/95/562790895.db2.gz OAXBDXIWFBGMPC-UHFFFAOYSA-N 1 0 598.676 3.676 1 0 KHAFRO COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cn3)c3nccnc23)c1 ZINC000096173423 562791417 /nfs/dbraw/zinc/79/14/17/562791417.db2.gz JFBGADPPGLQMGI-UHFFFAOYSA-N 1 0 516.577 3.848 1 0 KHAFRO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCO3)nnc2[C@@H](Cc2ccccc2)NC(C)=O)cc1 ZINC000096173887 562791578 /nfs/dbraw/zinc/79/15/78/562791578.db2.gz ZEWOKKRACQOIMW-IWWXRALLSA-N 1 0 621.742 3.625 1 0 KHAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CN(C(=O)C[NH+](C)C)C1)C2 ZINC000096177899 562792459 /nfs/dbraw/zinc/79/24/59/562792459.db2.gz ZJYZBFPKYNFAFF-UHFFFAOYSA-N 1 0 628.155 3.536 1 0 KHAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CN(C(=O)[C@@H]3CCC[NH2+]3)C1)C2 ZINC000096177900 286624708 /nfs/dbraw/zinc/62/47/08/286624708.db2.gz BPJGCCUERFHLOJ-QHCPKHFHSA-N 1 0 640.166 3.727 1 0 KHAFRO COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnc4ccccc4c3N3CC[NH2+]CC3)cs1)C2 ZINC000096269607 562793012 /nfs/dbraw/zinc/79/30/12/562793012.db2.gz VLYMYJMHIBLBFT-UHFFFAOYSA-N 1 0 500.584 3.522 1 0 KHAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(OC)cc1 ZINC000096270494 562793220 /nfs/dbraw/zinc/79/32/20/562793220.db2.gz YXPBRJOHFAUJQU-OUOWLKGYSA-N 1 0 517.070 3.519 1 0 KHAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(C)cc1 ZINC000096270495 562793261 /nfs/dbraw/zinc/79/32/61/562793261.db2.gz OYGYLCPBTLZAET-UCFCWBNQSA-N 1 0 501.071 3.819 1 0 KHAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cc1 ZINC000096270496 562793234 /nfs/dbraw/zinc/79/32/34/562793234.db2.gz QJJRRUILCDGYSJ-FHZYATBESA-N 1 0 505.034 3.650 1 0 KHAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cc1 ZINC000096270497 562793257 /nfs/dbraw/zinc/79/32/57/562793257.db2.gz OHBBJZGYFZSSDY-SSPYTLHUSA-N 1 0 519.061 3.896 1 0 KHAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccccc1 ZINC000096270502 562793269 /nfs/dbraw/zinc/79/32/69/562793269.db2.gz KLOZPKKHAXWVGF-SSPYTLHUSA-N 1 0 501.071 3.756 1 0 KHAFRO Cc1nc(Nc2cc(-c3ccc(CNC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]n2)cc(N2CC[NH2+]CC2)n1 ZINC000096270643 562793259 /nfs/dbraw/zinc/79/32/59/562793259.db2.gz DCPLEPZZUMGUJX-UHFFFAOYSA-N 1 0 530.637 3.936 1 0 KHAFRO Cc1cc(NC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)cc2)no1 ZINC000096270651 562793295 /nfs/dbraw/zinc/79/32/95/562793295.db2.gz KZOKUOXISXMSOB-UHFFFAOYSA-N 1 0 514.590 3.699 1 0 KHAFRO Cc1nc(-c2ccc(N(C)C)cn2)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271226 562793725 /nfs/dbraw/zinc/79/37/25/562793725.db2.gz PLSOHYMTXJFTJD-DEOSSOPVSA-N 1 0 537.112 3.521 1 0 KHAFRO Cc1nc(-c2ccc(F)cn2)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271230 562793721 /nfs/dbraw/zinc/79/37/21/562793721.db2.gz OGUUREAHYUUHTJ-QFIPXVFZSA-N 1 0 512.033 3.594 1 0 KHAFRO O=C(c1ccc(O)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CCCCC1 ZINC000096271611 562793813 /nfs/dbraw/zinc/79/38/13/562793813.db2.gz DIEQQIKEZQRHHN-QFIPXVFZSA-N 1 0 501.023 3.881 1 0 KHAFRO Cc1cc(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)ccc1C(=O)NC1CC[NH+](C)CC1 ZINC000096271644 562793892 /nfs/dbraw/zinc/79/38/92/562793892.db2.gz WQQPBXGJFFKXKX-UHFFFAOYSA-N 1 0 527.620 3.713 1 0 KHAFRO COc1c(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)ccc(C(=O)NC2CC[NH+](C)CC2)c1F ZINC000096271647 562793875 /nfs/dbraw/zinc/79/38/75/562793875.db2.gz RXDSAQWDJRAMCT-UHFFFAOYSA-N 1 0 561.609 3.553 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)cc(F)c1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C ZINC000096271648 562793864 /nfs/dbraw/zinc/79/38/64/562793864.db2.gz WYSOLHCQRQBXQP-UHFFFAOYSA-N 1 0 561.609 3.553 1 0 KHAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000096272618 562794102 /nfs/dbraw/zinc/79/41/02/562794102.db2.gz FYHKPZFIVNTTHR-DTAGWJSLSA-N 1 0 552.474 3.742 1 0 KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CC2(COC2)Oc2ccc(CC(C)(C)C)cc21 ZINC000096282230 562794645 /nfs/dbraw/zinc/79/46/45/562794645.db2.gz QHYDRWXXOVHLSJ-CCDWMCETSA-N 1 0 502.602 3.844 1 0 KHAFRO Cc1ccccc1N1CC(C)(C)N([C@H]2C[NH2+]C[C@@H](C(=O)N[C@H](CC(C)C)c3ccc(F)cn3)C2)CC1=O ZINC000096283057 562794791 /nfs/dbraw/zinc/79/47/91/562794791.db2.gz SURFEDDEQIGIAF-QQKQFIJSSA-N 1 0 509.670 3.838 1 0 KHAFRO Cc1ccc(F)cc1N1CC(C)(C)N([C@H]2C[NH2+]C[C@@H](C(=O)N[C@H](CC(C)C)c3ccc(F)cn3)C2)CC1=O ZINC000096283058 562794756 /nfs/dbraw/zinc/79/47/56/562794756.db2.gz AYJWYXSNEYSBKE-QUURXOELSA-N 1 0 527.660 3.977 1 0 KHAFRO CC(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ncco1 ZINC000096283059 562794786 /nfs/dbraw/zinc/79/47/86/562794786.db2.gz IPWZYHHAGSNUQN-QKNQBKEWSA-N 1 0 502.059 3.637 1 0 KHAFRO CC(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccno1 ZINC000096283060 562794797 /nfs/dbraw/zinc/79/47/97/562794797.db2.gz VPWKOWNFRQOUAP-QKNQBKEWSA-N 1 0 502.059 3.637 1 0 KHAFRO CC(C)[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H]([NH3+])CCc2ccccc2)c1)C(=O)OCc1ccccc1 ZINC000096283141 562794803 /nfs/dbraw/zinc/79/48/03/562794803.db2.gz UKJHTSLJHWRDGS-AHWVRZQESA-N 1 0 502.615 3.665 1 0 KHAFRO O=C(Cc1ccc(OC2CC[NH2+]CC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 ZINC000096284094 562795013 /nfs/dbraw/zinc/79/50/13/562795013.db2.gz YLEJYQFWEATDSD-UHFFFAOYSA-N 1 0 509.622 3.679 1 0 KHAFRO CCN(CC)S(=O)(=O)c1ccc2c(c1)/C(=C1\CCCc3c(C(=O)NCC[NH+](CC)CC)c(C)[nH]c31)C(=O)N2 ZINC000096284780 562795366 /nfs/dbraw/zinc/79/53/66/562795366.db2.gz HMUKVPJLLHVYSZ-DAFNUICNSA-N 1 0 541.718 3.624 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285028 562795390 /nfs/dbraw/zinc/79/53/90/562795390.db2.gz NYZLBAGNVDGXCG-YWZLYKJASA-N 1 0 512.404 3.629 1 0 KHAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(CC(F)(F)F)c4=O)CC3)CC2)ccn1 ZINC000096285292 562795455 /nfs/dbraw/zinc/79/54/55/562795455.db2.gz QWEGNKRBUGIZBY-UHFFFAOYSA-N 1 0 534.558 3.557 1 0 KHAFRO CC(C)Cn1c2cc(F)ccc2n(C2CCN(C(=O)C3CC[NH+](Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285293 562795479 /nfs/dbraw/zinc/79/54/79/562795479.db2.gz TXRQOKKFUWBRKJ-UHFFFAOYSA-N 1 0 508.642 3.651 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(OC)ccc3ccccc32)C1=O ZINC000096285503 562795808 /nfs/dbraw/zinc/79/58/08/562795808.db2.gz OMGSWRKTEWFWDD-RDPSFJRHSA-N 1 0 516.642 3.867 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285519 562795806 /nfs/dbraw/zinc/79/58/06/562795806.db2.gz PBAVHKPUMOQYFD-AOMKIAJQSA-N 1 0 553.457 3.603 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc32)C1=O ZINC000096285524 562795785 /nfs/dbraw/zinc/79/57/85/562795785.db2.gz BXNIMYHZUMCTGM-FNZWTVRRSA-N 1 0 551.647 3.717 1 0 in-vitro KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285535 562795800 /nfs/dbraw/zinc/79/58/00/562795800.db2.gz WNFDOEFATWINQC-UUOWRZLLSA-N 1 0 617.504 3.687 1 0 KHAFRO Cc1[nH]c2cn(C[C@@H]3CCCN3S(=O)(=O)C3CC3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000096285853 562795947 /nfs/dbraw/zinc/79/59/47/562795947.db2.gz JXXNQEGNWBPSSV-HNNXBMFYSA-N 1 0 509.459 3.735 1 0 KHAFRO C[C@H](NS(=O)(=O)c1cc(-c2cnn(C3CC[NH2+]CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285903 562795935 /nfs/dbraw/zinc/79/59/35/562795935.db2.gz YJRGTJGQUSGNNP-LBPRGKRZSA-N 1 0 513.426 3.937 1 0 KHAFRO C[C@@H](NS(=O)(=O)c1cc(-c2cnn(C3CC[NH2+]CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285904 562795953 /nfs/dbraw/zinc/79/59/53/562795953.db2.gz YJRGTJGQUSGNNP-GFCCVEGCSA-N 1 0 513.426 3.937 1 0 KHAFRO OCC[NH2+]C1CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1 ZINC000096318751 562796537 /nfs/dbraw/zinc/79/65/37/562796537.db2.gz YVHIBMWTWVBAAS-UHFFFAOYSA-N 1 0 514.609 3.556 1 0 KHAFRO CN(C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC[NH2+]C1)[C@@H](Cc1ccccc1)C(N)=O ZINC000096894162 562796681 /nfs/dbraw/zinc/79/66/81/562796681.db2.gz RHDVLLJJSIYHGH-ORLFITTNSA-N 1 0 772.991 3.750 1 0 KHAFRO CN(C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H]1CCC[NH2+]C1)[C@@H](Cc1ccccc1)C(N)=O ZINC000096894166 562796678 /nfs/dbraw/zinc/79/66/78/562796678.db2.gz RHDVLLJJSIYHGH-LSLOANPCSA-N 1 0 772.991 3.750 1 0 KHAFRO CC[NH+](CC)[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000096901135 562797041 /nfs/dbraw/zinc/79/70/41/562797041.db2.gz ROIAQVJIJMZSSX-BQMULWJUSA-N 1 0 555.785 3.960 1 0 KHAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CCc2nc(N)ncc2C1 ZINC000096901838 562797180 /nfs/dbraw/zinc/79/71/80/562797180.db2.gz LUWOLSNFQZQQJX-DURBRWELSA-N 1 0 537.655 3.717 1 0 KHAFRO CC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)[NH+](C)C ZINC000096902192 562797293 /nfs/dbraw/zinc/79/72/93/562797293.db2.gz SCJZVYYNGPHJMK-YNHGMAJTSA-N 1 0 573.738 3.860 1 0 KHAFRO CS(=O)(=O)N1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000096902210 562797305 /nfs/dbraw/zinc/79/73/05/562797305.db2.gz FVLSQIULWKLDJE-MUUNZHRXSA-N 1 0 579.594 3.705 1 0 KHAFRO CS(=O)(=O)N1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000096902211 562797314 /nfs/dbraw/zinc/79/73/14/562797314.db2.gz FVLSQIULWKLDJE-NDEPHWFRSA-N 1 0 579.594 3.705 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1 ZINC000096902484 562797422 /nfs/dbraw/zinc/79/74/22/562797422.db2.gz NFAIUGGVGYAECP-ASVWTAOFSA-N 1 0 579.701 3.784 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc21 ZINC000096903220 562797865 /nfs/dbraw/zinc/79/78/65/562797865.db2.gz TXQGQAZDHWLMHQ-ASVWTAOFSA-N 1 0 579.701 3.784 1 0 KHAFRO COc1c(C)cc2cccnc2c1N1CCCN([C@H](C(=O)N2CC[NH2+]CC2)c2csc(C(C)C)n2)CC1 ZINC000096905547 562798541 /nfs/dbraw/zinc/79/85/41/562798541.db2.gz LLAXRCZWYGKBDZ-DEOSSOPVSA-N 1 0 522.719 3.817 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@@H](C)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1 ZINC000096905852 562798625 /nfs/dbraw/zinc/79/86/25/562798625.db2.gz NWCLUPOGVWVFRT-OLILMLBXSA-N 1 0 539.680 3.923 1 0 KHAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)OCc1ccccc1 ZINC000096909261 562799538 /nfs/dbraw/zinc/79/95/38/562799538.db2.gz APBQDXVAHFRLOH-UIOOFZCWSA-N 1 0 537.060 3.944 1 0 KHAFRO Cc1cccc(-c2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@@H](CCCC[NH3+])C(N)=O)cc2)c1 ZINC000096909262 562799552 /nfs/dbraw/zinc/79/95/52/562799552.db2.gz GVMOPXPYQJUKBF-SVBPBHIXSA-N 1 0 516.642 3.599 1 0 KHAFRO Cc1ccccc1-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(N)=O)cc1 ZINC000096909263 562799573 /nfs/dbraw/zinc/79/95/73/562799573.db2.gz PKMMIXMKCHDGQI-SVBPBHIXSA-N 1 0 516.642 3.599 1 0 KHAFRO Cc1ccc(-c2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@@H](CCCC[NH3+])C(N)=O)cc2)cc1 ZINC000096909264 562799551 /nfs/dbraw/zinc/79/95/51/562799551.db2.gz MZFQRJMSGIWNTR-SVBPBHIXSA-N 1 0 516.642 3.599 1 0 KHAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C ZINC000096910334 562799981 /nfs/dbraw/zinc/79/99/81/562799981.db2.gz WBUIXKFNKVOXRY-LSMDWJNFSA-N 1 0 518.702 3.704 1 0 KHAFRO O=C(CCc1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000096913979 562800692 /nfs/dbraw/zinc/80/06/92/562800692.db2.gz YVCWQBDLRHZINM-PSTIANMPSA-N 1 0 525.649 3.622 1 0 KHAFRO COc1c2ccccc2c(Cl)nc1C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000096913981 562800723 /nfs/dbraw/zinc/80/07/23/562800723.db2.gz POSDXXHDYYVBFA-OZKNTWEWSA-N 1 0 562.066 3.965 1 0 KHAFRO O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1cc2ccccc2c(Cl)n1 ZINC000096913984 562800710 /nfs/dbraw/zinc/80/07/10/562800710.db2.gz AVWCTYGZQSFPNB-XKXSCJQESA-N 1 0 532.040 3.957 1 0 KHAFRO Cc1nc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]2O6)cc2ccccc12 ZINC000096913985 562800704 /nfs/dbraw/zinc/80/07/04/562800704.db2.gz PMAXWGAUDDWHOX-UMRDZTPJSA-N 1 0 511.622 3.612 1 0 KHAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000096914823 562800871 /nfs/dbraw/zinc/80/08/71/562800871.db2.gz FMWVLOOFBWURQV-WHRPCMNDSA-N 1 0 534.701 3.899 1 0 KHAFRO CC(C)C[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1c1ccccc1)[NH+](C)C ZINC000096914824 562800858 /nfs/dbraw/zinc/80/08/58/562800858.db2.gz ZKTFRIXUYOZICW-SPZUWTHGSA-N 1 0 534.701 3.899 1 0 KHAFRO COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@@H](Oc1ccc(C=O)cc1)c1ccccc1 ZINC000096914838 562800852 /nfs/dbraw/zinc/80/08/52/562800852.db2.gz AOPPXWOWDLPBRE-LJWNLINESA-N 1 0 553.700 3.784 1 0 KHAFRO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@H](Oc1ccc(C=O)cc1)c1ccccc1 ZINC000096914839 562800846 /nfs/dbraw/zinc/80/08/46/562800846.db2.gz AOPPXWOWDLPBRE-YVHASNINSA-N 1 0 553.700 3.784 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@@H](Oc1ccc(C=O)cc1)c1ccccc1 ZINC000096914840 562800862 /nfs/dbraw/zinc/80/08/62/562800862.db2.gz SSCUAVFHTLAVLS-ORYMTKCHSA-N 1 0 587.717 3.981 1 0 KHAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@H](Oc1ccc(C=O)cc1)c1ccccc1 ZINC000096914841 562800904 /nfs/dbraw/zinc/80/09/04/562800904.db2.gz SSCUAVFHTLAVLS-SYQUUIDJSA-N 1 0 587.717 3.981 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@@H](Oc1ccc(C=O)cc1)c1ccccc1)C(=O)OC ZINC000096914842 562800894 /nfs/dbraw/zinc/80/08/94/562800894.db2.gz JOGGKKOBPIHZTF-OZDPOCAXSA-N 1 0 553.700 3.784 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@H](Oc1ccc(C=O)cc1)c1ccccc1)C(=O)OC ZINC000096914843 562800896 /nfs/dbraw/zinc/80/08/96/562800896.db2.gz JOGGKKOBPIHZTF-BVQMNGHBSA-N 1 0 553.700 3.784 1 0 KHAFRO CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915699 562801079 /nfs/dbraw/zinc/80/10/79/562801079.db2.gz JMLDTOPCCNNMHI-FNPKNNKKSA-N 1 0 627.830 3.909 1 0 KHAFRO CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)CC ZINC000096915701 562801067 /nfs/dbraw/zinc/80/10/67/562801067.db2.gz PJFYEZGCVALHND-REZIECOHSA-N 1 0 593.813 3.856 1 0 KHAFRO O=C(Nc1ccccc1)[C@H]1N(CC(F)(F)F)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000096924006 562802226 /nfs/dbraw/zinc/80/22/26/562802226.db2.gz MORFGBFRFJHTAM-QAJOSVNBSA-N 1 0 555.597 3.580 1 0 KHAFRO O=C(Nc1ccccc1)[C@@H]1N(CC(F)(F)F)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000096927053 562802472 /nfs/dbraw/zinc/80/24/72/562802472.db2.gz MORFGBFRFJHTAM-NVHKLCLPSA-N 1 0 555.597 3.580 1 0 KHAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)N5CC[NH+](C6CCCC6)CC5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000096927782 562802705 /nfs/dbraw/zinc/80/27/05/562802705.db2.gz NHBMUNQPIRLIHW-QGWJVEIISA-N 1 0 675.739 3.754 1 0 KHAFRO CN1CCN(c2cc3nc(/C=C/c4ccc(C(=O)NCC[NH+](C)C)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938702 562804562 /nfs/dbraw/zinc/80/45/62/562804562.db2.gz RWCNSFJIDWHVQM-SDNWHVSQSA-N 1 0 554.670 3.738 1 0 KHAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](N3CC[NH+](C5CCCC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000096938876 562804582 /nfs/dbraw/zinc/80/45/82/562804582.db2.gz RXXUAKNUNLLFOL-GVQBMFDGSA-N 1 0 536.625 3.674 1 0 KHAFRO C[NH+]1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc(NC4CCOCC4)cc3)on2)CC1 ZINC000096939417 562804821 /nfs/dbraw/zinc/80/48/21/562804821.db2.gz QBFWAWCGBQADMN-UHFFFAOYSA-N 1 0 508.575 3.960 1 0 KHAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)nc3)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1 ZINC000098185561 562805898 /nfs/dbraw/zinc/80/58/98/562805898.db2.gz KNQNZYCEJZHGGP-UHFFFAOYSA-N 1 0 517.674 3.969 1 0 KHAFRO COc1ncc2cc(C(=O)Nc3cc(C(=O)N[C@H](CC[NH3+])c4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1 ZINC000098208127 562805985 /nfs/dbraw/zinc/80/59/85/562805985.db2.gz KUFCYNGJQRKYSQ-LJQANCHMSA-N 1 0 541.395 3.706 1 0 in-vitro KHAFRO CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccnc4)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000098208422 562805989 /nfs/dbraw/zinc/80/59/89/562805989.db2.gz YRHWSAKFUPDHFH-UHFFFAOYSA-N 1 0 619.752 3.777 1 0 in-vitro KHAFRO C[NH+](C)CCS[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000100014349 562806120 /nfs/dbraw/zinc/80/61/20/562806120.db2.gz TYMRKMAJBYJTEE-GYVXDGDLSA-N 1 0 587.852 3.913 1 0 KHAFRO C[C@@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4cc[nH+]cc4)n3)[nH]2)OC1 ZINC000100051794 562806395 /nfs/dbraw/zinc/80/63/95/562806395.db2.gz AZNVDGVIYYAARP-FCMXBYMOSA-N 1 0 545.575 3.722 1 0 KHAFRO O=C1CN(S(=O)(=O)c2cc3ccc(Br)cc3s2)CCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC000100935052 562808536 /nfs/dbraw/zinc/80/85/36/562808536.db2.gz VUBRKLOGRYIQPT-UHFFFAOYSA-N 1 0 505.419 3.525 1 0 KHAFRO CCCNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000101091140 562809129 /nfs/dbraw/zinc/80/91/29/562809129.db2.gz VUYWUZPXEINGGH-QGZVFWFLSA-N 1 0 529.012 3.752 1 0 KHAFRO COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H]([NH+]3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 ZINC000101091513 562809175 /nfs/dbraw/zinc/80/91/75/562809175.db2.gz AOESATFDEMWHLJ-SZPZYZBQSA-N 1 0 517.692 3.903 1 0 KHAFRO COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H]([NH+]3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 ZINC000101095868 562809171 /nfs/dbraw/zinc/80/91/71/562809171.db2.gz AOESATFDEMWHLJ-HZCBDIJESA-N 1 0 517.692 3.903 1 0 KHAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@H]([NH+]3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC ZINC000101098148 562809173 /nfs/dbraw/zinc/80/91/73/562809173.db2.gz YJXYZPLPRPNAPZ-SZPZYZBQSA-N 1 0 517.692 3.903 1 0 KHAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+]3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC ZINC000101127740 562809349 /nfs/dbraw/zinc/80/93/49/562809349.db2.gz YJXYZPLPRPNAPZ-HZCBDIJESA-N 1 0 517.692 3.903 1 0 KHAFRO Cc1cccc(C)c1[C@@]1(O)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000101441479 562810716 /nfs/dbraw/zinc/81/07/16/562810716.db2.gz TZKCRWKVXTVJNJ-HNACLESGSA-N 1 0 503.565 3.683 1 0 KHAFRO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000101464549 562810857 /nfs/dbraw/zinc/81/08/57/562810857.db2.gz ZKPGSSZLBVWBKW-IYARVYRRSA-N 1 0 514.623 3.703 1 0 KHAFRO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)CC1 ZINC000101464553 562810884 /nfs/dbraw/zinc/81/08/84/562810884.db2.gz ZKPGSSZLBVWBKW-HDICACEKSA-N 1 0 514.623 3.703 1 0 KHAFRO Cc1ccc([C@@]2(O)CC[C@@H]([N@@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000101469099 562810876 /nfs/dbraw/zinc/81/08/76/562810876.db2.gz YKSPNNYIWLFVCY-JQYIIUTOSA-N 1 0 503.565 3.765 1 0 KHAFRO Cc1ccc([C@@]2(O)CC[C@@H]([N@@H+]3CC[C@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000101469151 562810848 /nfs/dbraw/zinc/81/08/48/562810848.db2.gz YKSPNNYIWLFVCY-FXSPECFOSA-N 1 0 503.565 3.765 1 0 KHAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C=[N+](C)c2ccccc21 ZINC000101470177 562810881 /nfs/dbraw/zinc/81/08/81/562810881.db2.gz SWQWEWYADDAXRZ-HUAWEXLISA-O 1 0 589.716 3.630 1 0 KHAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1C=[N+](C)c2ccccc21 ZINC000101470180 562810842 /nfs/dbraw/zinc/81/08/42/562810842.db2.gz SWQWEWYADDAXRZ-FALBEQFMSA-O 1 0 589.716 3.630 1 0 KHAFRO C[C@@H]1c2ccc(O)c3[nH]cc(c32)-c2[nH]c(=O)c(-c3c[nH]c4cc(Br)ccc43)nc2[C@@]12CNC(=[NH2+])N2 ZINC000101603334 562811339 /nfs/dbraw/zinc/81/13/39/562811339.db2.gz ZUCSTWKVHHAHLA-REFGNXHDSA-N 1 0 530.386 3.765 1 0 KHAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1C ZINC000101641484 562811449 /nfs/dbraw/zinc/81/14/49/562811449.db2.gz ABECTNWXRXHWDP-KIHHCIJBSA-N 1 0 534.122 3.905 1 0 KHAFRO O=C(CN(CCO)CCO)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696496 562811902 /nfs/dbraw/zinc/81/19/02/562811902.db2.gz GCEVWEVHAVPIQF-UHFFFAOYSA-N 1 0 573.671 3.890 1 0 KHAFRO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2C(=O)c3ccccc3C2=O)c1=O ZINC000101850512 562812285 /nfs/dbraw/zinc/81/22/85/562812285.db2.gz CNEURECLCXUMNB-KOUNCHBCSA-N 1 0 512.610 3.604 1 0 KHAFRO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCN2CCN(S(C)(=O)=O)CC2)c1=O ZINC000102165409 562812804 /nfs/dbraw/zinc/81/28/04/562812804.db2.gz XJYKGQSAARGRMU-OUOZDZGXSA-N 1 0 599.842 3.835 1 0 KHAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1C ZINC000102827127 562813375 /nfs/dbraw/zinc/81/33/75/562813375.db2.gz ABECTNWXRXHWDP-XQUALCHDSA-N 1 0 534.122 3.905 1 0 KHAFRO CCCN(C(=O)NC)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196181 562815851 /nfs/dbraw/zinc/81/58/51/562815851.db2.gz HDQQTGJZTJLGQB-DEOSSOPVSA-N 1 0 500.709 3.997 1 0 KHAFRO CCCN(C(=O)NC)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196183 562815846 /nfs/dbraw/zinc/81/58/46/562815846.db2.gz HDQQTGJZTJLGQB-XMMPIXPASA-N 1 0 500.709 3.997 1 0 KHAFRO CC1=C(CC(=O)NCCOC(=O)Nc2c[n+](-c3ccccc3)no2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000103225330 562817671 /nfs/dbraw/zinc/81/76/71/562817671.db2.gz WRTDJXVVAGNQLY-QQXSKIMKSA-O 1 0 603.652 3.999 1 0 KHAFRO CC1=C(CC(=O)NCCNC(=O)Nc2c[n+](-c3ccccc3)no2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000103225332 562817669 /nfs/dbraw/zinc/81/76/69/562817669.db2.gz IJKPONSTPNIGDG-ZFYSVYJSSA-O 1 0 586.669 3.905 1 0 KHAFRO CC1=C(CC(=O)NCCNC(=O)Nc2c[n+](-c3ccccc3)no2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000103225334 562817674 /nfs/dbraw/zinc/81/76/74/562817674.db2.gz IJKPONSTPNIGDG-HNVWAABTSA-O 1 0 586.669 3.905 1 0 KHAFRO CC1=C(CC(=O)NCCNC(=O)Nc2c[n+](-c3ccccc3)no2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000103225339 562817661 /nfs/dbraw/zinc/81/76/61/562817661.db2.gz LWJWBDINZWASBH-QQXSKIMKSA-O 1 0 602.668 3.572 1 0 KHAFRO Cc1cccc(Nc2nc(-c3ccnc(-c4cn(CCOCCOCCOCCOCCOCCOCC[NH3+])nn4)c3)cs2)c1 ZINC000103225405 562817706 /nfs/dbraw/zinc/81/77/06/562817706.db2.gz UPIDUHHHGYSQFY-UHFFFAOYSA-N 1 0 641.795 3.574 1 0 KHAFRO Cc1cccc(Nc2nc(-c3ccncc3-c3cn(CCOCCOCCOCCOCCOCCOCC[NH3+])nn3)cs2)c1 ZINC000103225408 562817709 /nfs/dbraw/zinc/81/77/09/562817709.db2.gz MIFCQMKSOHZJMK-UHFFFAOYSA-N 1 0 641.795 3.574 1 0 KHAFRO CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)c5=O)[C@H]1C[C@H]24 ZINC000103227592 562817929 /nfs/dbraw/zinc/81/79/29/562817929.db2.gz PLDRDQAIUNYBAZ-PQOKEZARSA-N 1 0 541.648 3.994 1 0 KHAFRO COc1cc(-c2cnn(-c3ccc4c5c3cccc5C(=O)N(CC[NH+](C)C)C4=O)c2)cc(OC)c1OC ZINC000103230287 562818124 /nfs/dbraw/zinc/81/81/24/562818124.db2.gz IQPGCLNSOISERR-UHFFFAOYSA-N 1 0 500.555 3.876 1 0 KHAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](CCO)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000103231982 562818308 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COc1ncc2cc(C(=O)Nc3cc(C(=O)NC4(c5cccc(Cl)c5)CC[NH2+]CC4)ccc3Cl)c(=O)[nH]c2n1 ZINC000103251297 562820340 /nfs/dbraw/zinc/82/03/40/562820340.db2.gz VYFQFYLXCQFLON-UHFFFAOYSA-N 1 0 567.433 3.895 1 0 KHAFRO O[C@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2N2CCCC2)CC1 ZINC000103254525 562820698 /nfs/dbraw/zinc/82/06/98/562820698.db2.gz RITNFUXLHOVKDI-QFIPXVFZSA-N 1 0 504.469 3.628 1 0 KHAFRO O[C@@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2N2CCCC2)CC1 ZINC000103254527 562820693 /nfs/dbraw/zinc/82/06/93/562820693.db2.gz RITNFUXLHOVKDI-JOCHJYFZSA-N 1 0 504.469 3.628 1 0 KHAFRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(Sc2cnc(N3CCN(C)CC3)nc2OCc2ccccc2)c1 ZINC000103254953 562820695 /nfs/dbraw/zinc/82/06/95/562820695.db2.gz FUOCSRXYVJZEQY-DEOSSOPVSA-N 1 0 506.676 3.880 1 0 KHAFRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(Sc2cnc(N3CCN(C)CC3)nc2OCc2ccccc2)c1 ZINC000103254955 562820656 /nfs/dbraw/zinc/82/06/56/562820656.db2.gz FUOCSRXYVJZEQY-XMMPIXPASA-N 1 0 506.676 3.880 1 0 KHAFRO 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SRISIJVSWGZWNN-JUKMTINZSA-N 1 0 588.627 3.658 1 0 KHAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261798 562821534 /nfs/dbraw/zinc/82/15/34/562821534.db2.gz SRISIJVSWGZWNN-OMPHMWEUSA-N 1 0 588.627 3.658 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261800 562821520 /nfs/dbraw/zinc/82/15/20/562821520.db2.gz SRISIJVSWGZWNN-IDDJOHDCSA-N 1 0 588.627 3.658 1 0 KHAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261803 562821564 /nfs/dbraw/zinc/82/15/64/562821564.db2.gz SRISIJVSWGZWNN-UFGATABLSA-N 1 0 588.627 3.658 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261805 562821552 /nfs/dbraw/zinc/82/15/52/562821552.db2.gz CQAKLRMMRMTPEX-GQAIRGBYSA-N 1 0 602.654 3.796 1 0 KHAFRO 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ZINC000103261817 562821565 /nfs/dbraw/zinc/82/15/65/562821565.db2.gz TYFKRMJBENGBEF-QDYHEGQGSA-N 1 0 582.664 3.642 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261819 562821570 /nfs/dbraw/zinc/82/15/70/562821570.db2.gz TYFKRMJBENGBEF-YQCAGDPDSA-N 1 0 582.664 3.642 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261822 562821550 /nfs/dbraw/zinc/82/15/50/562821550.db2.gz TYFKRMJBENGBEF-YMAKWFFZSA-N 1 0 582.664 3.642 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263852 562821843 /nfs/dbraw/zinc/82/18/43/562821843.db2.gz YKIBGXJWZQFGCV-JETFMLQOSA-N 1 0 544.618 3.664 1 0 KHAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263855 562821848 /nfs/dbraw/zinc/82/18/48/562821848.db2.gz YKIBGXJWZQFGCV-DZRCDMONSA-N 1 0 544.618 3.664 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263856 562821842 /nfs/dbraw/zinc/82/18/42/562821842.db2.gz YKIBGXJWZQFGCV-SBPKXREESA-N 1 0 544.618 3.664 1 0 KHAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263858 562821837 /nfs/dbraw/zinc/82/18/37/562821837.db2.gz YKIBGXJWZQFGCV-COCYKNGTSA-N 1 0 544.618 3.664 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263900 562821855 /nfs/dbraw/zinc/82/18/55/562821855.db2.gz YERUGZMUTOOIMT-VHHJGSLPSA-N 1 0 598.666 3.699 1 0 KHAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263903 562821858 /nfs/dbraw/zinc/82/18/58/562821858.db2.gz YERUGZMUTOOIMT-SPUAGNJKSA-N 1 0 598.666 3.699 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263907 562821853 /nfs/dbraw/zinc/82/18/53/562821853.db2.gz YERUGZMUTOOIMT-OGPXKZBXSA-N 1 0 598.666 3.699 1 0 KHAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263909 562821854 /nfs/dbraw/zinc/82/18/54/562821854.db2.gz YERUGZMUTOOIMT-ZHMRRTDOSA-N 1 0 598.666 3.699 1 0 KHAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263913 562821861 /nfs/dbraw/zinc/82/18/61/562821861.db2.gz RBPWWKWEALRORD-DIWLOSCFSA-N 1 0 578.676 3.588 1 0 KHAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263919 562821894 /nfs/dbraw/zinc/82/18/94/562821894.db2.gz RBPWWKWEALRORD-WCUXGFAGSA-N 1 0 578.676 3.588 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263924 562821901 /nfs/dbraw/zinc/82/19/01/562821901.db2.gz RBPWWKWEALRORD-DOWNNPGHSA-N 1 0 578.676 3.588 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263927 562821867 /nfs/dbraw/zinc/82/18/67/562821867.db2.gz RBPWWKWEALRORD-JYRYTDHBSA-N 1 0 578.676 3.588 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103264975 562822082 /nfs/dbraw/zinc/82/20/82/562822082.db2.gz DJUIYVXFWSULEG-JRTCSAHXSA-N 1 0 600.682 3.619 1 0 KHAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103264977 562822042 /nfs/dbraw/zinc/82/20/42/562822042.db2.gz DJUIYVXFWSULEG-XHOKDYHZSA-N 1 0 600.682 3.619 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103264979 562822045 /nfs/dbraw/zinc/82/20/45/562822045.db2.gz DJUIYVXFWSULEG-AUZAOMBPSA-N 1 0 600.682 3.619 1 0 KHAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103264980 562822054 /nfs/dbraw/zinc/82/20/54/562822054.db2.gz DJUIYVXFWSULEG-PPIYLYHVSA-N 1 0 600.682 3.619 1 0 KHAFRO CC[C@H]1CN(c2nc(N)c(-c3nnco3)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000103266161 562822241 /nfs/dbraw/zinc/82/22/41/562822241.db2.gz PGVPAJGJNWPYEO-SFHVURJKSA-N 1 0 517.465 3.981 1 0 KHAFRO CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266168 562822186 /nfs/dbraw/zinc/82/21/86/562822186.db2.gz OYJDZOOZHGNEHH-SFHVURJKSA-N 1 0 545.475 3.929 1 0 KHAFRO CCNc1nnc(-c2cnc(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(F)(F)F)n2)o1 ZINC000103266206 562822219 /nfs/dbraw/zinc/82/22/19/562822219.db2.gz LBPUQNFLUJTXNI-HNNXBMFYSA-N 1 0 609.057 3.813 1 0 KHAFRO CCNc1nnc(-c2cnc(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C3CC3)n2)o1 ZINC000103266214 562822284 /nfs/dbraw/zinc/82/22/84/562822284.db2.gz FNWLOJIPAPLASC-SFHVURJKSA-N 1 0 581.125 3.672 1 0 KHAFRO CCNc1nnc(-c2cnc(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(C)C)n2)o1 ZINC000103266217 562822290 /nfs/dbraw/zinc/82/22/90/562822290.db2.gz PLTNLBRLQFIGTL-SFHVURJKSA-N 1 0 583.141 3.918 1 0 KHAFRO CC[C@H]1CN(c2ncc(-c3nnc(N)o3)nc2C)[C@H](C)C[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266245 562822281 /nfs/dbraw/zinc/82/22/81/562822281.db2.gz PATAHDLWOUIKMS-UZLBHIALSA-N 1 0 525.057 3.665 1 0 KHAFRO CC[C@H]1CN(c2ncc(-c3nc[nH]n3)nc2C)[C@H](C)C[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266981 562822371 /nfs/dbraw/zinc/82/23/71/562822371.db2.gz CKMASVQQGFXGPL-UTKZUKDTSA-N 1 0 509.058 3.817 1 0 KHAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)c(OC)c4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103285418 562823792 /nfs/dbraw/zinc/82/37/92/562823792.db2.gz DUDFWGDXPRDGEH-VWLOTQADSA-N 1 0 568.682 3.714 1 0 KHAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(CC[NH+]5CCN(C)CC5)cc4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103287243 562823869 /nfs/dbraw/zinc/82/38/69/562823869.db2.gz NHCQCTRJCYFSFH-NDEPHWFRSA-N 1 0 566.710 3.744 1 0 KHAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4cccc(N5CC[NH+](C)CC5)c4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103287246 562823876 /nfs/dbraw/zinc/82/38/76/562823876.db2.gz ZERRYWSZOPNVOR-SANMLTNESA-N 1 0 538.656 3.706 1 0 KHAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103287249 562823887 /nfs/dbraw/zinc/82/38/87/562823887.db2.gz PYBABMFTQNANEK-SANMLTNESA-N 1 0 538.656 3.706 1 0 KHAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103287254 562823867 /nfs/dbraw/zinc/82/38/67/562823867.db2.gz ZIETVRSYZYJSDW-VWLOTQADSA-N 1 0 568.682 3.714 1 0 KHAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(C3CCCCC3)C2=O)C1 ZINC000103287259 562823852 /nfs/dbraw/zinc/82/38/52/562823852.db2.gz KLXWCPIRHYKNRS-VWLOTQADSA-N 1 0 574.730 3.842 1 0 KHAFRO C=CC(=O)N1CC[C@@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(Cc3ccccc3)C2=O)C1 ZINC000103287268 562823878 /nfs/dbraw/zinc/82/38/78/562823878.db2.gz ANOJHRBABLZKIY-AREMUKBSSA-N 1 0 582.709 3.710 1 0 KHAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(Cc3ccccc3)C2=O)C1 ZINC000103287270 562823889 /nfs/dbraw/zinc/82/38/89/562823889.db2.gz ANOJHRBABLZKIY-SANMLTNESA-N 1 0 582.709 3.710 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1 ZINC000103297252 562824600 /nfs/dbraw/zinc/82/46/00/562824600.db2.gz JJARSALEJXMFKK-UHFFFAOYSA-N 1 0 512.626 3.874 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1 ZINC000103297651 562824631 /nfs/dbraw/zinc/82/46/31/562824631.db2.gz PWXSXDYNNANOIK-UHFFFAOYSA-N 1 0 556.679 3.890 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c(-c2cccc3ccccc32)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000103297961 562824652 /nfs/dbraw/zinc/82/46/52/562824652.db2.gz OXBGBCPJFMDEOO-NSOVKSMOSA-N 1 0 626.762 3.730 1 0 KHAFRO Cc1ccc(-c2nc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C(=O)NCc3ccccc3)c[nH]2)cc1 ZINC000103298028 562824671 /nfs/dbraw/zinc/82/46/71/562824671.db2.gz OYJJWFJKWDRXKC-XCZPVHLTSA-N 1 0 520.637 3.780 1 0 KHAFRO COC(=O)[C@H](Cc1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000103298065 562824754 /nfs/dbraw/zinc/82/47/54/562824754.db2.gz ZOBCACZVBWDCNV-BDYUSTAISA-N 1 0 507.594 3.995 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c(-c2ccc(C(C)(C)C)cc2)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000103298079 562824723 /nfs/dbraw/zinc/82/47/23/562824723.db2.gz UBEWYJPPGNLXED-SVBPBHIXSA-N 1 0 632.810 3.874 1 0 KHAFRO C[NH2+]C[C@@H]1C=CN(C(=[NH2+])NC2CCCCC2)C[C@@]12[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCCCC4=O ZINC000103524630 291811261 /nfs/dbraw/zinc/81/12/61/291811261.db2.gz QSEAIXIBADNEME-GIEHVYLLSA-N 1 0 524.706 3.570 1 0 biogenic,in-vitro KHAFRO NC1=[NH+]CC[C@H](C(=CC(=O)[O-])[C@H](CC[C@H](CCCCCCCCCCO)Cc2ccc(=O)[nH]c2)NC2=[NH+]CC=C2)N1 ZINC000103563433 291821037 /nfs/dbraw/zinc/82/10/37/291821037.db2.gz WGOMLPVQJSINPR-BZCDBJFFSA-N 1 0 566.747 3.885 1 0 biogenic,in-vitro KHAFRO O=C(c1nn([C@@H]2CCC[N@H+](CCC3CCCCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940292 562825599 /nfs/dbraw/zinc/82/55/99/562825599.db2.gz TWSFAEOUABXTKC-JOCHJYFZSA-N 1 0 526.703 3.917 1 0 KHAFRO O=C(c1nn([C@H]2CCC[N@H+](CCC3CCCCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940295 562825580 /nfs/dbraw/zinc/82/55/80/562825580.db2.gz TWSFAEOUABXTKC-QFIPXVFZSA-N 1 0 526.703 3.917 1 0 KHAFRO O=C(c1nn(-c2ccc(C[NH+]3CCC(F)(F)CC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941718 562825839 /nfs/dbraw/zinc/82/58/39/562825839.db2.gz XEBPQXAZUWVEBS-UHFFFAOYSA-N 1 0 542.608 3.530 1 0 KHAFRO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C1 ZINC000112942945 562825995 /nfs/dbraw/zinc/82/59/95/562825995.db2.gz QINAYZWLPHRNRP-RUZDIDTESA-N 1 0 578.735 3.936 1 0 KHAFRO CC(C)CCO[C@H]1CC[N@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C1 ZINC000112942948 562825973 /nfs/dbraw/zinc/82/59/73/562825973.db2.gz QINAYZWLPHRNRP-VWLOTQADSA-N 1 0 578.735 3.936 1 0 KHAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N3CC[C@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000113089244 562826140 /nfs/dbraw/zinc/82/61/40/562826140.db2.gz MJXIVXWYUJCNOA-WNCULLNHSA-N 1 0 518.637 3.624 1 0 KHAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000113089261 562826101 /nfs/dbraw/zinc/82/61/01/562826101.db2.gz MJXIVXWYUJCNOA-YIXXDRMTSA-N 1 0 518.637 3.624 1 0 KHAFRO COc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CC[NH2+]3)cc2)c(OC)c1 ZINC000113089266 562826147 /nfs/dbraw/zinc/82/61/47/562826147.db2.gz YFSNFIXYMKIRDC-RUZDIDTESA-N 1 0 501.562 3.817 1 0 KHAFRO COc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CC[NH2+]3)cc2)cc1OC ZINC000113090000 562826176 /nfs/dbraw/zinc/82/61/76/562826176.db2.gz TXRXSDHNHNAHPA-XMMPIXPASA-N 1 0 501.562 3.817 1 0 KHAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000113090436 562826178 /nfs/dbraw/zinc/82/61/78/562826178.db2.gz KPOIOGZLTSWGTK-AREMUKBSSA-N 1 0 507.610 3.814 1 0 KHAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N[C@H](CCO)c3ccccc3)C2)C2CC2)c2ccccc21 ZINC000113096220 562826232 /nfs/dbraw/zinc/82/62/32/562826232.db2.gz LVNFXHICSIKQME-BOCWGRARSA-N 1 0 546.712 3.634 1 0 KHAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(c2ccc(C(C)C)c(OCCCOC)n2)C2CC2)C1 ZINC000113097054 562826197 /nfs/dbraw/zinc/82/61/97/562826197.db2.gz OVUGSPCSDXUBEX-RBZQAINGSA-N 1 0 546.753 3.909 1 0 KHAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cn2)C2CC2)C1 ZINC000113097483 562826215 /nfs/dbraw/zinc/82/62/15/562826215.db2.gz AGGLFFAESNTUFS-RBZQAINGSA-N 1 0 546.753 3.909 1 0 KHAFRO CCc1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 ZINC000113476199 562826457 /nfs/dbraw/zinc/82/64/57/562826457.db2.gz PLJCWSVYWYYAAC-SDJJKBCASA-N 1 0 564.779 3.512 1 0 KHAFRO CCc1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)c(C)c2)nc1N[C@H]1CC[C@](C)(O)CC1 ZINC000113476201 562826460 /nfs/dbraw/zinc/82/64/60/562826460.db2.gz PLJCWSVYWYYAAC-OCUBCVOHSA-N 1 0 564.779 3.512 1 0 KHAFRO CCc1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)c(C)c2)nc1NC1CCC(O)(CC)CC1 ZINC000113476353 562826465 /nfs/dbraw/zinc/82/64/65/562826465.db2.gz IBUKZWFJDDXRON-UHFFFAOYSA-N 1 0 578.806 3.902 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn3)nc2n1C1CCCC1 ZINC000113524049 562826619 /nfs/dbraw/zinc/82/66/19/562826619.db2.gz WPTNHXKUYYITBY-UHFFFAOYSA-N 1 0 504.639 3.553 1 0 KHAFRO CC(C)OCC[NH+]1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1 ZINC000113524547 562826606 /nfs/dbraw/zinc/82/66/06/562826606.db2.gz CTFLYIFHIVSZQN-UHFFFAOYSA-N 1 0 520.682 3.934 1 0 KHAFRO C[C@@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CC[NH+](C)C)C3=O ZINC000113834235 562826841 /nfs/dbraw/zinc/82/68/41/562826841.db2.gz BNPMMVDYMYENIM-HNNXBMFYSA-N 1 0 506.557 3.757 1 0 KHAFRO C[C@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CC[NH+](C)C)C3=O ZINC000113834237 562826820 /nfs/dbraw/zinc/82/68/20/562826820.db2.gz BNPMMVDYMYENIM-OAHLLOKOSA-N 1 0 506.557 3.757 1 0 KHAFRO C[C@@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C1CC[NH+](C)CC1)C3=O ZINC000113834531 562826846 /nfs/dbraw/zinc/82/68/46/562826846.db2.gz UDXFCKQHYWOCHB-HNNXBMFYSA-N 1 0 546.578 3.930 1 0 KHAFRO C[C@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C1CC[NH+](C)CC1)C3=O ZINC000113834534 562826831 /nfs/dbraw/zinc/82/68/31/562826831.db2.gz UDXFCKQHYWOCHB-OAHLLOKOSA-N 1 0 546.578 3.930 1 0 KHAFRO Cc1ccc(OC2CCN(C(=O)c3cc4c5c(cnn5C5CC[NH+](C)CC5)c(=O)[nH]c4cc3C)CC2)nc1 ZINC000113902310 562826896 /nfs/dbraw/zinc/82/68/96/562826896.db2.gz FRZLNLJCGOPEID-UHFFFAOYSA-N 1 0 514.630 3.840 1 0 KHAFRO CCc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)o1 ZINC000114179498 562827798 /nfs/dbraw/zinc/82/77/98/562827798.db2.gz XIHKIXZXTKKYHU-SJORKVTESA-N 1 0 527.670 3.513 1 0 KHAFRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)n[nH]c2C1(C)C ZINC000114179693 562827789 /nfs/dbraw/zinc/82/77/89/562827789.db2.gz QFXORRBVFONNKF-HOCLYGCPSA-N 1 0 506.529 3.900 1 0 KHAFRO CCCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)no1 ZINC000114181480 562827781 /nfs/dbraw/zinc/82/77/81/562827781.db2.gz ZFOMTGHGPDFYSE-MSOLQXFVSA-N 1 0 527.670 3.594 1 0 KHAFRO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cc(C5CC5)on4)n[nH]c3C2(C)C)[C@@H](C)C[N@@H+]1CC1CCOCC1 ZINC000114182053 562827898 /nfs/dbraw/zinc/82/78/98/562827898.db2.gz IHNCBCKYYHOQRX-SJORKVTESA-N 1 0 525.654 3.519 1 0 KHAFRO CCc1nc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)cs1 ZINC000114182265 562827892 /nfs/dbraw/zinc/82/78/92/562827892.db2.gz XAQPXIVMGWYWTL-SJORKVTESA-N 1 0 529.711 3.673 1 0 KHAFRO Cc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)s1 ZINC000114184261 562827866 /nfs/dbraw/zinc/82/78/66/562827866.db2.gz OVQIYJJDLGXOMY-CVEARBPZSA-N 1 0 529.711 3.727 1 0 KHAFRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cccc(OC(F)(F)F)c3)n[nH]c2C1(C)C ZINC000114192142 562827955 /nfs/dbraw/zinc/82/79/55/562827955.db2.gz TYGMDALSIBDNJP-HOCLYGCPSA-N 1 0 506.529 3.900 1 0 KHAFRO C[NH+](C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N3CCCC3)c2)c1 ZINC000114345424 562827976 /nfs/dbraw/zinc/82/79/76/562827976.db2.gz VWYGEDAFWDXUMQ-XMMPIXPASA-N 1 0 524.629 3.691 1 0 KHAFRO C[NH+](C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N3CCCC3)c2)c1 ZINC000114345426 562828000 /nfs/dbraw/zinc/82/80/00/562828000.db2.gz VWYGEDAFWDXUMQ-DEOSSOPVSA-N 1 0 524.629 3.691 1 0 KHAFRO C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000114345873 562827995 /nfs/dbraw/zinc/82/79/95/562827995.db2.gz PNFSXOCCWZKQET-LJQANCHMSA-N 1 0 509.614 3.906 1 0 KHAFRO C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000114345875 562828002 /nfs/dbraw/zinc/82/80/02/562828002.db2.gz PNFSXOCCWZKQET-IBGZPJMESA-N 1 0 509.614 3.906 1 0 KHAFRO C[NH+]1CCN(CCOc2cccc(NC(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2)CC1 ZINC000114345937 562827991 /nfs/dbraw/zinc/82/79/91/562827991.db2.gz BMBRORMYOGZNDI-UHFFFAOYSA-N 1 0 554.655 3.611 1 0 KHAFRO C[NH+](C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cncc(N3CCCC3)c2)c1 ZINC000114346281 562828011 /nfs/dbraw/zinc/82/80/11/562828011.db2.gz DCRRXSUQGXVDLQ-RUZDIDTESA-N 1 0 524.629 3.691 1 0 KHAFRO C[NH+](C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cncc(N3CCCC3)c2)c1 ZINC000114346283 562828033 /nfs/dbraw/zinc/82/80/33/562828033.db2.gz DCRRXSUQGXVDLQ-VWLOTQADSA-N 1 0 524.629 3.691 1 0 KHAFRO COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(OCCC[NH+](C)C)cc34)c2)cc1 ZINC000114347075 562828045 /nfs/dbraw/zinc/82/80/45/562828045.db2.gz YEDBJKRVUNJEML-UHFFFAOYSA-N 1 0 528.613 3.932 1 0 KHAFRO NC(=O)c1cc(OCCC[N@@H+]2CCC[C@H]2CO)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 ZINC000114350002 562828120 /nfs/dbraw/zinc/82/81/20/562828120.db2.gz LTTWDGKJGMQNHP-SFHVURJKSA-N 1 0 503.525 3.585 1 0 KHAFRO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])nnc2[C@@H](Cc2ccccc2)NC=O)cc1 ZINC000114496731 562828197 /nfs/dbraw/zinc/82/81/97/562828197.db2.gz DVBPDCTXXKIINT-FQLXRVMXSA-N 1 0 579.705 3.983 1 0 KHAFRO O=c1ccc2c([C@@H](O)C[NH2+]CCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 ZINC000114569581 562828352 /nfs/dbraw/zinc/82/83/52/562828352.db2.gz GPANSMBREMKPKY-LJAQVGFWSA-N 1 0 544.652 3.554 1 0 KHAFRO NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)N3CCC(C(=O)[O-])CC3)c2)cc1 ZINC000114707049 562828417 /nfs/dbraw/zinc/82/84/17/562828417.db2.gz KKJOBLWYAPPKGT-UHFFFAOYSA-N 1 0 501.543 3.776 1 0 KHAFRO Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@H]3CC[C@@H]([NH+]4CCC(C(=O)N(C)C)CC4)CC3)cc12 ZINC000114711961 562828416 /nfs/dbraw/zinc/82/84/16/562828416.db2.gz HCKLHNWTXYXUOH-MXVIHJGJSA-N 1 0 501.697 3.599 1 0 KHAFRO CCCC[N@H+](C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C ZINC000114775088 562828507 /nfs/dbraw/zinc/82/85/07/562828507.db2.gz AYGKUFKYYOKPQX-NRFANRHFSA-N 1 0 530.691 3.724 1 0 KHAFRO CCc1cc(-c2noc(-c3cc(C)c(C[N@H+](C)CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000114775141 562828474 /nfs/dbraw/zinc/82/84/74/562828474.db2.gz GHEKPOPATTZHPU-NRFANRHFSA-N 1 0 530.691 3.580 1 0 KHAFRO CCC[N@H+](C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1CC ZINC000114775416 562828467 /nfs/dbraw/zinc/82/84/67/562828467.db2.gz YXJLBZSOQPOXSH-NRFANRHFSA-N 1 0 530.691 3.588 1 0 KHAFRO O=C(c1cc2cccc(N3CC[NH+](CCc4ccccn4)CC3)c2o1)N1CCN(c2nccs2)CC1 ZINC000114867746 562828510 /nfs/dbraw/zinc/82/85/10/562828510.db2.gz HIJXAWSRTHSZGL-UHFFFAOYSA-N 1 0 502.644 3.611 1 0 KHAFRO CS(=O)(=O)Cc1ccc(CNC(=O)c2cc3cccc(N4CC[NH+](CCc5ccccn5)CC4)c3o2)cc1 ZINC000114868218 562828499 /nfs/dbraw/zinc/82/84/99/562828499.db2.gz KRXGOHJXVLYVSO-UHFFFAOYSA-N 1 0 532.666 3.667 1 0 KHAFRO CN(Cc1cccc(S(C)(=O)=O)c1)C(=O)c1cc2cccc(N3CC[NH+](CCc4ccccn4)CC3)c2o1 ZINC000114869942 562828489 /nfs/dbraw/zinc/82/84/89/562828489.db2.gz BGPFUQDEHMKOKJ-UHFFFAOYSA-N 1 0 532.666 3.868 1 0 KHAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)N1CCNCC1 ZINC000114974996 562828545 /nfs/dbraw/zinc/82/85/45/562828545.db2.gz ICDHRPUTNJRICH-RUZDIDTESA-N 1 0 504.096 3.653 1 0 KHAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)N1CCNCC1 ZINC000114974999 562828543 /nfs/dbraw/zinc/82/85/43/562828543.db2.gz ICDHRPUTNJRICH-VWLOTQADSA-N 1 0 504.096 3.653 1 0 KHAFRO CCOC(=O)N1CCN(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000114978252 562828540 /nfs/dbraw/zinc/82/85/40/562828540.db2.gz MTNSAHRHOJCZGK-SANMLTNESA-N 1 0 577.147 3.636 1 0 KHAFRO CCOC(=O)N1CCN(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000114978254 562828554 /nfs/dbraw/zinc/82/85/54/562828554.db2.gz MTNSAHRHOJCZGK-AREMUKBSSA-N 1 0 577.147 3.636 1 0 KHAFRO Nc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000114979838 562828626 /nfs/dbraw/zinc/82/86/26/562828626.db2.gz PWBMARTVWYBAOQ-VWLOTQADSA-N 1 0 513.063 3.983 1 0 KHAFRO Nc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000114979840 562828610 /nfs/dbraw/zinc/82/86/10/562828610.db2.gz PWBMARTVWYBAOQ-RUZDIDTESA-N 1 0 513.063 3.983 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CC(F)(F)C2)[NH2+]CC3)cn1 ZINC000114980206 562828613 /nfs/dbraw/zinc/82/86/13/562828613.db2.gz JIBSGMNEMKZSAA-QHCPKHFHSA-N 1 0 537.032 3.985 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CC(F)(F)C2)[NH2+]CC3)cn1 ZINC000114980208 562828662 /nfs/dbraw/zinc/82/86/62/562828662.db2.gz JIBSGMNEMKZSAA-HSZRJFAPSA-N 1 0 537.032 3.985 1 0 KHAFRO CCCN1CCN(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000114980542 562828654 /nfs/dbraw/zinc/82/86/54/562828654.db2.gz SPBHLSMFXORRCQ-MHZLTWQESA-N 1 0 547.165 3.890 1 0 KHAFRO CCCN1CCN(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000114980544 562828666 /nfs/dbraw/zinc/82/86/66/562828666.db2.gz SPBHLSMFXORRCQ-HHHXNRCGSA-N 1 0 547.165 3.890 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000115178963 562828824 /nfs/dbraw/zinc/82/88/24/562828824.db2.gz QZWHOZRNHQUGBJ-DEOSSOPVSA-N 1 0 501.052 3.740 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000115178965 562828777 /nfs/dbraw/zinc/82/87/77/562828777.db2.gz QZWHOZRNHQUGBJ-XMMPIXPASA-N 1 0 501.052 3.740 1 0 KHAFRO COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH2+]CC4)cn3)c3nccnc23)c1F ZINC000115295175 562828776 /nfs/dbraw/zinc/82/87/76/562828776.db2.gz XNOQKRCZJXLTHH-UHFFFAOYSA-N 1 0 520.540 3.645 1 0 KHAFRO COCCOc1cc(CC2CC[NH+](CCc3ccc4c(c3)C(=O)[C@H](O)CO4)CC2)ccc1Br ZINC000115368681 562828798 /nfs/dbraw/zinc/82/87/98/562828798.db2.gz WTGAOGAKQZLWPW-HSZRJFAPSA-N 1 0 518.448 3.908 1 0 KHAFRO COCCOc1cc(CC2CC[NH+](CCc3ccc4c(c3)C(=O)[C@@H](O)CO4)CC2)ccc1Br ZINC000115368683 562828810 /nfs/dbraw/zinc/82/88/10/562828810.db2.gz WTGAOGAKQZLWPW-QHCPKHFHSA-N 1 0 518.448 3.908 1 0 KHAFRO CCc1cc(-c2noc(-c3ccc(C[N@H+](C)CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000115396481 562828888 /nfs/dbraw/zinc/82/88/88/562828888.db2.gz WFLRWGBFCBPIBC-VWLOTQADSA-N 1 0 524.662 3.519 1 0 KHAFRO CCc1cc(-c2noc(-c3cc(C)cc(C[N@H+](C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000115397270 562828910 /nfs/dbraw/zinc/82/89/10/562828910.db2.gz MRILPTODMZTGQK-VWLOTQADSA-N 1 0 524.662 3.519 1 0 KHAFRO CCCC[N@H+](C)Cc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C ZINC000115400370 562828914 /nfs/dbraw/zinc/82/89/14/562828914.db2.gz QTXROWXZNLZFDM-VWLOTQADSA-N 1 0 524.662 3.663 1 0 KHAFRO Cn1cnc2cc(-c3ccc(OC[C@@H]4CCC[N@@H+]4Cc4ccccc4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624626 562828971 /nfs/dbraw/zinc/82/89/71/562828971.db2.gz VSEWMMFDSNYUNS-ZCYQVOJMSA-N 1 0 525.653 3.858 1 0 KHAFRO Cn1cnc2cc(-c3ccc(OC[C@H]4CCC[N@@H+]4Cc4ccccc4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624628 562828979 /nfs/dbraw/zinc/82/89/79/562828979.db2.gz VSEWMMFDSNYUNS-UKILVPOCSA-N 1 0 525.653 3.858 1 0 KHAFRO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@@H+](C)C4)c(=O)[nH]n2)cccc1N1CCn2c(cc3ccccc32)C1=O ZINC000116053809 562829156 /nfs/dbraw/zinc/82/91/56/562829156.db2.gz BLYRQPFNJSQDQQ-UHFFFAOYSA-N 1 0 520.597 3.746 1 0 KHAFRO Cn1cc(-c2cccc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c1=O ZINC000116054027 562829179 /nfs/dbraw/zinc/82/91/79/562829179.db2.gz USAWUCOOXSXRMR-UHFFFAOYSA-N 1 0 593.732 3.776 1 0 KHAFRO Cn1cc(-c2cccc(N3CCc4c(cc5n4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c1=O ZINC000116054538 562829185 /nfs/dbraw/zinc/82/91/85/562829185.db2.gz MEABCMXYQOJEBM-UHFFFAOYSA-N 1 0 593.732 3.776 1 0 KHAFRO CC(C)[C@H]1CN(CC2CC[NH2+]CC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nnc[nH]4)c(F)c3)c2n1 ZINC000116179363 562829277 /nfs/dbraw/zinc/82/92/77/562829277.db2.gz GKJGGTPGIKIBKJ-JOCHJYFZSA-N 1 0 503.586 3.587 1 0 KHAFRO C[C@@H](Nc1cccc(Cl)c1F)c1cc(C(=O)NCC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116738971 562829513 /nfs/dbraw/zinc/82/95/13/562829513.db2.gz BVDGERTYPWXPSJ-MRXNPFEDSA-N 1 0 517.001 3.887 1 0 KHAFRO C[C@H](Nc1cccc(Cl)c1F)c1cc(C(=O)NCC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116738972 562829531 /nfs/dbraw/zinc/82/95/31/562829531.db2.gz BVDGERTYPWXPSJ-INIZCTEOSA-N 1 0 517.001 3.887 1 0 KHAFRO C[C@H](c1cc(C(=O)N(C)CC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21)N(C)c1ccc(F)cc1 ZINC000116740664 562829522 /nfs/dbraw/zinc/82/95/22/562829522.db2.gz AWZVLYNJFARKIK-LJQANCHMSA-N 1 0 510.610 3.600 1 0 KHAFRO C[C@@H](c1cc(C(=O)N(C)CC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21)N(C)c1ccc(F)cc1 ZINC000116740667 562829528 /nfs/dbraw/zinc/82/95/28/562829528.db2.gz AWZVLYNJFARKIK-IBGZPJMESA-N 1 0 510.610 3.600 1 0 KHAFRO Cc1cc(C(=O)NCC(F)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000116815534 562829555 /nfs/dbraw/zinc/82/95/55/562829555.db2.gz GSSCURHTCHTCBR-JOCHJYFZSA-N 1 0 548.034 3.941 1 0 KHAFRO Cc1cc(C(=O)N2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000116815582 562829560 /nfs/dbraw/zinc/82/95/60/562829560.db2.gz WQIBZQVCVFDQOC-XMMPIXPASA-N 1 0 524.065 3.792 1 0 KHAFRO Cc1cc(C[NH+]2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N4CCCC4)ccn3)CC2)ccc1Cl ZINC000116815871 562829553 /nfs/dbraw/zinc/82/95/53/562829553.db2.gz VFUAKEBITBBJCN-XMMPIXPASA-N 1 0 524.065 3.874 1 0 KHAFRO CCc1cc(C[NH+]2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C)n3)CC2)ccc1Cl ZINC000116820507 562829538 /nfs/dbraw/zinc/82/95/38/562829538.db2.gz KQCOGJOTIOGMPG-XMMPIXPASA-N 1 0 526.081 3.902 1 0 KHAFRO C[N@@H+]1CCCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 ZINC000117118642 562829696 /nfs/dbraw/zinc/82/96/96/562829696.db2.gz DFGBHCFPHAYFCW-UHFFFAOYSA-N 1 0 550.106 3.713 1 0 KHAFRO Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CC[NH2+]CC3)c2)cc1Cl ZINC000117320693 562829736 /nfs/dbraw/zinc/82/97/36/562829736.db2.gz PLFXFPSZSLXQFL-UHFFFAOYSA-N 1 0 509.463 3.640 1 0 KHAFRO CNc1nnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)s1 ZINC000117334431 562829723 /nfs/dbraw/zinc/82/97/23/562829723.db2.gz VNURUEHLKRSRCD-NRFANRHFSA-N 1 0 534.107 3.899 1 0 KHAFRO CNc1nnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)s1 ZINC000117334434 562829728 /nfs/dbraw/zinc/82/97/28/562829728.db2.gz VNURUEHLKRSRCD-OAQYLSRUSA-N 1 0 534.107 3.899 1 0 KHAFRO O=S(=O)(CCCN1CCOCC1)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117336697 562829720 /nfs/dbraw/zinc/82/97/20/562829720.db2.gz JHWWYSZPNIMACL-HHHXNRCGSA-N 1 0 548.149 3.669 1 0 KHAFRO O=S(=O)(CCCN1CCOCC1)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117336700 562829748 /nfs/dbraw/zinc/82/97/48/562829748.db2.gz JHWWYSZPNIMACL-MHZLTWQESA-N 1 0 548.149 3.669 1 0 KHAFRO CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)N(C(N)=[NH2+])CC2 ZINC000117337905 562829754 /nfs/dbraw/zinc/82/97/54/562829754.db2.gz SPIZQDOFMLJABW-QHCPKHFHSA-N 1 0 505.084 3.963 1 0 KHAFRO CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)N(C(N)=[NH2+])CC2 ZINC000117337907 562829735 /nfs/dbraw/zinc/82/97/35/562829735.db2.gz SPIZQDOFMLJABW-HSZRJFAPSA-N 1 0 505.084 3.963 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)c1 ZINC000117346913 562829788 /nfs/dbraw/zinc/82/97/88/562829788.db2.gz MWPOLMZMMCYAMO-DEOSSOPVSA-N 1 0 501.052 3.740 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)c1 ZINC000117346916 562829766 /nfs/dbraw/zinc/82/97/66/562829766.db2.gz MWPOLMZMMCYAMO-XMMPIXPASA-N 1 0 501.052 3.740 1 0 KHAFRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117683537 562829819 /nfs/dbraw/zinc/82/98/19/562829819.db2.gz RJOAAVPWGOLZSU-UHFFFAOYSA-N 1 0 520.663 3.948 1 0 KHAFRO C[NH+](C)CC(=O)N1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117689131 562829805 /nfs/dbraw/zinc/82/98/05/562829805.db2.gz DJMXSTXUOFSZSZ-UHFFFAOYSA-N 1 0 517.613 3.583 1 0 KHAFRO Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH2+]CC4)ccn32)n1 ZINC000117877264 562829892 /nfs/dbraw/zinc/82/98/92/562829892.db2.gz CAXKGVJOTNGAST-UHFFFAOYSA-N 1 0 550.667 3.849 1 0 KHAFRO CCc1nn(Cc2nc(C)cs2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117878407 562829875 /nfs/dbraw/zinc/82/98/75/562829875.db2.gz UUBIFSFENVYIKI-UHFFFAOYSA-N 1 0 558.712 3.938 1 0 KHAFRO CCn1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)n1 ZINC000117879462 562829920 /nfs/dbraw/zinc/82/99/20/562829920.db2.gz MFKOCGITFPBMOA-UHFFFAOYSA-N 1 0 567.698 3.705 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N[C@@H]5CC[N@H+](C)C5)ccn43)c12 ZINC000117879776 562829899 /nfs/dbraw/zinc/82/98/99/562829899.db2.gz GXEOVLLINHXMNO-JOCHJYFZSA-N 1 0 536.640 3.684 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N[C@H]5CC[N@H+](C)C5)ccn43)c12 ZINC000117879778 562829916 /nfs/dbraw/zinc/82/99/16/562829916.db2.gz GXEOVLLINHXMNO-QFIPXVFZSA-N 1 0 536.640 3.684 1 0 KHAFRO CCc1nn(Cc2nccs2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117879950 562829932 /nfs/dbraw/zinc/82/99/32/562829932.db2.gz KLSUKMJBPGUGJF-UHFFFAOYSA-N 1 0 544.685 3.630 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CN5CC[NH+](C)CC5)ccn43)c12 ZINC000117883516 562829902 /nfs/dbraw/zinc/82/99/02/562829902.db2.gz ULKSYLSNHQPJQA-UHFFFAOYSA-N 1 0 522.657 3.998 1 0 KHAFRO CCc1nn(Cc2ccc(F)cn2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117883522 562829980 /nfs/dbraw/zinc/82/99/80/562829980.db2.gz VBWSYUAKXRZVQI-UHFFFAOYSA-N 1 0 556.646 3.707 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CN5CC[NH2+]CC5)ccn43)c12 ZINC000117885241 562829952 /nfs/dbraw/zinc/82/99/52/562829952.db2.gz SQSFILYXDVLRJJ-UHFFFAOYSA-N 1 0 508.630 3.656 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@@H]5C[NH2+]CCO5)ccn43)c12 ZINC000117885471 562829968 /nfs/dbraw/zinc/82/99/68/562829968.db2.gz BUAIQVYIPDXNCJ-QFIPXVFZSA-N 1 0 525.613 3.618 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@H]5C[NH2+]CCO5)ccn43)c12 ZINC000117885473 562829975 /nfs/dbraw/zinc/82/99/75/562829975.db2.gz BUAIQVYIPDXNCJ-JOCHJYFZSA-N 1 0 525.613 3.618 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH2+]CC5)ccn43)c12 ZINC000117887809 562829983 /nfs/dbraw/zinc/82/99/83/562829983.db2.gz VIIPUMFRADEZHH-UHFFFAOYSA-N 1 0 538.656 3.534 1 0 KHAFRO CCc1nn(Cc2csc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117887971 562829940 /nfs/dbraw/zinc/82/99/40/562829940.db2.gz OYSJUNNZMYPPDD-UHFFFAOYSA-N 1 0 558.712 3.938 1 0 KHAFRO Cc1nnc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)s1 ZINC000117892653 562830036 /nfs/dbraw/zinc/83/00/36/562830036.db2.gz WAEULDKXPICBAH-UHFFFAOYSA-N 1 0 571.711 3.648 1 0 KHAFRO CCc1nn(Cc2ccc(C)nc2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117894947 562830028 /nfs/dbraw/zinc/83/00/28/562830028.db2.gz MUQOZFSJWOZKIK-UHFFFAOYSA-N 1 0 552.683 3.877 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@@H]5[C@@H](O)CC[N@@H+]5C)ccn43)c12 ZINC000117896646 562830050 /nfs/dbraw/zinc/83/00/50/562830050.db2.gz HELCPFDQBXVHLR-SXOMAYOGSA-N 1 0 539.640 3.694 1 0 KHAFRO Cc1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)co1 ZINC000117896824 562830017 /nfs/dbraw/zinc/83/00/17/562830017.db2.gz IITXCSGLGPACEA-UHFFFAOYSA-N 1 0 554.655 3.785 1 0 KHAFRO Cc1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)ccc1O ZINC000117896858 562830032 /nfs/dbraw/zinc/83/00/32/562830032.db2.gz ATYXRXQIWBNAQW-UHFFFAOYSA-N 1 0 580.693 3.897 1 0 KHAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCOCC3)CC2)cc(C)c1O ZINC000117997024 562830079 /nfs/dbraw/zinc/83/00/79/562830079.db2.gz HTLWMOKBJQKDIJ-WJOKGBTCSA-N 1 0 633.790 3.935 1 0 KHAFRO CNC(=O)N1CCN(c2[nH+]c3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)CC1 ZINC000118098097 562830208 /nfs/dbraw/zinc/83/02/08/562830208.db2.gz XHVSXMIIXJFKRH-UHFFFAOYSA-N 1 0 593.679 3.714 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@]5(CCC[NH2+]CC5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118582305 562830382 /nfs/dbraw/zinc/83/03/82/562830382.db2.gz SBXGKKOSDIUNGQ-MHZLTWQESA-N 1 0 518.622 3.856 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5(C[NH2+]C5)CC4)cn3)nc2n1C1CCCCCC1 ZINC000118583111 562830376 /nfs/dbraw/zinc/83/03/76/562830376.db2.gz JFBMZUGLNFOQBA-UHFFFAOYSA-N 1 0 530.677 3.993 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@@H+]5CCC[C@@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118584648 562830347 /nfs/dbraw/zinc/83/03/47/562830347.db2.gz BXXWHFGJPHSCSJ-OAQYLSRUSA-N 1 0 502.623 3.588 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5C[NH2+]C[C@H]5CC4=O)cn3)nc2n1C1CCCCCC1 ZINC000118584998 562830379 /nfs/dbraw/zinc/83/03/79/562830379.db2.gz BXALLQBVYDONPU-UYAOXDASSA-N 1 0 516.650 3.739 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC[C@@H]5CC[NH2+][C@@H]5C4)cn3)nc2n1C1CCCC1 ZINC000118587365 562830411 /nfs/dbraw/zinc/83/04/11/562830411.db2.gz NDHWUUBJAUPCBT-XMSQKQJNSA-N 1 0 516.650 3.601 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCCC5(CC[NH2+]CC5)C4=O)cn3)nc2n1C1CCCC1 ZINC000118587775 562830420 /nfs/dbraw/zinc/83/04/20/562830420.db2.gz VOCUQDNMILJPDL-UHFFFAOYSA-N 1 0 516.650 3.883 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5C[NH2+]C[C@@H]5CC4=O)cn3)nc2n1C1CCCCCC1 ZINC000118588057 562830387 /nfs/dbraw/zinc/83/03/87/562830387.db2.gz BXALLQBVYDONPU-ICSRJNTNSA-N 1 0 516.650 3.739 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCC[NH2+]CC5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118588579 562830417 /nfs/dbraw/zinc/83/04/17/562830417.db2.gz SBXGKKOSDIUNGQ-HHHXNRCGSA-N 1 0 518.622 3.856 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@@H+]5CCC[C@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118588692 562830412 /nfs/dbraw/zinc/83/04/12/562830412.db2.gz BXXWHFGJPHSCSJ-NRFANRHFSA-N 1 0 502.623 3.588 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1C1CCCCCC1 ZINC000118589239 562830389 /nfs/dbraw/zinc/83/03/89/562830389.db2.gz BNXVQCFHGPTGJT-OYRHEFFESA-N 1 0 516.650 3.743 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@H](CC4=O)[N@@H+]5C)cn3)nc2n1C1CCCC1 ZINC000118592217 562830424 /nfs/dbraw/zinc/83/04/24/562830424.db2.gz FIMQVRFSGKERNW-CTNGQTDRSA-N 1 0 502.623 3.586 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)[NH2+]5)cn3)nc2n1C1CCCCC1 ZINC000118593173 562830462 /nfs/dbraw/zinc/83/04/62/562830462.db2.gz KSBSIXFKBIRVML-RBUKOAKNSA-N 1 0 502.623 3.634 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)C5[NH+](C)C)cn3)nc2n1C1CCCC1 ZINC000118593476 562830443 /nfs/dbraw/zinc/83/04/43/562830443.db2.gz MUTDVTPBZIPMQD-WPUZRXDDSA-N 1 0 530.677 3.799 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@H](CC4=O)[NH2+]5)cn3)nc2n1C1CCCCC1 ZINC000118594227 562830428 /nfs/dbraw/zinc/83/04/28/562830428.db2.gz KSBSIXFKBIRVML-MOPGFXCFSA-N 1 0 502.623 3.634 1 0 KHAFRO COc1ccc(CC(=O)N2CCC3(C[NH+]([C@@H]4CCc5cc(-c6cc(C)ncn6)ccc54)C3)CC2)c(C(N)=O)c1 ZINC000118890364 562830811 /nfs/dbraw/zinc/83/08/11/562830811.db2.gz RRQQEAJYJXDKQC-MUUNZHRXSA-N 1 0 525.653 3.714 1 0 KHAFRO Cc1cc(-c2ccc3c(c2)CC[C@H]3[NH+]2CC3(C2)CCN(C(=O)Cc2nn(C)c4ncccc24)CC3)ncn1 ZINC000118905238 562830809 /nfs/dbraw/zinc/83/08/09/562830809.db2.gz MGFASSGEYPHPRF-HHHXNRCGSA-N 1 0 507.642 3.888 1 0 KHAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000137066839 562831303 /nfs/dbraw/zinc/83/13/03/562831303.db2.gz HRSKRFLJBFZQHV-QUAHOIDUSA-N 1 0 547.696 3.534 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000137468983 562831480 /nfs/dbraw/zinc/83/14/80/562831480.db2.gz VIXULTRKHNJGCZ-AAAUCYHNSA-N 1 0 593.813 3.608 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000137469046 562831486 /nfs/dbraw/zinc/83/14/86/562831486.db2.gz VIXULTRKHNJGCZ-YDJWKNINSA-N 1 0 593.813 3.608 1 0 KHAFRO Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(S(=O)(=O)NCC[NH+](C)C)c3)nc12 ZINC000137594051 562831508 /nfs/dbraw/zinc/83/15/08/562831508.db2.gz GFXCTQSIXXAOBE-UHFFFAOYSA-N 1 0 513.023 3.943 1 0 KHAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)Nc1cn([C@@](C)(C(=O)N2CCCC2)c2ccc(F)cc2)cn1 ZINC000137783637 562831553 /nfs/dbraw/zinc/83/15/53/562831553.db2.gz WIMUBYAUCCQWLQ-OOWIMERYSA-N 1 0 562.690 3.592 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H]1CCC[NH2+]1)ncnc2Nc1ccc(Br)cc1F ZINC000137847361 562831541 /nfs/dbraw/zinc/83/15/41/562831541.db2.gz HFETUOIHWSJPSY-SFHVURJKSA-N 1 0 543.397 3.647 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H]1CCC[NH2+]1)ncnc2Nc1ccc(Br)cc1F ZINC000137847464 562831548 /nfs/dbraw/zinc/83/15/48/562831548.db2.gz HFETUOIHWSJPSY-GOSISDBHSA-N 1 0 543.397 3.647 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H]1CCC[N@H+]1C)ncnc2Nc1ccc(Br)cc1F ZINC000137847575 562831586 /nfs/dbraw/zinc/83/15/86/562831586.db2.gz QKEQHMZWPIXXEY-OAQYLSRUSA-N 1 0 557.424 3.989 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H]1CCC[N@H+]1C)ncnc2Nc1ccc(Br)cc1F ZINC000137847697 562831604 /nfs/dbraw/zinc/83/16/04/562831604.db2.gz QKEQHMZWPIXXEY-NRFANRHFSA-N 1 0 557.424 3.989 1 0 KHAFRO COc1cc(N2CC[NH+](CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000137849348 562831580 /nfs/dbraw/zinc/83/15/80/562831580.db2.gz CBCRRZVVZMJUTF-UHFFFAOYSA-N 1 0 530.997 3.988 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCCNC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137870947 562831596 /nfs/dbraw/zinc/83/15/96/562831596.db2.gz SUPFKVRCENJLNR-UHFFFAOYSA-N 1 0 545.413 3.846 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCC[NH2+]CC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137919529 562831678 /nfs/dbraw/zinc/83/16/78/562831678.db2.gz BJQOPTDJQILKBE-UHFFFAOYSA-N 1 0 502.344 3.957 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[N@@H+](C)CC)ncnc2Nc1ccc(Br)cc1F ZINC000137919637 562831681 /nfs/dbraw/zinc/83/16/81/562831681.db2.gz KBHOZTNSGNVWQF-UHFFFAOYSA-N 1 0 545.413 3.846 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H](C)[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137919867 562831673 /nfs/dbraw/zinc/83/16/73/562831673.db2.gz FROYTOQPRFQLJH-AWEZNQCLSA-N 1 0 545.413 3.845 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H](C)[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137919961 562831671 /nfs/dbraw/zinc/83/16/71/562831671.db2.gz FROYTOQPRFQLJH-CQSZACIVSA-N 1 0 545.413 3.845 1 0 KHAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H]([NH2+]Cc3cccc(C(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138324353 562831820 /nfs/dbraw/zinc/83/18/20/562831820.db2.gz WHGCVYRLVFZOSN-JUZXMZQFSA-N 1 0 546.627 3.928 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(CC(N)=O)c2)n1 ZINC000138498156 562831995 /nfs/dbraw/zinc/83/19/95/562831995.db2.gz DKMATSARCHXUAS-UHFFFAOYSA-N 1 0 558.561 3.892 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(C(N)=O)c2)n1 ZINC000138498414 562831993 /nfs/dbraw/zinc/83/19/93/562831993.db2.gz GAGZRFHIHVBZHU-UHFFFAOYSA-N 1 0 544.534 3.963 1 0 KHAFRO CCc1cnc(-c2ccc(N3CCN(C(=O)C[N@@H+]4CC[C@@H](C(=O)Nc5ccc(O)c(Cl)c5)C4)CC3)cc2)nc1 ZINC000138505281 562831981 /nfs/dbraw/zinc/83/19/81/562831981.db2.gz RMWIFGBVICWWOL-JOCHJYFZSA-N 1 0 549.075 3.674 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@@H]2CCCO2)n1 ZINC000138508466 562831986 /nfs/dbraw/zinc/83/19/86/562831986.db2.gz XLPVPBJNIDNXTL-KRWDZBQOSA-N 1 0 509.529 3.629 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@H]2CCCO2)n1 ZINC000138508591 562831979 /nfs/dbraw/zinc/83/19/79/562831979.db2.gz XLPVPBJNIDNXTL-QGZVFWFLSA-N 1 0 509.529 3.629 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000139076293 562832339 /nfs/dbraw/zinc/83/23/39/562832339.db2.gz LXGVFBXRKSCESU-GDLZYMKVSA-N 1 0 516.598 3.733 1 0 KHAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCC([NH+]4CCCCC4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000139079173 562832319 /nfs/dbraw/zinc/83/23/19/562832319.db2.gz BBTZNRYIQTVBSF-NRFANRHFSA-N 1 0 532.689 3.873 1 0 KHAFRO CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000139082092 562832340 /nfs/dbraw/zinc/83/23/40/562832340.db2.gz SCDFUEMRXCQRSO-AYWVHJORSA-N 1 0 530.625 3.997 1 0 KHAFRO CC[N@H+](CCCCO)CC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 ZINC000139141659 562832360 /nfs/dbraw/zinc/83/23/60/562832360.db2.gz FPALMJUTIVAABD-UHFFFAOYSA-N 1 0 557.433 3.621 1 0 KHAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)C[NH2+]C3CCC3)nc2N)cc1I ZINC000139187577 562832380 /nfs/dbraw/zinc/83/23/80/562832380.db2.gz MCYKOMITYHECLO-UHFFFAOYSA-N 1 0 511.364 3.668 1 0 KHAFRO C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(C[NH2+]C4CCOCC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139501213 562832554 /nfs/dbraw/zinc/83/25/54/562832554.db2.gz OLIOLFHYHAAHAB-PMACEKPBSA-N 1 0 536.652 3.550 1 0 KHAFRO CN1c2ccc(OCCC[N@H+](CCc3cccnc3)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139536038 562832604 /nfs/dbraw/zinc/83/26/04/562832604.db2.gz BCTRLWGBBPOMCO-UHFFFAOYSA-N 1 0 501.631 3.956 1 0 KHAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C[NH2+]CC1CC1 ZINC000139647224 562832718 /nfs/dbraw/zinc/83/27/18/562832718.db2.gz DNGYNDVPHJTKNV-PMACEKPBSA-N 1 0 518.662 3.650 1 0 KHAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000139701161 562832740 /nfs/dbraw/zinc/83/27/40/562832740.db2.gz BWELMMCUIFXXPV-PMACEKPBSA-N 1 0 506.651 3.649 1 0 KHAFRO COCc1cc(COc2ccc([C@]3([NH3+])CCN([C@H](CC(C)C)C(=O)OC)C3=O)cc2)c2ccccc2n1 ZINC000140003943 562832859 /nfs/dbraw/zinc/83/28/59/562832859.db2.gz GPZPJKGRWPVJOE-GGXMVOPNSA-N 1 0 505.615 3.934 1 0 KHAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 ZINC000140102721 562832908 /nfs/dbraw/zinc/83/29/08/562832908.db2.gz SHZQFCCAXXWWLW-MALNDZBISA-N 1 0 545.668 3.737 1 0 KHAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OC[C@H](OC(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000140495252 562833074 /nfs/dbraw/zinc/83/30/74/562833074.db2.gz HZAGSCRSQPYMOU-UIOOFZCWSA-N 1 0 552.031 3.893 1 0 KHAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OC[C@@H](OC(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000140495419 562833138 /nfs/dbraw/zinc/83/31/38/562833138.db2.gz HZAGSCRSQPYMOU-FTJBHMTQSA-N 1 0 552.031 3.893 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCC2)CC3)cn1 ZINC000140526172 562833118 /nfs/dbraw/zinc/83/31/18/562833118.db2.gz RKPAERGZEXLCKT-UIOOFZCWSA-N 1 0 515.079 3.778 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCC2)CC3)cn1 ZINC000140526328 562833110 /nfs/dbraw/zinc/83/31/10/562833110.db2.gz RKPAERGZEXLCKT-IZZNHLLZSA-N 1 0 515.079 3.778 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCC2)CC3)cn1 ZINC000140526489 562833137 /nfs/dbraw/zinc/83/31/37/562833137.db2.gz RKPAERGZEXLCKT-FTJBHMTQSA-N 1 0 515.079 3.778 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCC2)CC3)cn1 ZINC000140526650 562833121 /nfs/dbraw/zinc/83/31/21/562833121.db2.gz RKPAERGZEXLCKT-CLJLJLNGSA-N 1 0 515.079 3.778 1 0 KHAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1N1CC[C@@H](OC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000140581928 562833166 /nfs/dbraw/zinc/83/31/66/562833166.db2.gz ARMMVOUPWQUKMQ-GJZUVCINSA-N 1 0 536.032 3.919 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000140593035 562833190 /nfs/dbraw/zinc/83/31/90/562833190.db2.gz NIEASVXNEGGPFU-GOSISDBHSA-N 1 0 541.664 3.611 1 0 KHAFRO C[C@H]1CCCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCOCC5)CC4)C3=O)cc2)C1 ZINC000140652795 562833207 /nfs/dbraw/zinc/83/32/07/562833207.db2.gz XNXRNNXYLYEHNX-HOFKKMOUSA-N 1 0 508.707 3.912 1 0 KHAFRO COCC(=O)N1CCC2(CCN(c3ccc(N4CC[C@H]([N@@H+]5CCC[C@@H]5C)C4)cc3C(F)(F)F)C2=O)CC1 ZINC000140668315 562833276 /nfs/dbraw/zinc/83/32/76/562833276.db2.gz VYZYLRONQXAQQK-FPOVZHCZSA-N 1 0 522.612 3.760 1 0 KHAFRO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](NC(=O)[C@H](CC3CCCC3)CN(O)C=O)C(C)(C)C)CC2)cc1 ZINC000141015648 562833431 /nfs/dbraw/zinc/83/34/31/562833431.db2.gz OKUXYTGNPLGFOF-AOYPEHQESA-N 1 0 514.711 3.651 1 0 KHAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000141112347 562833514 /nfs/dbraw/zinc/83/35/14/562833514.db2.gz SCVZUKPARGIVBE-CJFMBICVSA-N 1 0 554.654 3.760 1 0 KHAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C[NH2+]CC(C)C ZINC000141454793 562833607 /nfs/dbraw/zinc/83/36/07/562833607.db2.gz YONVIVQJTXOCSL-SFTDATJTSA-N 1 0 520.678 3.896 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2Cl)[C@H]([NH3+])CC3)cn1 ZINC000142405604 562834165 /nfs/dbraw/zinc/83/41/65/562834165.db2.gz FWTHODINAQNFPK-JTHBVZDNSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2Cl)[C@@H]([NH3+])CC3)cn1 ZINC000142405800 562834164 /nfs/dbraw/zinc/83/41/64/562834164.db2.gz FWTHODINAQNFPK-GMAHTHKFSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2Cl)[C@H]([NH3+])CC3)cn1 ZINC000142405997 562834161 /nfs/dbraw/zinc/83/41/61/562834161.db2.gz FWTHODINAQNFPK-FYYLOGMGSA-N 1 0 509.459 3.684 1 0 KHAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2Cl)[C@@H]([NH3+])CC3)cn1 ZINC000142406197 562834160 /nfs/dbraw/zinc/83/41/60/562834160.db2.gz FWTHODINAQNFPK-GGAORHGYSA-N 1 0 509.459 3.684 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000142571199 562834258 /nfs/dbraw/zinc/83/42/58/562834258.db2.gz CEBDOJVLHITAQE-NSOVKSMOSA-N 1 0 508.688 3.857 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000142571402 562834276 /nfs/dbraw/zinc/83/42/76/562834276.db2.gz CEBDOJVLHITAQE-WUFINQPMSA-N 1 0 508.688 3.857 1 0 KHAFRO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(N5CCC([NH+]6CCOCC6)CC5)cc4)nc23)cc1 ZINC000142813524 562834337 /nfs/dbraw/zinc/83/43/37/562834337.db2.gz LIQZZZOADFYIDR-UHFFFAOYSA-N 1 0 532.670 3.844 1 0 KHAFRO CCOCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH3+])CC2 ZINC000142876531 562834340 /nfs/dbraw/zinc/83/43/40/562834340.db2.gz NMOFYZRZXULDEZ-NZQKXSOJSA-N 1 0 501.476 3.928 1 0 KHAFRO CCOCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH3+])CC2 ZINC000142876727 562834359 /nfs/dbraw/zinc/83/43/59/562834359.db2.gz NMOFYZRZXULDEZ-REWPJTCUSA-N 1 0 501.476 3.928 1 0 KHAFRO CCOCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH3+])CC2 ZINC000142876942 562834357 /nfs/dbraw/zinc/83/43/57/562834357.db2.gz NMOFYZRZXULDEZ-NFBKMPQASA-N 1 0 501.476 3.928 1 0 KHAFRO CCOCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH3+])CC2 ZINC000142877143 562834386 /nfs/dbraw/zinc/83/43/86/562834386.db2.gz NMOFYZRZXULDEZ-OFNKIYASSA-N 1 0 501.476 3.928 1 0 KHAFRO CN(c1ncccc1CNc1cccn2nc(Nc3ccc(C4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000142878529 562834400 /nfs/dbraw/zinc/83/44/00/562834400.db2.gz HZNPQJTZWHIEFN-UHFFFAOYSA-N 1 0 520.663 3.685 1 0 KHAFRO C[NH+]1CCN(c2ccc(Nc3nc4c(NC[C@@H]5CCN(C(=O)OC(C)(C)C)C5)cccn4n3)cc2)CC1 ZINC000142894043 562834423 /nfs/dbraw/zinc/83/44/23/562834423.db2.gz JAWKMUVRMBFRKE-FQEVSTJZSA-N 1 0 506.655 3.894 1 0 KHAFRO CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc(C(N)=[NH2+])cc1)c1ccc(cc1)CCCC(=O)N2 ZINC000142913388 562834390 /nfs/dbraw/zinc/83/43/90/562834390.db2.gz HLENBKTVSREWEE-AREMUKBSSA-N 1 0 533.654 3.509 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)c(Cl)c1 ZINC000142972101 562834439 /nfs/dbraw/zinc/83/44/39/562834439.db2.gz HRMPHPPMLURQFC-UHFFFAOYSA-N 1 0 547.841 3.970 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1CC1CC1)CC2 ZINC000143045516 562834554 /nfs/dbraw/zinc/83/45/54/562834554.db2.gz DMJGGUQZJPJJSD-UHFFFAOYSA-N 1 0 501.635 3.504 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](CCO)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143084187 562834567 /nfs/dbraw/zinc/83/45/67/562834567.db2.gz GHCWNIIDNVJCHK-UHFFFAOYSA-N 1 0 553.667 3.581 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)cc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)CC2 ZINC000143090897 562834609 /nfs/dbraw/zinc/83/46/09/562834609.db2.gz HIVQABHKRGEYST-UHFFFAOYSA-N 1 0 503.651 3.984 1 0 KHAFRO COc1cc(C(=O)NCC[NH+](C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000143094730 562834600 /nfs/dbraw/zinc/83/46/00/562834600.db2.gz WAGWHQJGNZOUQE-UHFFFAOYSA-N 1 0 511.630 3.995 1 0 KHAFRO CCn1nc2c(c1C1CC1)-c1nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc1CC2 ZINC000143097736 562834564 /nfs/dbraw/zinc/83/45/64/562834564.db2.gz OQMADJRSIVNXPX-UHFFFAOYSA-N 1 0 501.635 3.912 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1c(F)cc(Br)cc1F ZINC000143111094 562834647 /nfs/dbraw/zinc/83/46/47/562834647.db2.gz FYZZYOSCIAZCBA-UHFFFAOYSA-N 1 0 549.376 3.595 1 0 KHAFRO CC[NH+](CC)CCCNCc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1OC ZINC000143172295 562834706 /nfs/dbraw/zinc/83/47/06/562834706.db2.gz PXBYBKWYMXGFBT-ZEQRLZLVSA-N 1 0 577.774 3.972 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000143194708 562834703 /nfs/dbraw/zinc/83/47/03/562834703.db2.gz QAALKZNVSCKJMT-UIOOFZCWSA-N 1 0 512.651 3.653 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000143194904 562834730 /nfs/dbraw/zinc/83/47/30/562834730.db2.gz QAALKZNVSCKJMT-IZZNHLLZSA-N 1 0 512.651 3.653 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000143195127 562834711 /nfs/dbraw/zinc/83/47/11/562834711.db2.gz QAALKZNVSCKJMT-FTJBHMTQSA-N 1 0 512.651 3.653 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000143195337 562834701 /nfs/dbraw/zinc/83/47/01/562834701.db2.gz QAALKZNVSCKJMT-CLJLJLNGSA-N 1 0 512.651 3.653 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+]1CCCC1)ncnc2Nc1ccc(Br)cc1F ZINC000143244064 562834781 /nfs/dbraw/zinc/83/47/81/562834781.db2.gz OELVTHONNCJUEV-UHFFFAOYSA-N 1 0 557.424 3.990 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cc(F)cc(Cl)c2)[C@H]([NH+]2CCC2)CC3)c1 ZINC000143247446 562834801 /nfs/dbraw/zinc/83/48/01/562834801.db2.gz ABJBBSNUAXERJM-LOSJGSFVSA-N 1 0 533.069 3.917 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cc(F)cc(Cl)c2)[C@H]([NH+]2CCC2)CC3)c1 ZINC000143247688 562834820 /nfs/dbraw/zinc/83/48/20/562834820.db2.gz ABJBBSNUAXERJM-JWQCQUIFSA-N 1 0 533.069 3.917 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cc(F)cc(Cl)c2)[C@@H]([NH+]2CCC2)CC3)c1 ZINC000143247886 562834824 /nfs/dbraw/zinc/83/48/24/562834824.db2.gz ABJBBSNUAXERJM-DQEYMECFSA-N 1 0 533.069 3.917 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cc(F)cc(Cl)c2)[C@@H]([NH+]2CCC2)CC3)c1 ZINC000143248082 562834793 /nfs/dbraw/zinc/83/47/93/562834793.db2.gz ABJBBSNUAXERJM-RPBOFIJWSA-N 1 0 533.069 3.917 1 0 KHAFRO CCc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000143326603 562834920 /nfs/dbraw/zinc/83/49/20/562834920.db2.gz PWECZSTXXURXCH-XMMPIXPASA-N 1 0 526.081 3.902 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)c(F)c1F ZINC000143395888 562834998 /nfs/dbraw/zinc/83/49/98/562834998.db2.gz ARBSTGKTOSHPOE-UHFFFAOYSA-N 1 0 549.376 3.595 1 0 KHAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000143438189 562835041 /nfs/dbraw/zinc/83/50/41/562835041.db2.gz ZOGMNODWMKESAB-WFZAHQNKSA-N 1 0 537.730 3.853 1 0 KHAFRO C[NH+]1CCN(c2ccc3c(C(N)=O)cn(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)c3n2)CC1 ZINC000143443563 562835027 /nfs/dbraw/zinc/83/50/27/562835027.db2.gz NTLHGZBIQWGWHF-UHFFFAOYSA-N 1 0 583.668 3.504 1 0 KHAFRO NC(=[NH2+])N1CCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143455461 562835032 /nfs/dbraw/zinc/83/50/32/562835032.db2.gz QPZHJKFCZNGFLJ-UHFFFAOYSA-N 1 0 559.886 3.628 1 0 KHAFRO C[NH+](C)CCNc1ccc2c(C(N)=O)cn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)c2n1 ZINC000143495729 562835085 /nfs/dbraw/zinc/83/50/85/562835085.db2.gz RJGXFAHNIZAONV-UHFFFAOYSA-N 1 0 571.657 3.726 1 0 KHAFRO C[NH+](C)Cc1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)ccc5c4=O)c3CO)cc2C(N)=O)nc1 ZINC000143565843 562835150 /nfs/dbraw/zinc/83/51/50/562835150.db2.gz JIYLEJLIWCOHDI-UHFFFAOYSA-N 1 0 566.666 3.660 1 0 KHAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1-c1nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)c2[nH]1 ZINC000143678781 562835235 /nfs/dbraw/zinc/83/52/35/562835235.db2.gz ORFGUEWOGJKLFU-XOSANVASSA-N 1 0 591.160 3.591 1 0 KHAFRO C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)n(-c5c(F)cccc5Cl)c5nccn5c4n3)cc2)CC1 ZINC000143859395 562835339 /nfs/dbraw/zinc/83/53/39/562835339.db2.gz QUTZVOUNNKGPFD-UHFFFAOYSA-N 1 0 504.957 3.716 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NC(=O)OCC2CCCCC2)C(C)C)ccc1OC ZINC000144004820 562835604 /nfs/dbraw/zinc/83/56/04/562835604.db2.gz HLXHCRZAVCFDIS-BJKOFHAPSA-N 1 0 519.683 3.856 1 0 KHAFRO CC(C)[NH2+]CCCn1c2ccnc(N)c2nc1Sc1cc2c(cc1I)OCO2 ZINC000144010596 562835607 /nfs/dbraw/zinc/83/56/07/562835607.db2.gz FNNXIVAECASPAR-UHFFFAOYSA-N 1 0 511.389 3.886 1 0 KHAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(CC(C)C)c2cc(OC)c(C(C)C)cn2)C1 ZINC000144048540 562835704 /nfs/dbraw/zinc/83/57/04/562835704.db2.gz DTAYEDRKQOIBAU-YTFSRNRJSA-N 1 0 504.716 3.996 1 0 KHAFRO CN1CC[N@@H+](C2CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)CC2)CCC1=O ZINC000144224841 562836000 /nfs/dbraw/zinc/83/60/00/562836000.db2.gz CJEFPPDEDOJMRF-UHFFFAOYSA-N 1 0 524.629 3.532 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OCc2cccc(OC)c2)C(C)C)ccc1OC ZINC000144346976 562836137 /nfs/dbraw/zinc/83/61/37/562836137.db2.gz CZAMPUPYSSGHRM-WNCULLNHSA-N 1 0 500.636 3.775 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2N(C)C(=O)OCc2ccccc2)C(C)C)ccc1OC ZINC000144352821 562836126 /nfs/dbraw/zinc/83/61/26/562836126.db2.gz ZTSNMSATXZPDSU-LOSJGSFVSA-N 1 0 527.662 3.818 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCC(=O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000144416273 562836204 /nfs/dbraw/zinc/83/62/04/562836204.db2.gz BTYCSKWMQWEJJA-IDIXZGLXSA-N 1 0 550.458 3.951 1 0 KHAFRO COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(CC[C@H]([NH3+])CF)C(=O)[C@H](C)O ZINC000144554340 562836376 /nfs/dbraw/zinc/83/63/76/562836376.db2.gz ZQEGQYVJJQRWHL-GRWTVWFQSA-N 1 0 551.585 3.773 1 0 KHAFRO COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1C[NH2+]C[C@@H]1F)C(=O)[C@H](C)O ZINC000144555220 562836375 /nfs/dbraw/zinc/83/63/75/562836375.db2.gz SPWPPZWZCGQLGC-KVOAMPFWSA-N 1 0 563.596 3.644 1 0 KHAFRO COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(CC[C@H]([NH3+])CF)C(=O)[C@H](C)O ZINC000144555451 562836389 /nfs/dbraw/zinc/83/63/89/562836389.db2.gz CYSYCIAEKLVRKZ-NYDSKATKSA-N 1 0 533.595 3.634 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2F)[C@@H]([N@@H+]2C[C@@H]4C[C@@H]4C2)CC3)c1 ZINC000144661429 562836579 /nfs/dbraw/zinc/83/65/79/562836579.db2.gz TWCWEIYQSXFIGD-JCPVEWQXSA-N 1 0 524.662 3.509 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2F)[C@H]([N@@H+]2C[C@@H]4C[C@@H]4C2)CC3)c1 ZINC000144661630 562836573 /nfs/dbraw/zinc/83/65/73/562836573.db2.gz TWCWEIYQSXFIGD-MZAVPQGISA-N 1 0 524.662 3.509 1 0 KHAFRO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@@H+]4CC[C@@H](O)C4)ccn3)c2s1 ZINC000144700302 562836642 /nfs/dbraw/zinc/83/66/42/562836642.db2.gz QOHZXZWNMWSGLM-LJQANCHMSA-N 1 0 533.658 3.751 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NC(=O)CC2CCCCC2)C(C)C)ccc1OC ZINC000144755068 562836613 /nfs/dbraw/zinc/83/66/13/562836613.db2.gz HEGBMSMVMWNRCP-BJKOFHAPSA-N 1 0 503.684 3.636 1 0 KHAFRO CCN(Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C ZINC000144778517 562836617 /nfs/dbraw/zinc/83/66/17/562836617.db2.gz QDEZCBXAHANNFO-IZZNHLLZSA-N 1 0 540.705 3.781 1 0 KHAFRO CC(C)([NH3+])C(=O)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O ZINC000144933458 562836709 /nfs/dbraw/zinc/83/67/09/562836709.db2.gz VUQWHFIOPIVZOL-JOCHJYFZSA-N 1 0 530.000 3.559 1 0 KHAFRO C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(C[NH2+]CC4CC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000145074240 562836860 /nfs/dbraw/zinc/83/68/60/562836860.db2.gz UPWMRWBLZUXUMY-OALUTQOASA-N 1 0 506.626 3.781 1 0 KHAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CC2(CCO)CCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000145227532 562836914 /nfs/dbraw/zinc/83/69/14/562836914.db2.gz AAFJQQUWSZNMBT-OPMYFTJMSA-N 1 0 608.538 3.639 1 0 KHAFRO C[N@@H+]1[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(F)c(F)cc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000145637723 562837400 /nfs/dbraw/zinc/83/74/00/562837400.db2.gz NCVZNOICJNGHGC-BGCYMAIVSA-N 1 0 568.036 3.709 1 0 KHAFRO COc1c(C)cc2cccnc2c1N1CCCN([C@@H](C(=O)N2CC[NH2+]CC2)c2csc(C(C)C)n2)CC1 ZINC000145877934 562837722 /nfs/dbraw/zinc/83/77/22/562837722.db2.gz LLAXRCZWYGKBDZ-XMMPIXPASA-N 1 0 522.719 3.817 1 0 KHAFRO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cnc(C(C)(C)C)cn1 ZINC000145893521 562837688 /nfs/dbraw/zinc/83/76/88/562837688.db2.gz LMDRAJWAIDEPEN-UHFFFAOYSA-N 1 0 531.596 3.610 1 0 KHAFRO CNC(=O)CCCCC[C@H](NC(=O)C12CC[NH+](CC1)CC2)c1nc(-c2cc3ccccc3nc2OC)c[nH]1 ZINC000145908079 562837703 /nfs/dbraw/zinc/83/77/03/562837703.db2.gz UQFKUMKUHZJVPQ-QHCPKHFHSA-N 1 0 518.662 3.973 1 0 KHAFRO COc1ccc(CC(=O)NC(=[NH2+])N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(OC)c2)cc1OC ZINC000146052552 562838001 /nfs/dbraw/zinc/83/80/01/562838001.db2.gz BJXPQZHOHBSDED-JOCHJYFZSA-N 1 0 528.625 3.690 1 0 KHAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146054179 562838049 /nfs/dbraw/zinc/83/80/49/562838049.db2.gz CQYHKMMJNXVYGS-XXBNENTESA-N 1 0 601.035 3.780 1 0 KHAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146059086 562838086 /nfs/dbraw/zinc/83/80/86/562838086.db2.gz SZQKKHJSPCEKGM-XXBNENTESA-N 1 0 585.036 3.848 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](CCO)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146067948 562838072 /nfs/dbraw/zinc/83/80/72/562838072.db2.gz JSUBAWODTDACLC-UHFFFAOYSA-N 1 0 600.598 3.812 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@H]4[C@H]4CCCC[N@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000146153535 562838319 /nfs/dbraw/zinc/83/83/19/562838319.db2.gz BTRBVLVZBYMHDD-UXHICEINSA-N 1 0 516.572 3.920 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@H]4[C@@H]4CCCC[N@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000146153748 562838353 /nfs/dbraw/zinc/83/83/53/562838353.db2.gz BTRBVLVZBYMHDD-PMACEKPBSA-N 1 0 516.572 3.920 1 0 KHAFRO COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=[NH2+])NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000146268366 562838391 /nfs/dbraw/zinc/83/83/91/562838391.db2.gz JBDHGEVVWPHZDD-JOCHJYFZSA-N 1 0 540.661 3.559 1 0 KHAFRO NC(=O)[C@@H]1CCN(c2nc(N3CCC(COCC[NH+]4CCCC4)CC3)nc3scc(-c4ccccc4)c32)C1 ZINC000146406298 562838541 /nfs/dbraw/zinc/83/85/41/562838541.db2.gz YGGCFBLYZIEQQS-HSZRJFAPSA-N 1 0 534.730 3.999 1 0 KHAFRO NC(=O)[C@H]1CCN(c2nc(N3CCC(COCC[NH+]4CCCC4)CC3)nc3scc(-c4ccccc4)c32)C1 ZINC000146406498 562838532 /nfs/dbraw/zinc/83/85/32/562838532.db2.gz YGGCFBLYZIEQQS-QHCPKHFHSA-N 1 0 534.730 3.999 1 0 KHAFRO CN(C)[C@@H]1CCC[N@H+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146409604 562838507 /nfs/dbraw/zinc/83/85/07/562838507.db2.gz STZBIAMKHPNIHH-BJKOFHAPSA-N 1 0 547.773 3.912 1 0 KHAFRO CN(C)[C@H]1CCC[N@H+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146409800 562838527 /nfs/dbraw/zinc/83/85/27/562838527.db2.gz STZBIAMKHPNIHH-ZEQRLZLVSA-N 1 0 547.773 3.912 1 0 KHAFRO CN(C)S(=O)(=O)c1ccc(-c2csc3ncnc(N4CCC(COCC[NH+]5CCCC5)CC4)c23)cc1 ZINC000146424526 562838548 /nfs/dbraw/zinc/83/85/48/562838548.db2.gz AUFDRUJLIMQDQZ-UHFFFAOYSA-N 1 0 529.732 3.937 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146448234 562838559 /nfs/dbraw/zinc/83/85/59/562838559.db2.gz UJYWAKUSEQRDHA-XZOQPEGZSA-N 1 0 533.746 3.522 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146451582 562838568 /nfs/dbraw/zinc/83/85/68/562838568.db2.gz VMROUOREXJMAKQ-BJKOFHAPSA-N 1 0 547.773 3.912 1 0 KHAFRO NC(=O)[C@@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(COCC[NH+]4CCCC4)CC3)n2)C1 ZINC000146453061 562838582 /nfs/dbraw/zinc/83/85/82/562838582.db2.gz YUMUAUASBBJRKX-HSZRJFAPSA-N 1 0 534.730 3.999 1 0 KHAFRO NC(=O)[C@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(COCC[NH+]4CCCC4)CC3)n2)C1 ZINC000146453258 562838566 /nfs/dbraw/zinc/83/85/66/562838566.db2.gz YUMUAUASBBJRKX-QHCPKHFHSA-N 1 0 534.730 3.999 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCC(C(N)=O)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146474462 562838625 /nfs/dbraw/zinc/83/86/25/562838625.db2.gz GYDUVUGSLVJPFX-XMMPIXPASA-N 1 0 547.773 3.912 1 0 KHAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CCC(C(N)=O)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146474663 562838643 /nfs/dbraw/zinc/83/86/43/562838643.db2.gz GYDUVUGSLVJPFX-DEOSSOPVSA-N 1 0 547.773 3.912 1 0 KHAFRO CN(C)[C@@H]1CC[N@H+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146484895 562838647 /nfs/dbraw/zinc/83/86/47/562838647.db2.gz DRDCECDCZJUZJG-XZOQPEGZSA-N 1 0 533.746 3.522 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146526468 562838661 /nfs/dbraw/zinc/83/86/61/562838661.db2.gz BXQIJEWXGSNMPH-ISKFKSNPSA-N 1 0 533.746 3.665 1 0 KHAFRO CC(=O)N[C@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146620527 562838745 /nfs/dbraw/zinc/83/87/45/562838745.db2.gz ZUMVEPKZDXTGAW-LOSJGSFVSA-N 1 0 547.773 3.925 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1c2cccc1Cl ZINC000146846662 562838856 /nfs/dbraw/zinc/83/88/56/562838856.db2.gz CGXXPSRYCOMPPV-XSWDNSQFSA-N 1 0 534.484 3.603 1 0 KHAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CCc2ccco2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000146969310 562839017 /nfs/dbraw/zinc/83/90/17/562839017.db2.gz TVVJULHBMASWRE-USJLZIQHSA-N 1 0 576.452 3.532 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCNS(C)(=O)=O)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146970809 562839019 /nfs/dbraw/zinc/83/90/19/562839019.db2.gz MDSIBTAOZOCZMV-QDQHVZQESA-N 1 0 603.519 3.687 1 0 KHAFRO CN(c1ncccc1Nc1cccn2nc(Nc3ccc(C4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000147017339 562839085 /nfs/dbraw/zinc/83/90/85/562839085.db2.gz MDRNKAUMABPKPU-UHFFFAOYSA-N 1 0 506.636 3.817 1 0 KHAFRO COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C(C)(C)C[NH+]4CCCC4)cc2)CC3)cc1 ZINC000147022662 562839082 /nfs/dbraw/zinc/83/90/82/562839082.db2.gz WHFAAZLHEKXVFF-UHFFFAOYSA-N 1 0 522.671 3.861 1 0 KHAFRO CN1CC[NH+](C2CCN(c3ccc(Nc4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)cc3)CC2)CC1 ZINC000147022855 562839079 /nfs/dbraw/zinc/83/90/79/562839079.db2.gz ITNRXSYBGVLICN-UHFFFAOYSA-N 1 0 545.713 3.760 1 0 KHAFRO CC(C)CC[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147045993 562839073 /nfs/dbraw/zinc/83/90/73/562839073.db2.gz JUQUXOAGDHDFKM-JMTGUGMLSA-N 1 0 552.474 3.742 1 0 KHAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)nc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000147082884 562839140 /nfs/dbraw/zinc/83/91/40/562839140.db2.gz MYZSMHSRYLVWTH-FBSWEULCSA-N 1 0 572.754 3.830 1 0 KHAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CCc2ccccc2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147217013 562839200 /nfs/dbraw/zinc/83/92/00/562839200.db2.gz RTQJVGCHWMYJCR-QMSAFVIYSA-N 1 0 586.491 3.939 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000147255945 562839225 /nfs/dbraw/zinc/83/92/25/562839225.db2.gz NYMWVKCHMDGVMM-BGLPIVGWSA-N 1 0 579.063 3.956 1 0 KHAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CN(CCO)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147300638 562839250 /nfs/dbraw/zinc/83/92/50/562839250.db2.gz NQOWOHHFNIRIJQ-WZRJCJTJSA-N 1 0 563.501 3.676 1 0 KHAFRO COc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1-c1nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)c2[nH]1 ZINC000147521830 562839417 /nfs/dbraw/zinc/83/94/17/562839417.db2.gz ADYZVNMLQOHYDE-BAYWULLTSA-N 1 0 578.117 3.676 1 0 KHAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(=O)NC3CCCCC3)nn1C)CCC2 ZINC000147772882 562839586 /nfs/dbraw/zinc/83/95/86/562839586.db2.gz IORICWGEVRBSCU-UHFFFAOYSA-N 1 0 544.704 3.932 1 0 KHAFRO CN(CC[NH+](C)C)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000147974234 562839793 /nfs/dbraw/zinc/83/97/93/562839793.db2.gz VSWQPRJABWCAIH-HXOBKFHXSA-N 1 0 576.048 3.619 1 0 KHAFRO Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(N3CC[NH2+]CC3)nc12 ZINC000148026619 562839898 /nfs/dbraw/zinc/83/98/98/562839898.db2.gz NVTRBUVABMMTRW-UHFFFAOYSA-N 1 0 523.523 3.735 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CC[NH+](C)CC4)CC3)nc12 ZINC000148029499 562839913 /nfs/dbraw/zinc/83/99/13/562839913.db2.gz ZRUOIDRPSLJMAJ-UHFFFAOYSA-N 1 0 599.744 3.808 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2c(N)nc(N3CCC[N@@H+](C)CC3)nc12 ZINC000148029704 562839861 /nfs/dbraw/zinc/83/98/61/562839861.db2.gz KNAFDEGKASTIMX-UHFFFAOYSA-N 1 0 530.637 3.734 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CC[NH+](C)CC4)CC3)nc12 ZINC000148029952 562839895 /nfs/dbraw/zinc/83/98/95/562839895.db2.gz DYZPLOROUACCSK-UHFFFAOYSA-N 1 0 598.760 3.543 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3C[C@@H](C)[NH2+][C@@H](C)C3)nc12 ZINC000148038337 562839933 /nfs/dbraw/zinc/83/99/33/562839933.db2.gz JMSQIVBJFLLZTB-IYBDPMFKSA-N 1 0 529.653 3.514 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C[C@@H]4CCC[N@@H+](C)C4)CC3)nc12 ZINC000148040522 562839959 /nfs/dbraw/zinc/83/99/59/562839959.db2.gz HEDVUPDBVUMTCY-OAQYLSRUSA-N 1 0 612.787 3.791 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C[C@H]4CCC[N@@H+](C)C4)CC3)nc12 ZINC000148040711 562839985 /nfs/dbraw/zinc/83/99/85/562839985.db2.gz HEDVUPDBVUMTCY-NRFANRHFSA-N 1 0 612.787 3.791 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CC4)CC3)nc12 ZINC000148040973 562839942 /nfs/dbraw/zinc/83/99/42/562839942.db2.gz DBKIOUNNTKVIEW-UHFFFAOYSA-N 1 0 541.664 3.611 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCC([NH+]4CCN(C)CC4)CC3)nc12 ZINC000148045930 562839975 /nfs/dbraw/zinc/83/99/75/562839975.db2.gz HCQKMNGMKGPIEY-UHFFFAOYSA-N 1 0 598.760 3.543 1 0 KHAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH2+]CC3)nc12 ZINC000148049939 562840029 /nfs/dbraw/zinc/84/00/29/562840029.db2.gz DOCBMNGXBBUZAX-UHFFFAOYSA-N 1 0 523.523 3.735 1 0 KHAFRO CC(C)C[NH+]1CCN(c2nc(N)c3ncnc(Nc4ccc(F)c(C(=O)Nc5cc(C(C)(C)C)[nH]n5)c4)c3n2)CC1 ZINC000148053573 562840019 /nfs/dbraw/zinc/84/00/19/562840019.db2.gz ZJBCSICQRDXPAO-UHFFFAOYSA-N 1 0 561.670 3.936 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2c(N)nc(N3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000148053970 562840009 /nfs/dbraw/zinc/84/00/09/562840009.db2.gz DRJKNGBUVQSMEN-LJQANCHMSA-N 1 0 555.691 3.622 1 0 KHAFRO C[N@@H+]1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148090040 562840204 /nfs/dbraw/zinc/84/02/04/562840204.db2.gz PZCPIIZQPOODRD-UHFFFAOYSA-N 1 0 519.585 3.982 1 0 KHAFRO COc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148101319 562840219 /nfs/dbraw/zinc/84/02/19/562840219.db2.gz KETCFXMHUOFNPX-UHFFFAOYSA-N 1 0 531.621 3.852 1 0 KHAFRO CC(=O)n1cc(NC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000148128439 562840277 /nfs/dbraw/zinc/84/02/77/562840277.db2.gz AGVNARJNAWVJMH-RDPSFJRHSA-N 1 0 503.937 3.684 1 0 KHAFRO CS(=O)(=O)c1ccccc1CNc1cccn2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000148207789 562840581 /nfs/dbraw/zinc/84/05/81/562840581.db2.gz NKBVOEJXKSYSME-UHFFFAOYSA-N 1 0 506.632 3.963 1 0 KHAFRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Nc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1F ZINC000148217797 562840591 /nfs/dbraw/zinc/84/05/91/562840591.db2.gz WEWNCUYYQAPWHQ-IQVOZAENSA-N 1 0 532.979 3.724 1 0 KHAFRO Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000148229679 562840664 /nfs/dbraw/zinc/84/06/64/562840664.db2.gz NEVGSISMAKDRLZ-UHFFFAOYSA-N 1 0 544.567 3.736 1 0 KHAFRO Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148231533 562840667 /nfs/dbraw/zinc/84/06/67/562840667.db2.gz ITUISWXBJLRZQD-UHFFFAOYSA-N 1 0 532.556 3.592 1 0 KHAFRO CN(CC[NH+](C)C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1 ZINC000148241130 562840703 /nfs/dbraw/zinc/84/07/03/562840703.db2.gz YLDVRXIEBQGMTR-UHFFFAOYSA-N 1 0 507.574 3.838 1 0 KHAFRO CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(C(=[NH2+])N(C)C)ccc12 ZINC000148253941 562840714 /nfs/dbraw/zinc/84/07/14/562840714.db2.gz YGELUXSZSDPSCI-XANCMCCPSA-N 1 0 538.023 3.829 1 0 KHAFRO CC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148276558 562840851 /nfs/dbraw/zinc/84/08/51/562840851.db2.gz LLMCYGWIIMBNHC-UHFFFAOYSA-N 1 0 519.585 3.982 1 0 KHAFRO CN(c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1)[C@@H]1CC[N@H+](C)C1 ZINC000148277414 562840859 /nfs/dbraw/zinc/84/08/59/562840859.db2.gz JSCPXNCVEXLXMD-MRXNPFEDSA-N 1 0 519.585 3.981 1 0 KHAFRO CN(c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1)[C@H]1CC[N@H+](C)C1 ZINC000148277627 562840863 /nfs/dbraw/zinc/84/08/63/562840863.db2.gz JSCPXNCVEXLXMD-INIZCTEOSA-N 1 0 519.585 3.981 1 0 KHAFRO C[NH+](C)[C@@H]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)C1 ZINC000148279583 562840827 /nfs/dbraw/zinc/84/08/27/562840827.db2.gz WNRXTWSDCHDCRD-MRXNPFEDSA-N 1 0 519.585 3.981 1 0 KHAFRO C[NH+](C)[C@H]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)C1 ZINC000148279787 562840831 /nfs/dbraw/zinc/84/08/31/562840831.db2.gz WNRXTWSDCHDCRD-INIZCTEOSA-N 1 0 519.585 3.981 1 0 KHAFRO CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(C(=[NH2+])N(C)C)cc12 ZINC000148282367 562840856 /nfs/dbraw/zinc/84/08/56/562840856.db2.gz JYJVGAWPJSRHGP-QFWMQHCXSA-N 1 0 538.023 3.829 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000148303637 562840951 /nfs/dbraw/zinc/84/09/51/562840951.db2.gz ZCVYGSCCYTXMQI-UHFFFAOYSA-N 1 0 514.638 3.887 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3C[C@H]4C[C@@H]3C[N@H+]4C)nc21 ZINC000148325746 562840979 /nfs/dbraw/zinc/84/09/79/562840979.db2.gz FPYGQCVQFUNXSF-QZTJIDSGSA-N 1 0 513.606 3.902 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc21 ZINC000148374591 562841230 /nfs/dbraw/zinc/84/12/30/562841230.db2.gz LOGKCJOGTUENSM-FQEVSTJZSA-N 1 0 570.702 3.903 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc21 ZINC000148374754 562841193 /nfs/dbraw/zinc/84/11/93/562841193.db2.gz LOGKCJOGTUENSM-HXUWFJFHSA-N 1 0 570.702 3.903 1 0 KHAFRO NC(=O)n1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H]2C(=O)N[C@@H](c2cccc(Cl)c2F)C(F)(F)F)c2ccccc21 ZINC000148438387 562841282 /nfs/dbraw/zinc/84/12/82/562841282.db2.gz UIBCSKKTHYWWJL-CCKFTAQKSA-N 1 0 540.905 3.714 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C(N)=O)cc2)n1 ZINC000148441779 562841300 /nfs/dbraw/zinc/84/13/00/562841300.db2.gz YVIHJYXPNUEMOI-UHFFFAOYSA-N 1 0 544.534 3.963 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2CC(N)=O)n1 ZINC000148442227 562841316 /nfs/dbraw/zinc/84/13/16/562841316.db2.gz APXKFFHRAKSQLL-UHFFFAOYSA-N 1 0 558.561 3.892 1 0 KHAFRO COc1ccc2ncc(F)c(CC[N@@H+]3C[C@@H]4CCC[C@@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000148450500 562841348 /nfs/dbraw/zinc/84/13/48/562841348.db2.gz SRAVTNUCBHQYLG-CBZJRKILSA-N 1 0 522.650 3.651 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(CC(N)=O)cc2)n1 ZINC000148450861 562841339 /nfs/dbraw/zinc/84/13/39/562841339.db2.gz GUULKYLIYQHXND-UHFFFAOYSA-N 1 0 558.561 3.892 1 0 KHAFRO CN(CC[NH+](C)C)Cc1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148452963 562841327 /nfs/dbraw/zinc/84/13/27/562841327.db2.gz MVIWIHQYGKYFCE-DVECYGJZSA-N 1 0 590.075 3.615 1 0 KHAFRO NC(=O)c1ccccc1OCCC[NH+]1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC000148539265 562841453 /nfs/dbraw/zinc/84/14/53/562841453.db2.gz KWZBJWOQFABHPF-UHFFFAOYSA-N 1 0 518.639 3.568 1 0 KHAFRO NC(=O)c1ccccc1OCCCC[NH+]1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC000148604946 562841515 /nfs/dbraw/zinc/84/15/15/562841515.db2.gz UQFXXDIPHBBVJR-UHFFFAOYSA-N 1 0 532.666 3.958 1 0 KHAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccoc3)cc2)CC1 ZINC000148737509 562841732 /nfs/dbraw/zinc/84/17/32/562841732.db2.gz BBYFVGAOJBLRNL-HXUWFJFHSA-N 1 0 509.006 3.915 1 0 KHAFRO CC(C)c1cc(NC(=O)[C@@H]2CC[N@H+](CC(=O)N3CCN(c4ccc(-c5ncccn5)cc4)CC3)C2)ccc1O ZINC000148790029 562841823 /nfs/dbraw/zinc/84/18/23/562841823.db2.gz QBSJGELDWMYNBG-HSZRJFAPSA-N 1 0 528.657 3.582 1 0 KHAFRO CS(=O)(=O)c1ccc(CNC(=O)c2cc3cccc(N4CC[NH+](CCc5ccccn5)CC4)c3o2)cc1 ZINC000148973705 562842054 /nfs/dbraw/zinc/84/20/54/562842054.db2.gz SLNHQLGUTOBGID-UHFFFAOYSA-N 1 0 518.639 3.526 1 0 KHAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+](C2CCC(c3ncccc3O)CC2)C1 ZINC000149106670 562842092 /nfs/dbraw/zinc/84/20/92/562842092.db2.gz ARTSFCTVWHVYSJ-UHFFFAOYSA-N 1 0 500.525 3.688 1 0 KHAFRO C[C@H]1C[N@@H+]2CCC[C@H]2C[C@@H]1C(=O)N1Cc2c(NC(=O)c3csc(Br)n3)n[nH]c2C1(C)C ZINC000149112216 562842175 /nfs/dbraw/zinc/84/21/75/562842175.db2.gz CEDRRNYDWZBRDP-AVGNSLFASA-N 1 0 507.458 3.579 1 0 KHAFRO C[C@H]1C[N@@H+]2CCC[C@H]2C[C@H]1C(=O)N1Cc2c(NC(=O)c3csc(Br)n3)n[nH]c2C1(C)C ZINC000149112420 562842166 /nfs/dbraw/zinc/84/21/66/562842166.db2.gz CEDRRNYDWZBRDP-RWMBFGLXSA-N 1 0 507.458 3.579 1 0 KHAFRO COc1ccc2ncc(Cl)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149123289 562842146 /nfs/dbraw/zinc/84/21/46/562842146.db2.gz KORWOFIKLKGGQH-UHFFFAOYSA-N 1 0 509.994 3.822 1 0 KHAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+](C2CCC(N3CCC(F)(F)C3)CC2)C1 ZINC000149156796 562842287 /nfs/dbraw/zinc/84/22/87/562842287.db2.gz RVODGPORSRYQGF-UHFFFAOYSA-N 1 0 512.527 3.513 1 0 KHAFRO COCC(=O)N[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000149157438 562842322 /nfs/dbraw/zinc/84/23/22/562842322.db2.gz SCIFRMHWIBCWPT-LCNIEQOASA-N 1 0 527.547 3.785 1 0 KHAFRO COc1cc(C)c2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149162811 562842357 /nfs/dbraw/zinc/84/23/57/562842357.db2.gz ZBAGPAIAXPURHB-UHFFFAOYSA-N 1 0 507.566 3.616 1 0 KHAFRO C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]([NH3+])[C@H]1NS(C)(=O)=O ZINC000149181237 562842404 /nfs/dbraw/zinc/84/24/04/562842404.db2.gz HYYSIISVZBZUCM-MZSQMWNCSA-N 1 0 533.576 3.572 1 0 KHAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@@H]1NS(C)(=O)=O ZINC000149182122 562842418 /nfs/dbraw/zinc/84/24/18/562842418.db2.gz HYYSIISVZBZUCM-MEPMFARVSA-N 1 0 533.576 3.572 1 0 KHAFRO O=C(CNc1cc[nH+]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@](O)(c3cncs3)CC2)C1 ZINC000149184365 562842382 /nfs/dbraw/zinc/84/23/82/562842382.db2.gz LSNMCGAJTRFBRL-QBNMFFNISA-N 1 0 505.566 3.753 1 0 KHAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1S(C)(=O)=O ZINC000149188105 562842407 /nfs/dbraw/zinc/84/24/07/562842407.db2.gz RDWOPOGQJJCJBX-ZWXCTCQWSA-N 1 0 506.600 3.990 1 0 KHAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC(F)F)nc65)(CC3)OC4)nc2N1 ZINC000149190017 562842388 /nfs/dbraw/zinc/84/23/88/562842388.db2.gz OGRDPXKCFUNCDF-UHFFFAOYSA-N 1 0 529.519 3.900 1 0 KHAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H]([NH3+])[C@H]1OCCS(C)(=O)=O ZINC000149191262 562842470 /nfs/dbraw/zinc/84/24/70/562842470.db2.gz USIJRQBCKOPRCW-TXXIPVIYSA-N 1 0 565.668 3.588 1 0 KHAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H]([NH3+])[C@H]1n1ccnn1 ZINC000149192404 562842466 /nfs/dbraw/zinc/84/24/66/562842466.db2.gz PCYKKOGKWQRTHA-ZWXCTCQWSA-N 1 0 510.574 3.991 1 0 KHAFRO CC[C@H](NC(=O)C(F)(F)F)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149200894 562842458 /nfs/dbraw/zinc/84/24/58/562842458.db2.gz MRQSVFIVYDBRRQ-YJLNNSPDSA-N 1 0 560.543 3.877 1 0 KHAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCCCCCO)nc65)(CC3)OC4)nc2N1 ZINC000149202838 562842441 /nfs/dbraw/zinc/84/24/41/562842441.db2.gz ATODYUVMSIEGRJ-UHFFFAOYSA-N 1 0 565.646 3.840 1 0 KHAFRO CC(=O)N(C[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1)C(C)C ZINC000149206165 562842510 /nfs/dbraw/zinc/84/25/10/562842510.db2.gz RNEZHJOWCDYTMP-RVWIWJKTSA-N 1 0 520.600 3.677 1 0 KHAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@H](O)c3cncs3)CC2)C1 ZINC000149221417 562842489 /nfs/dbraw/zinc/84/24/89/562842489.db2.gz NVAPBWYJPGRDJI-ORHBMQHOSA-N 1 0 520.581 3.610 1 0 KHAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@@H](O)c3cncs3)CC2)C1 ZINC000149221633 562842487 /nfs/dbraw/zinc/84/24/87/562842487.db2.gz NVAPBWYJPGRDJI-AOSWFRPUSA-N 1 0 520.581 3.610 1 0 KHAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@@H](O)C3CCCC3)CC2)C1 ZINC000149222722 562842471 /nfs/dbraw/zinc/84/24/71/562842471.db2.gz ODZWTGQBNVOACI-IQOKHDRSSA-N 1 0 505.585 3.971 1 0 KHAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@H](O)C3CCCC3)CC2)C1 ZINC000149222950 562842516 /nfs/dbraw/zinc/84/25/16/562842516.db2.gz ODZWTGQBNVOACI-VWQFJMCTSA-N 1 0 505.585 3.971 1 0 KHAFRO CC[C@@H](OC(C)=O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149224122 562842475 /nfs/dbraw/zinc/84/24/75/562842475.db2.gz VJOJOGRLUFZOIP-GTCCEBARSA-N 1 0 507.557 3.761 1 0 KHAFRO CC[C@H](OC(C)=O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149224341 562842498 /nfs/dbraw/zinc/84/24/98/562842498.db2.gz VJOJOGRLUFZOIP-NBCNXNJRSA-N 1 0 507.557 3.761 1 0 KHAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)[C@H](C)O6)(CC3)CO4)c2n1 ZINC000149240861 562842572 /nfs/dbraw/zinc/84/25/72/562842572.db2.gz XDXSAIOLICXENL-HYOVDPQQSA-N 1 0 507.566 3.696 1 0 KHAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)[C@@H](C)O6)(CC3)CO4)c2n1 ZINC000149241052 562842528 /nfs/dbraw/zinc/84/25/28/562842528.db2.gz XDXSAIOLICXENL-MCHNJAHVSA-N 1 0 507.566 3.696 1 0 KHAFRO C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]([NH3+])[C@@H]1NS(C)(=O)=O ZINC000149242329 562842548 /nfs/dbraw/zinc/84/25/48/562842548.db2.gz HYYSIISVZBZUCM-PEYHYLNSSA-N 1 0 533.576 3.572 1 0 KHAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1NS(C)(=O)=O ZINC000149245980 562842547 /nfs/dbraw/zinc/84/25/47/562842547.db2.gz HYYSIISVZBZUCM-OEDDDKJZSA-N 1 0 533.576 3.572 1 0 KHAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H]([NH3+])[C@H]1S(C)(=O)=O ZINC000149247281 562842530 /nfs/dbraw/zinc/84/25/30/562842530.db2.gz ZBNXMASDPWDPMD-LBOSBVAVSA-N 1 0 521.615 3.572 1 0 KHAFRO CCS(=O)(=O)C[C@@H]1C[C@H]([N@H+](C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O ZINC000149335965 562842597 /nfs/dbraw/zinc/84/25/97/562842597.db2.gz AVXGBMXCKBNWOV-PUHABZHSSA-N 1 0 539.742 3.997 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2C)C1 ZINC000150148062 562842889 /nfs/dbraw/zinc/84/28/89/562842889.db2.gz ULFCMIBDLVQYRA-SIRCMURCSA-N 1 0 522.612 3.541 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 ZINC000150153601 562842891 /nfs/dbraw/zinc/84/28/91/562842891.db2.gz CWIIAIOYSKNGAV-VFKWUGILSA-N 1 0 523.596 3.717 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@@H]3CC[C@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 ZINC000150168159 562842882 /nfs/dbraw/zinc/84/28/82/562842882.db2.gz NZMHOAOQKJHRCU-GKMRSKEZSA-N 1 0 522.612 3.622 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 ZINC000150174091 562842881 /nfs/dbraw/zinc/84/28/81/562842881.db2.gz JHEQYJWYHWEBFU-FFTPQRLHSA-N 1 0 507.597 3.837 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)n2)C1 ZINC000150175249 562842922 /nfs/dbraw/zinc/84/29/22/562842922.db2.gz BJBWQZIZKFLAPO-CTFQRZDPSA-N 1 0 522.612 3.541 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2F)C1 ZINC000150176556 562842910 /nfs/dbraw/zinc/84/29/10/562842910.db2.gz RGABVCWZWGAKHB-ZRYQRBJQSA-N 1 0 525.587 3.976 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000150177707 562842967 /nfs/dbraw/zinc/84/29/67/562842967.db2.gz YVOSXNDLWFWRSU-YGASDKEQSA-N 1 0 525.587 3.976 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000150195575 562842933 /nfs/dbraw/zinc/84/29/33/562842933.db2.gz HXWQIEBUMYQOEX-RVBOJQKWSA-N 1 0 525.587 3.976 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 ZINC000150206231 562842932 /nfs/dbraw/zinc/84/29/32/562842932.db2.gz LXOKNBAOKOQUTM-WWYIOMCUSA-N 1 0 525.587 3.976 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000150206458 562842929 /nfs/dbraw/zinc/84/29/29/562842929.db2.gz JBPYSYZBMRCRBM-KIYOEGMUSA-N 1 0 543.030 3.886 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[N@H+](C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150208597 562842925 /nfs/dbraw/zinc/84/29/25/562842925.db2.gz ZQKHELWUDLMZPH-CTFQRZDPSA-N 1 0 522.612 3.575 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@@H]3CC[C@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 ZINC000150211612 562842936 /nfs/dbraw/zinc/84/29/36/562842936.db2.gz NZMHOAOQKJHRCU-OAQPPVCESA-N 1 0 522.612 3.622 1 0 KHAFRO COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)C2CC[NH+](C)CC2)cc1I ZINC000150246568 562843030 /nfs/dbraw/zinc/84/30/30/562843030.db2.gz VABYRJNCFJLEPJ-UHFFFAOYSA-N 1 0 525.391 3.868 1 0 KHAFRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 ZINC000150260563 562843050 /nfs/dbraw/zinc/84/30/50/562843050.db2.gz MPTDIVLPKHBTQJ-PIGZYNQJSA-N 1 0 513.380 3.900 1 0 KHAFRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nc(N)ncc1Oc1cc(I)c(OC)cc1C(C)C ZINC000150260786 562843024 /nfs/dbraw/zinc/84/30/24/562843024.db2.gz DYLXPMWOWNOGJZ-PIGZYNQJSA-N 1 0 513.380 3.900 1 0 KHAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H](Cc5ccccc5)C4)C[C@]32[C@H](C)CC1 ZINC000150342144 291810185 /nfs/dbraw/zinc/81/01/85/291810185.db2.gz JNHJFBOXWMTWQI-UJVRXZNFSA-N 1 0 620.835 3.925 1 0 biogenic,in-vitro KHAFRO C[C@H]1[C@H](O)CC[C@H]2C[C@H]([C@@H]3CCCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@@]4(C)C[C@H](N)N[C@H](Cc5cccc(c5)C3)C4)CC[N@H+]12 ZINC000150358943 560045361 /nfs/dbraw/zinc/04/53/61/560045361.db2.gz PKCWFUHULLUCCM-FCZFWKQCSA-N 1 0 598.873 3.957 1 0 biogenic,in-vitro KHAFRO NC(=O)N(c1ccccc1)C1CCN(C(=O)N[C@@H](Cc2cc(Br)c([O-])c(Br)c2)C(=O)N[C@H](CCCC[NH3+])C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000150363609 562843333 /nfs/dbraw/zinc/84/33/33/562843333.db2.gz TYOGCTPXYBIGHG-ZWXJPIIXSA-N 1 0 857.649 3.945 1 0 KHAFRO CCn1c(=O)c(=C2Sc3ccccc3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150524544 562843694 /nfs/dbraw/zinc/84/36/94/562843694.db2.gz YYCYUDLTWYNBMN-BZIUYGBASA-O 1 0 693.985 3.756 1 0 KHAFRO CCn1c(=O)c(=C2Sc3cc(F)ccc3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150524803 562843729 /nfs/dbraw/zinc/84/37/29/562843729.db2.gz OYZGTMKSGAWBDX-VITVPIMESA-O 1 0 711.975 3.895 1 0 KHAFRO CCN(c1nc(-c2ccncc2-c2cn(CCOCCOCCOCCOCCOCCOCC[NH3+])nn2)cs1)c1cccc(C)c1 ZINC000150524882 562843720 /nfs/dbraw/zinc/84/37/20/562843720.db2.gz UZKHXXJLGFQVFI-UHFFFAOYSA-N 1 0 669.849 3.988 1 0 KHAFRO CCn1c(=O)c(=C2Sc3cccc(F)c3N2C)sc1=Cc1scc[n+]1Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1 ZINC000150524911 562843727 /nfs/dbraw/zinc/84/37/27/562843727.db2.gz WZKKROPFMLYCSD-QIFYBHRUSA-O 1 0 737.994 3.945 1 0 KHAFRO CCn1c(=O)c(=C2Sc3ccc(F)cc3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150524914 562843717 /nfs/dbraw/zinc/84/37/17/562843717.db2.gz MMERMKAMDNYDFR-BZIUYGBASA-O 1 0 711.975 3.895 1 0 KHAFRO CCn1c(=O)c(=C2Sc3cccc(F)c3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150525076 562843759 /nfs/dbraw/zinc/84/37/59/562843759.db2.gz YANMCDXFKRVBGS-CPAPBICISA-O 1 0 711.975 3.895 1 0 KHAFRO CCn1c(=O)c(=C2Sc3c(cccc3F)N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150525165 562843742 /nfs/dbraw/zinc/84/37/42/562843742.db2.gz ZSIUGQXRLSGLHC-RBKVGWHWSA-O 1 0 711.975 3.895 1 0 KHAFRO CCn1c(=O)c(=C2Sc3cc(OC)ccc3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150525202 562843738 /nfs/dbraw/zinc/84/37/38/562843738.db2.gz WOBIABMKPOLBMB-MOWVDAPGSA-O 1 0 724.011 3.765 1 0 KHAFRO CCn1c(=O)c(=C2Sc3ccc(OC)cc3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150525232 562843754 /nfs/dbraw/zinc/84/37/54/562843754.db2.gz HEPQKMQOEDQMTD-JTYWCPPLSA-O 1 0 724.011 3.765 1 0 KHAFRO COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3cc[nH]cc-3n2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000150547669 562844495 /nfs/dbraw/zinc/84/44/95/562844495.db2.gz CYWWTLLKOBOVPJ-SAQIKECMSA-N 1 0 806.965 3.873 1 0 KHAFRO CCN(c1nc(-c2ccnc(-c3cn(CCOCCOCCOCCOCCOCCOCC[NH3+])nn3)c2)cs1)c1cccc(C)c1 ZINC000150591558 562846275 /nfs/dbraw/zinc/84/62/75/562846275.db2.gz SAIUXCHWRPIGLN-UHFFFAOYSA-N 1 0 669.849 3.988 1 0 KHAFRO Cc1ncc(Cn2nc(I)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)s1 ZINC000165063321 562849833 /nfs/dbraw/zinc/84/98/33/562849833.db2.gz JYJSLERSUMRWQZ-UHFFFAOYSA-N 1 0 656.554 3.980 1 0 KHAFRO CC(C)[C@H]1CN(CC2CC[NH+](C)CC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nnc[nH]4)c(F)c3)c2n1 ZINC000165200412 562849864 /nfs/dbraw/zinc/84/98/64/562849864.db2.gz UEXWYWBOKHJDMA-HSZRJFAPSA-N 1 0 517.613 3.929 1 0 KHAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](CCO)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000165280402 562850050 /nfs/dbraw/zinc/85/00/50/562850050.db2.gz PYEXTMFLDFXYJP-UHFFFAOYSA-N 1 0 637.667 3.694 1 0 KHAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH2+]CC3)nc12 ZINC000166170646 562850322 /nfs/dbraw/zinc/85/03/22/562850322.db2.gz ZEHDSJDDRCVOSM-UHFFFAOYSA-N 1 0 523.523 3.735 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)ccc1OC ZINC000166592823 562850463 /nfs/dbraw/zinc/85/04/63/562850463.db2.gz HJUAMMPYICMYRP-AHKZPQOWSA-N 1 0 569.724 3.681 1 0 KHAFRO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2cccc(F)c2F)=C1 ZINC000166944776 562850517 /nfs/dbraw/zinc/85/05/17/562850517.db2.gz BXFVYQXRSWCGMU-JOCHJYFZSA-N 1 0 506.557 3.773 1 0 KHAFRO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2cccc(F)c2F)=C1 ZINC000166944882 562850501 /nfs/dbraw/zinc/85/05/01/562850501.db2.gz BXFVYQXRSWCGMU-QFIPXVFZSA-N 1 0 506.557 3.773 1 0 KHAFRO C[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)cc2)CC1 ZINC000166966926 562850499 /nfs/dbraw/zinc/85/04/99/562850499.db2.gz FHUWKHABHJSQGZ-UHFFFAOYSA-N 1 0 510.602 3.737 1 0 KHAFRO COc1ccc(C(=O)NC2=CC([C@@H](CC[NH+](C)C)Nc3ncnc4c(C(N)=O)cccc34)=CCC2)c(F)c1 ZINC000166970263 562850484 /nfs/dbraw/zinc/85/04/84/562850484.db2.gz GSWYQMZWPSIFDH-XMMPIXPASA-N 1 0 518.593 3.643 1 0 KHAFRO COc1ccc(C(=O)NC2=CC([C@H](CC[NH+](C)C)Nc3ncnc4c(C(N)=O)cccc34)=CCC2)c(F)c1 ZINC000166970372 562850591 /nfs/dbraw/zinc/85/05/91/562850591.db2.gz GSWYQMZWPSIFDH-DEOSSOPVSA-N 1 0 518.593 3.643 1 0 KHAFRO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166973797 562850567 /nfs/dbraw/zinc/85/05/67/562850567.db2.gz SHHVFBHRTMUGBM-ZBLYBZFDSA-N 1 0 500.607 3.537 1 0 KHAFRO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166973909 562850535 /nfs/dbraw/zinc/85/05/35/562850535.db2.gz SHHVFBHRTMUGBM-IDISGSTGSA-N 1 0 500.607 3.537 1 0 KHAFRO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166974015 562850537 /nfs/dbraw/zinc/85/05/37/562850537.db2.gz SHHVFBHRTMUGBM-JIPXPUAJSA-N 1 0 500.607 3.537 1 0 KHAFRO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@H](O)c2cc(C3CC3)n[nH]2)c1 ZINC000166974132 562850579 /nfs/dbraw/zinc/85/05/79/562850579.db2.gz SHHVFBHRTMUGBM-KDYSTLNUSA-N 1 0 500.607 3.537 1 0 KHAFRO C[NH+](C)CCNC(=O)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000166984641 562850550 /nfs/dbraw/zinc/85/05/50/562850550.db2.gz VNQGYSYYWYWSPN-XMMPIXPASA-N 1 0 604.509 3.965 1 0 KHAFRO C[NH+](C)CCNC(=O)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000166984743 562850555 /nfs/dbraw/zinc/85/05/55/562850555.db2.gz VNQGYSYYWYWSPN-DEOSSOPVSA-N 1 0 604.509 3.965 1 0 KHAFRO C[NH+](C)CCCO[C@H]1C=CC(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1 ZINC000167003629 562850590 /nfs/dbraw/zinc/85/05/90/562850590.db2.gz KFYFFELQRLSBEN-QFIPXVFZSA-N 1 0 500.603 3.503 1 0 KHAFRO C[NH+](C)CCCO[C@@H]1C=CC(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1 ZINC000167003712 562850570 /nfs/dbraw/zinc/85/05/70/562850570.db2.gz KFYFFELQRLSBEN-JOCHJYFZSA-N 1 0 500.603 3.503 1 0 KHAFRO CC[NH+](CC)CCNCc1cc(C(N)=O)c2ncnc(NCc3cccc(N[C@@H](O)c4ccc(OC)cc4)c3)c2c1 ZINC000167007753 562850546 /nfs/dbraw/zinc/85/05/46/562850546.db2.gz JLOVLGWBSKSKJB-HKBQPEDESA-N 1 0 557.699 3.884 1 0 KHAFRO CC[NH+](CC)CCNCc1cc(C(N)=O)c2ncnc(NCc3cccc(N[C@H](O)c4ccc(OC)cc4)c3)c2c1 ZINC000167007862 562850585 /nfs/dbraw/zinc/85/05/85/562850585.db2.gz JLOVLGWBSKSKJB-WJOKGBTCSA-N 1 0 557.699 3.884 1 0 KHAFRO CC[NH+](CC)CCO[C@H]1C=CC([C@@H](O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1 ZINC000167030962 562850611 /nfs/dbraw/zinc/85/06/11/562850611.db2.gz HZUXHEBYLGLOGZ-MUAVYFROSA-N 1 0 516.646 3.684 1 0 KHAFRO CC[NH+](CC)CCO[C@@H]1C=CC([C@@H](O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1 ZINC000167031069 562850634 /nfs/dbraw/zinc/85/06/34/562850634.db2.gz HZUXHEBYLGLOGZ-RNWIMVQKSA-N 1 0 516.646 3.684 1 0 KHAFRO CC[NH+](CC)CCO[C@H]1C=CC([C@H](O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1 ZINC000167031180 562850630 /nfs/dbraw/zinc/85/06/30/562850630.db2.gz HZUXHEBYLGLOGZ-IADCTJSHSA-N 1 0 516.646 3.684 1 0 KHAFRO CC[NH+](CC)CCO[C@@H]1C=CC([C@H](O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1 ZINC000167031292 562850625 /nfs/dbraw/zinc/85/06/25/562850625.db2.gz HZUXHEBYLGLOGZ-BTYSJIOQSA-N 1 0 516.646 3.684 1 0 KHAFRO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2c(F)cccc2F)=C1 ZINC000167034647 562850616 /nfs/dbraw/zinc/85/06/16/562850616.db2.gz AXENBBKNBUDYQA-JOCHJYFZSA-N 1 0 506.557 3.773 1 0 KHAFRO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2c(F)cccc2F)=C1 ZINC000167034762 562850603 /nfs/dbraw/zinc/85/06/03/562850603.db2.gz AXENBBKNBUDYQA-QFIPXVFZSA-N 1 0 506.557 3.773 1 0 KHAFRO O=C(NC[C@@H]1CCC[NH2+]1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167613060 562851010 /nfs/dbraw/zinc/85/10/10/562851010.db2.gz DXUSAGFUTINQAE-FXAWDEMLSA-N 1 0 513.476 3.979 1 0 KHAFRO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167613175 562851008 /nfs/dbraw/zinc/85/10/08/562851008.db2.gz DXUSAGFUTINQAE-PXNSSMCTSA-N 1 0 513.476 3.979 1 0 KHAFRO O=C(NC[C@H]1CCC[NH2+]1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167613284 562850994 /nfs/dbraw/zinc/85/09/94/562850994.db2.gz DXUSAGFUTINQAE-YLJYHZDGSA-N 1 0 513.476 3.979 1 0 KHAFRO O=C(NC[C@H]1CCC[NH2+]1)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167613395 562851001 /nfs/dbraw/zinc/85/10/01/562851001.db2.gz DXUSAGFUTINQAE-XLIONFOSSA-N 1 0 513.476 3.979 1 0 KHAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1 ZINC000167964887 562851156 /nfs/dbraw/zinc/85/11/56/562851156.db2.gz GVZBKXOTKRMBFS-QFIPXVFZSA-N 1 0 500.628 3.930 1 0 KHAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cc(-c5ccncc5)n[nH]4)c3)sc2C1 ZINC000167975252 562851228 /nfs/dbraw/zinc/85/12/28/562851228.db2.gz OYVGQSGKZVXNJO-IBGZPJMESA-N 1 0 501.616 3.529 1 0 KHAFRO C[NH+](C)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)c2c1 ZINC000168191493 562851308 /nfs/dbraw/zinc/85/13/08/562851308.db2.gz OMRUWHFZQGLMRI-UHFFFAOYSA-N 1 0 554.655 3.529 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)N(C)Cc2ccccc2)C(C)C)ccc1OC ZINC000168248831 562851296 /nfs/dbraw/zinc/85/12/96/562851296.db2.gz UMEJXUAINGSNSP-RPLLCQBOSA-N 1 0 527.662 3.818 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(Br)cc1)C21CC1 ZINC000168334631 562851301 /nfs/dbraw/zinc/85/13/01/562851301.db2.gz LOVLHJRODMKSJW-KAOXLYBCSA-N 1 0 500.481 3.886 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1cnc(Br)c(F)c1)C21CC1 ZINC000168382743 562851351 /nfs/dbraw/zinc/85/13/51/562851351.db2.gz ZWTFFAWGDFSENC-PIKOESSRSA-N 1 0 505.432 3.742 1 0 KHAFRO CN1CCC[N@H+](CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168410144 562851374 /nfs/dbraw/zinc/85/13/74/562851374.db2.gz YVKHGTZYCVGOAW-UEQSERJNSA-N 1 0 529.523 3.750 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(I)cc1)C21CC1 ZINC000168412025 562851381 /nfs/dbraw/zinc/85/13/81/562851381.db2.gz JBMXWYZSNRXMSY-KAOXLYBCSA-N 1 0 547.481 3.728 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1csc(Br)c1)C21CC1 ZINC000168417910 562851388 /nfs/dbraw/zinc/85/13/88/562851388.db2.gz DKORGRRTOLTCQX-KOUHRCEDSA-N 1 0 506.510 3.947 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1cccc(Br)c1)C21CC1 ZINC000168429243 562851390 /nfs/dbraw/zinc/85/13/90/562851390.db2.gz VRQRBHIDDPMMJZ-KAOXLYBCSA-N 1 0 500.481 3.886 1 0 KHAFRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168435226 562851420 /nfs/dbraw/zinc/85/14/20/562851420.db2.gz QKQZSPOQOGAQBO-UEQSERJNSA-N 1 0 529.523 3.750 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)Nc1cnc(Br)c(F)c1)C21CC1 ZINC000168436012 562851391 /nfs/dbraw/zinc/85/13/91/562851391.db2.gz LTXLLWLOPKTFIP-PIKOESSRSA-N 1 0 507.448 3.966 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCCc1ccc(Br)cc1)C21CC1 ZINC000168439035 562851400 /nfs/dbraw/zinc/85/14/00/562851400.db2.gz DTOZGFVOMKKWQD-UEQSERJNSA-N 1 0 514.508 3.928 1 0 KHAFRO O=C(Nc1ccc(Br)cc1)[C@H]1[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH+]3CCCC3)OC2)[C@H]2C=C[C@@H]1C21CC1 ZINC000168442278 562851434 /nfs/dbraw/zinc/85/14/34/562851434.db2.gz UYKKRXUJKYPTRZ-AMYLDRNJSA-N 1 0 528.491 3.976 1 0 KHAFRO COc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCC[NH+]3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1Br ZINC000168547358 562851465 /nfs/dbraw/zinc/85/14/65/562851465.db2.gz WIHOXQQBJXITBO-RRJCBXKSSA-N 1 0 544.534 3.937 1 0 KHAFRO CCCN1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000169292216 562851999 /nfs/dbraw/zinc/85/19/99/562851999.db2.gz INPOAGGWPPCRMS-ZEQRLZLVSA-N 1 0 594.704 3.667 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@H]([NH2+]C(C)C)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000169293123 562852064 /nfs/dbraw/zinc/85/20/64/562852064.db2.gz HTGCOGKGWKXISK-NMNUPHIUSA-N 1 0 565.662 3.573 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2ccc3[nH]ccc3c2)C1 ZINC000169293179 562852057 /nfs/dbraw/zinc/85/20/57/562852057.db2.gz RLHHXPKOCQVXFH-JRFVFWCSSA-N 1 0 515.580 3.674 1 0 KHAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2ccc3[nH]ccc3c2)C1 ZINC000169293181 562852062 /nfs/dbraw/zinc/85/20/62/562852062.db2.gz RLHHXPKOCQVXFH-NHTMILBNSA-N 1 0 515.580 3.674 1 0 KHAFRO CCCCN1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000169293714 562852136 /nfs/dbraw/zinc/85/21/36/562852136.db2.gz ZLCNHSCBXLSFMN-ZEQRLZLVSA-N 1 0 551.679 3.888 1 0 KHAFRO CCc1[nH]c2nc(Sc3ccc4c(c3)nc(C(=O)[O-])cc4N3CC[C@@H]([NH3+])C3)nc(N3CC[C@@H]([NH3+])C3)c2c1Cl ZINC000169295627 562852385 /nfs/dbraw/zinc/85/23/85/562852385.db2.gz UMTVNPRGXWUICJ-ZIAGYGMSSA-N 1 0 553.092 3.646 1 0 KHAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H]([NH2+]Cc3cccc(OC(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000169300184 562852781 /nfs/dbraw/zinc/85/27/81/562852781.db2.gz VDLAKWBRPSVZBP-XPLIUGCLSA-N 1 0 562.626 3.592 1 0 KHAFRO O=C(NCC[NH+]1CCCC1)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)NS(=O)(=O)c1cccc2cnccc21 ZINC000169305522 562853427 /nfs/dbraw/zinc/85/34/27/562853427.db2.gz BIORIMNOHKITBT-PMERELPUSA-N 1 0 659.790 3.652 1 0 KHAFRO C[NH+]1CCN(CCCN2N=C3/C(=C/c4ccc([S@](C)=O)cc4)CSC[C@@H]3[C@@H]2c2ccc([S@@](C)=O)cc2)CC1 ZINC000169306279 562853544 /nfs/dbraw/zinc/85/35/44/562853544.db2.gz VQRAMUPQOFYBNQ-PYDLJFPISA-N 1 0 570.850 3.958 1 0 KHAFRO Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 ZINC000169308463 562854081 /nfs/dbraw/zinc/85/40/81/562854081.db2.gz PWXLLCXDDUKGRD-ZYADHFCISA-N 1 0 683.894 3.661 1 0 KHAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCN3CCN(CCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)CC3)c2)n1 ZINC000169310619 562854917 /nfs/dbraw/zinc/85/49/17/562854917.db2.gz UZLAZBPSXWZCAF-UHFFFAOYSA-N 1 0 849.371 3.906 1 0 KHAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc(N)nc1 ZINC000169311238 562855040 /nfs/dbraw/zinc/85/50/40/562855040.db2.gz UKUKMYNQIZPWGJ-UHFFFAOYSA-N 1 0 527.551 3.638 1 0 KHAFRO CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000169311421 562855139 /nfs/dbraw/zinc/85/51/39/562855139.db2.gz PNMRMEXSPUOBKG-OAQYLSRUSA-N 1 0 507.635 3.956 1 0 KHAFRO CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000169311423 562855162 /nfs/dbraw/zinc/85/51/62/562855162.db2.gz PNMRMEXSPUOBKG-NRFANRHFSA-N 1 0 507.635 3.956 1 0 KHAFRO CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000169311431 562855156 /nfs/dbraw/zinc/85/51/56/562855156.db2.gz WRGVSXGTBXDVQW-UHFFFAOYSA-N 1 0 506.651 3.745 1 0 KHAFRO Cc1cc(NC(=O)CCCCC[NH3+])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000169312356 562855357 /nfs/dbraw/zinc/85/53/57/562855357.db2.gz MYYVVOYMOMHLFD-GJWDTHQGSA-N 1 0 759.970 3.683 1 0 KHAFRO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000169321182 562856595 /nfs/dbraw/zinc/85/65/95/562856595.db2.gz IRWOUNPLRNXEGV-CHQNGUEUSA-N 1 0 577.685 3.899 1 0 KHAFRO O[C@@](Cn1cncn1)(C[NH+]1CCC(OCc2cccc(Br)c2)CC1)c1ccc(F)cc1F ZINC000169323137 562856939 /nfs/dbraw/zinc/85/69/39/562856939.db2.gz LUTYRYRWPCVQFO-HSZRJFAPSA-N 1 0 507.379 3.888 1 0 KHAFRO O[C@](Cn1cncn1)(C[NH+]1CCC(OCc2cccc(Br)c2)CC1)c1ccc(F)cc1F ZINC000169323140 562856961 /nfs/dbraw/zinc/85/69/61/562856961.db2.gz LUTYRYRWPCVQFO-QHCPKHFHSA-N 1 0 507.379 3.888 1 0 KHAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(/C=C/S(=O)(=O)c4ccc(F)cc4)cc32)c(C)c1C(=O)NCC[NH+](C)C ZINC000169323184 562856972 /nfs/dbraw/zinc/85/69/72/562856972.db2.gz KATJCNPQYUGNEL-AIEPUDQMSA-N 1 0 536.629 3.999 1 0 KHAFRO CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-c3ccccc3F)c2)CC1 ZINC000169323386 562857011 /nfs/dbraw/zinc/85/70/11/562857011.db2.gz VPYOLAUMEZMPRQ-LJAQVGFWSA-N 1 0 607.752 3.821 1 0 KHAFRO CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)CC1 ZINC000169323391 562857034 /nfs/dbraw/zinc/85/70/34/562857034.db2.gz QKFPHEOMPPRNOV-LJAQVGFWSA-N 1 0 607.752 3.821 1 0 KHAFRO CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000169323398 562857026 /nfs/dbraw/zinc/85/70/26/562857026.db2.gz UZAPSPCUEVCDFJ-LJAQVGFWSA-N 1 0 607.752 3.821 1 0 KHAFRO CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1 ZINC000169323425 562857049 /nfs/dbraw/zinc/85/70/49/562857049.db2.gz XEYMSPYAMSNLLU-PMERELPUSA-N 1 0 649.814 3.699 1 0 KHAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N3CCCC[C@@H]3C2=O)c1 ZINC000169326910 562857880 /nfs/dbraw/zinc/85/78/80/562857880.db2.gz FNHOMRUJSBDFQG-AREMUKBSSA-N 1 0 596.692 3.778 1 0 KHAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N3CCCC[C@H]3C2=O)c1 ZINC000169326912 562857887 /nfs/dbraw/zinc/85/78/87/562857887.db2.gz FNHOMRUJSBDFQG-SANMLTNESA-N 1 0 596.692 3.778 1 0 KHAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@@H](C(C)C)C2=O)c1 ZINC000169326918 562857868 /nfs/dbraw/zinc/85/78/68/562857868.db2.gz HXABAPFOIPDXTC-NDEPHWFRSA-N 1 0 598.708 3.880 1 0 KHAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@H](C(C)C)C2=O)c1 ZINC000169326920 562857882 /nfs/dbraw/zinc/85/78/82/562857882.db2.gz HXABAPFOIPDXTC-MUUNZHRXSA-N 1 0 598.708 3.880 1 0 KHAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169329327 562858480 /nfs/dbraw/zinc/85/84/80/562858480.db2.gz JBNBAFROSOFGEI-URXFXBBRSA-N 1 0 514.630 3.852 1 0 KHAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169329328 562858529 /nfs/dbraw/zinc/85/85/29/562858529.db2.gz JBNBAFROSOFGEI-XUZZJYLKSA-N 1 0 514.630 3.852 1 0 KHAFRO COC[C@H](C)[N@@H+]1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329335 562858514 /nfs/dbraw/zinc/85/85/14/562858514.db2.gz GUKFCDIGTOYSAN-FPOVZHCZSA-N 1 0 502.619 3.708 1 0 KHAFRO CN(C)S(=O)(=O)c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CC[NH+](C)CC4)cc32)c1 ZINC000169329655 562858582 /nfs/dbraw/zinc/85/85/82/562858582.db2.gz WAEMAPOJKZWSGK-UHFFFAOYSA-N 1 0 507.582 3.868 1 0 KHAFRO C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCC[NH3+])CCC1=O ZINC000169330778 562858780 /nfs/dbraw/zinc/85/87/80/562858780.db2.gz QEOXEVGKIRZJDO-PGUFJCEWSA-N 1 0 794.010 3.948 1 0 KHAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@@H]5CCOC5)C4)c(=O)c3n2)c1 ZINC000169331011 562858856 /nfs/dbraw/zinc/85/88/56/562858856.db2.gz JLABJTKEDUXGHN-VXKWHMMOSA-N 1 0 514.630 3.710 1 0 KHAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@H]5CCOC5)C4)c(=O)c3n2)c1 ZINC000169331013 562858808 /nfs/dbraw/zinc/85/88/08/562858808.db2.gz JLABJTKEDUXGHN-FCHUYYIVSA-N 1 0 514.630 3.710 1 0 KHAFRO COc1ccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@H]5CCCO5)C4)c(=O)c3n2)cc1 ZINC000169331023 562858848 /nfs/dbraw/zinc/85/88/48/562858848.db2.gz MZKMVRKRCTUJCP-XUZZJYLKSA-N 1 0 514.630 3.852 1 0 KHAFRO COc1ccccc1N1CC[NH+](CCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1 ZINC000169332144 562859116 /nfs/dbraw/zinc/85/91/16/562859116.db2.gz WRFRTCQJMMIOLF-UHFFFAOYSA-N 1 0 504.056 3.800 1 0 KHAFRO C[C@@H](N=NC(N)N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)cc2)cc1 ZINC000169334096 562859434 /nfs/dbraw/zinc/85/94/34/562859434.db2.gz RFNJDJDCESCGJZ-LJQANCHMSA-O 1 0 523.621 3.808 1 0 KHAFRO C[C@H](N=NC(N)N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)cc2)cc1 ZINC000169334099 562859422 /nfs/dbraw/zinc/85/94/22/562859422.db2.gz RFNJDJDCESCGJZ-IBGZPJMESA-O 1 0 523.621 3.808 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2O[C@H](c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334766 562859541 /nfs/dbraw/zinc/85/95/41/562859541.db2.gz MWWLLIDZWZOJHV-XXOGMFJZSA-N 1 0 552.619 3.514 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2O[C@H](c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334768 562859535 /nfs/dbraw/zinc/85/95/35/562859535.db2.gz MWWLLIDZWZOJHV-PSXJHXMVSA-N 1 0 552.619 3.514 1 0 KHAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334833 562859544 /nfs/dbraw/zinc/85/95/44/562859544.db2.gz CROUCJVEBUMCMX-YKONGUHWSA-N 1 0 602.654 3.939 1 0 KHAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334836 562859561 /nfs/dbraw/zinc/85/95/61/562859561.db2.gz CROUCJVEBUMCMX-GPFDADSCSA-N 1 0 602.654 3.939 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334837 562859556 /nfs/dbraw/zinc/85/95/56/562859556.db2.gz CROUCJVEBUMCMX-LYWSVWQJSA-N 1 0 602.654 3.939 1 0 KHAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334839 562859557 /nfs/dbraw/zinc/85/95/57/562859557.db2.gz CROUCJVEBUMCMX-DWFQSRECSA-N 1 0 602.654 3.939 1 0 KHAFRO COc1cc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)N2CCN(CC[NH+](C)C)CC2)cc(OC)c1 ZINC000169340238 562860586 /nfs/dbraw/zinc/86/05/86/562860586.db2.gz QRDKGYDBWCBKAJ-HHHXNRCGSA-N 1 0 510.679 3.587 1 0 KHAFRO COc1cc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)N2CCN(CC[NH+](C)C)CC2)cc(OC)c1 ZINC000169340240 562860580 /nfs/dbraw/zinc/86/05/80/562860580.db2.gz QRDKGYDBWCBKAJ-MHZLTWQESA-N 1 0 510.679 3.587 1 0 KHAFRO CC(C)C[N@@H+]1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@@H]36)[C@H]1C5 ZINC000169341279 562860817 /nfs/dbraw/zinc/86/08/17/562860817.db2.gz UPAZZKNYLSZQFB-HJGLZJKISA-N 1 0 502.611 3.569 1 0 KHAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1ccc(-c3cn(CCOCCF)nn3)cc1)CC2 ZINC000169341787 562860912 /nfs/dbraw/zinc/86/09/12/562860912.db2.gz XQZMOJVLPUOEAY-UHFFFAOYSA-N 1 0 525.625 3.517 1 0 KHAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1ccc(-c3cn(CCOCCOCCF)nn3)cc1)CC2 ZINC000169341788 562860873 /nfs/dbraw/zinc/86/08/73/562860873.db2.gz ZGQXKCHQZIRZCO-UHFFFAOYSA-N 1 0 569.678 3.533 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000169342996 562861106 /nfs/dbraw/zinc/86/11/06/562861106.db2.gz DBXBILMEEVCMPM-DNZIZEQUSA-N 1 0 544.700 3.724 1 0 KHAFRO CNC(=O)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](COC)C2)c(Cl)c1 ZINC000169343911 562861299 /nfs/dbraw/zinc/86/12/99/562861299.db2.gz QQLBKYNSZMSSMU-JOCHJYFZSA-N 1 0 506.478 3.550 1 0 KHAFRO COc1c(Br)cc(/C=C/C(=O)NCCCOCCCCOCCC[NH3+])cc1Br ZINC000169346613 562861843 /nfs/dbraw/zinc/86/18/43/562861843.db2.gz MNAAJSJPBZIRAU-VOTSOKGWSA-N 1 0 522.278 3.902 1 0 KHAFRO CC[N@H+](C)CCCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1 ZINC000169346894 562861860 /nfs/dbraw/zinc/86/18/60/562861860.db2.gz OPNCIJXMGWBLBB-UHFFFAOYSA-N 1 0 563.164 3.901 1 0 KHAFRO COc1cc(/C=C/C(=O)NCCn2c(C[NH2+]C3CCN(C)CC3)cc3ccccc32)cc(OC)c1OC ZINC000169347568 562862023 /nfs/dbraw/zinc/86/20/23/562862023.db2.gz YQWLFEMRUBKAEX-MDZDMXLPSA-N 1 0 506.647 3.681 1 0 KHAFRO CC[C@H]1OC(=O)O[C@@]1(C)[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2OC(C)=O)[C@@]2(C)C[C@@H](C)[C@H](O2)[C@@H]1C ZINC000169347889 562862102 /nfs/dbraw/zinc/86/21/02/562862102.db2.gz MERKJWTYESZTBB-VWCIMHLBSA-N 1 0 625.756 3.659 1 0 KHAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348457 562862261 /nfs/dbraw/zinc/86/22/61/562862261.db2.gz UUPQPPUJJLICAM-MHZLTWQESA-N 1 0 592.737 3.785 1 0 KHAFRO O[C@@](Cn1cncn1)(C[NH+]1CCC(n2cc(-c3ccc(Br)cc3)nn2)CC1)c1ccc(F)cc1F ZINC000169353842 562863587 /nfs/dbraw/zinc/86/35/87/562863587.db2.gz PPSRBUYOVGEQES-XMMPIXPASA-N 1 0 544.404 3.802 1 0 KHAFRO O[C@](Cn1cncn1)(C[NH+]1CCC(n2cc(-c3ccc(Br)cc3)nn2)CC1)c1ccc(F)cc1F ZINC000169353843 562863580 /nfs/dbraw/zinc/86/35/80/562863580.db2.gz PPSRBUYOVGEQES-DEOSSOPVSA-N 1 0 544.404 3.802 1 0 KHAFRO O[C@@](Cn1cncn1)(C[NH+]1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)CC1)c1ccc(F)cc1F ZINC000169353849 562863598 /nfs/dbraw/zinc/86/35/98/562863598.db2.gz SBZAUSQLRPMUNU-XMMPIXPASA-N 1 0 549.504 3.938 1 0 KHAFRO O[C@](Cn1cncn1)(C[NH+]1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)CC1)c1ccc(F)cc1F ZINC000169353850 562863602 /nfs/dbraw/zinc/86/36/02/562863602.db2.gz SBZAUSQLRPMUNU-DEOSSOPVSA-N 1 0 549.504 3.938 1 0 KHAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169354199 562863635 /nfs/dbraw/zinc/86/36/35/562863635.db2.gz JANLTTGWVGUGII-LBNVMWSVSA-N 1 0 534.694 3.690 1 0 KHAFRO COc1ccc(CC[N@@H+]2C[C@@H](CNC(=O)Cc3cccnc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000169357347 562863914 /nfs/dbraw/zinc/86/39/14/562863914.db2.gz XUIXVUXJOLQQHE-XNMGPUDCSA-N 1 0 502.659 3.782 1 0 KHAFRO CC(=O)O[C@H]1[C@H](O)[C@H](O)CO[C@H]1OC/C1=C/[C@@H]2[C@@H](C(C)C)CC=C(C)[C@@H]2C[C@H](OC(=O)/C=C/c2cn(C)cn2)[C@]2(C)C=C[C@@]1(OCC(C)(C)CO)O2 ZINC000169358237 562863975 /nfs/dbraw/zinc/86/39/75/562863975.db2.gz QDIHVYNYWHNLAO-LUCLAKNASA-N 1 0 728.880 3.633 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nncn43)CC2)C1 ZINC000169361054 562864184 /nfs/dbraw/zinc/86/41/84/562864184.db2.gz KXDBCLMIQPHIKC-DNZIZEQUSA-N 1 0 544.700 3.724 1 0 KHAFRO COc1ccc([C@@H]2c3c(ccc4ccccc43)O[C@@H]3N=CN(CCN4CCOCC4)C(=[NH2+])[C@H]23)cc1OC ZINC000169361334 562864199 /nfs/dbraw/zinc/86/41/99/562864199.db2.gz KXQOFIBQDVMOOJ-WBJKNQCFSA-N 1 0 500.599 3.977 1 0 KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@@H]3[C@@H](C=C2)CCC[N@@H+]3CCNC(C)=O)cc1 ZINC000169363151 562864322 /nfs/dbraw/zinc/86/43/22/562864322.db2.gz DNDZDOQKOIGLKC-YCLCTBJKSA-N 1 0 618.775 3.673 1 0 KHAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@@H]3[C@H](C=C2)CCC[N@@H+]3CCNC(C)=O)cc1 ZINC000169363152 562864308 /nfs/dbraw/zinc/86/43/08/562864308.db2.gz DNDZDOQKOIGLKC-LTXBTDFWSA-N 1 0 618.775 3.673 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nonc4n3)CC2)C1 ZINC000169368033 562864597 /nfs/dbraw/zinc/86/45/97/562864597.db2.gz ZRYOTPJBMKOUMB-KAMZKSLDSA-N 1 0 546.672 3.612 1 0 KHAFRO COC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000169369543 562864709 /nfs/dbraw/zinc/86/47/09/562864709.db2.gz ZQSJJTDVDYTSRZ-MUAVYFROSA-N 1 0 516.598 3.607 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH2+]C(C)C)C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000169371278 562864787 /nfs/dbraw/zinc/86/47/87/562864787.db2.gz KDLAGKSXCOULBD-MZYLBHOOSA-N 1 0 550.647 3.991 1 0 KHAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@H]([NH2+]C(C)C)C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000169371279 562864785 /nfs/dbraw/zinc/86/47/85/562864785.db2.gz KDLAGKSXCOULBD-WWNPGLIZSA-N 1 0 550.647 3.991 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OC[C@@H](C)NC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000169685738 562865095 /nfs/dbraw/zinc/86/50/95/562865095.db2.gz VHQAZGVURZXKGM-CQSZACIVSA-N 1 0 545.413 3.845 1 0 KHAFRO C=CC(=O)Nc1cc2c(cc1OC[C@H](C)NC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000169685739 562865065 /nfs/dbraw/zinc/86/50/65/562865065.db2.gz VHQAZGVURZXKGM-AWEZNQCLSA-N 1 0 545.413 3.845 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000169692946 562865159 /nfs/dbraw/zinc/86/51/59/562865159.db2.gz CNWZAPSUIANDKJ-ZQTBNDFDSA-N 1 0 626.798 3.956 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000169692948 562865169 /nfs/dbraw/zinc/86/51/69/562865169.db2.gz CNWZAPSUIANDKJ-DYTOPAQESA-N 1 0 626.798 3.956 1 0 KHAFRO CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H]5COCC[NH2+]5)cc4)no3)n2)cc1 ZINC000169694044 562865155 /nfs/dbraw/zinc/86/51/55/562865155.db2.gz IXGKDJWUPZRAPM-QHCPKHFHSA-N 1 0 505.600 3.891 1 0 KHAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(S(=O)(=O)NCCN4CC[NH2+]CC4)c3)nnc2c1 ZINC000169694141 562865224 /nfs/dbraw/zinc/86/52/24/562865224.db2.gz NSENOIYPPVRJAX-UHFFFAOYSA-N 1 0 531.686 3.544 1 0 KHAFRO O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1 ZINC000169697784 562866610 /nfs/dbraw/zinc/86/66/10/562866610.db2.gz OAJGXENFHGSLRB-RUZDIDTESA-N 1 0 608.819 3.674 1 0 KHAFRO O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](c3ccccc3)N3CC[NH2+]CC3)s2)s1 ZINC000169697785 562866604 /nfs/dbraw/zinc/86/66/04/562866604.db2.gz OAJGXENFHGSLRB-VWLOTQADSA-N 1 0 608.819 3.674 1 0 KHAFRO [NH3+]Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698234 562867022 /nfs/dbraw/zinc/86/70/22/562867022.db2.gz XQQDUMPAIYZLDT-UHFFFAOYSA-N 1 0 515.643 3.715 1 0 KHAFRO [NH3+]Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698264 562867073 /nfs/dbraw/zinc/86/70/73/562867073.db2.gz VQSHSSCJSCXHQE-UHFFFAOYSA-N 1 0 515.643 3.715 1 0 KHAFRO [NH3+]Cc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1 ZINC000169698305 562867129 /nfs/dbraw/zinc/86/71/29/562867129.db2.gz XPXXXBDSWRHGQX-UHFFFAOYSA-N 1 0 515.643 3.715 1 0 KHAFRO C[NH2+]Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698306 562867137 /nfs/dbraw/zinc/86/71/37/562867137.db2.gz WWHCPWJCETZWHF-UHFFFAOYSA-N 1 0 529.670 3.975 1 0 KHAFRO [NH3+]Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)[C@@H](O)c4cccc(Cl)c4)nn3)s2)c1 ZINC000169698324 562867125 /nfs/dbraw/zinc/86/71/25/562867125.db2.gz GYBOTLHFHNQCHS-VWLOTQADSA-N 1 0 566.087 3.859 1 0 KHAFRO [NH3+]Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)[C@H](O)c4cccc(Cl)c4)nn3)s2)c1 ZINC000169698325 562867107 /nfs/dbraw/zinc/86/71/07/562867107.db2.gz GYBOTLHFHNQCHS-RUZDIDTESA-N 1 0 566.087 3.859 1 0 KHAFRO [NH3+]Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1 ZINC000169698340 562867150 /nfs/dbraw/zinc/86/71/50/562867150.db2.gz KSFZPJVQKRWRKS-UHFFFAOYSA-N 1 0 521.672 3.776 1 0 KHAFRO [NH3+]CCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698345 562867155 /nfs/dbraw/zinc/86/71/55/562867155.db2.gz INXIYPAXNVSHNF-UHFFFAOYSA-N 1 0 529.670 3.757 1 0 KHAFRO [NH3+]Cc1ccccc1CC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698376 562867185 /nfs/dbraw/zinc/86/71/85/562867185.db2.gz FVMGBRBZAOBUSH-UHFFFAOYSA-N 1 0 515.643 3.715 1 0 KHAFRO O=C(Cc1ccc(F)c(CN2CC[NH2+]CC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698408 562867206 /nfs/dbraw/zinc/86/72/06/562867206.db2.gz LQEBMASUTAKUOQ-UHFFFAOYSA-N 1 0 602.740 3.800 1 0 KHAFRO O=C(Cc1cccc2c1C[NH2+]C2)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698673 562867461 /nfs/dbraw/zinc/86/74/61/562867461.db2.gz FZKQIALFNAKLCS-UHFFFAOYSA-N 1 0 527.654 3.859 1 0 KHAFRO C[NH2+][C@@H]1CCCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2CC(F)F)CC1 ZINC000169699269 562867557 /nfs/dbraw/zinc/86/75/57/562867557.db2.gz PPPGRICXWMZRSJ-GFCCVEGCSA-N 1 0 511.549 3.963 1 0 KHAFRO C[NH2+][C@@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(F)ccc4F)sc3N)cnn2CC(F)F)CC1 ZINC000169699270 562867558 /nfs/dbraw/zinc/86/75/58/562867558.db2.gz OHLXPQRLOHZCGT-CYBMUJFWSA-N 1 0 511.549 3.963 1 0 KHAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@H]([NH3+])CC(F)(F)C1 ZINC000169699340 562867582 /nfs/dbraw/zinc/86/75/82/562867582.db2.gz FKMRLOFGKUKLKK-JTQLQIEISA-N 1 0 533.502 3.947 1 0 KHAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@@H]([NH3+])CC(F)(F)C1 ZINC000169699341 562867574 /nfs/dbraw/zinc/86/75/74/562867574.db2.gz FKMRLOFGKUKLKK-SNVBAGLBSA-N 1 0 533.502 3.947 1 0 KHAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H]([NH+](C)C)CC(F)(F)C1 ZINC000169699349 562867562 /nfs/dbraw/zinc/86/75/62/562867562.db2.gz CHEQPTLSHMJMLI-LBPRGKRZSA-N 1 0 511.549 3.822 1 0 KHAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]([NH+](C)C)CC(F)(F)C1 ZINC000169699350 562867559 /nfs/dbraw/zinc/86/75/59/562867559.db2.gz CHEQPTLSHMJMLI-GFCCVEGCSA-N 1 0 511.549 3.822 1 0 KHAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)(F)F)c1N1CCCC[C@@H]([NH3+])C1 ZINC000169699352 562867571 /nfs/dbraw/zinc/86/75/71/562867571.db2.gz KIOSDOFXKMBGSG-LLVKDONJSA-N 1 0 515.512 3.999 1 0 KHAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)(F)F)c1N1CCCC[C@H]([NH3+])C1 ZINC000169699353 562867552 /nfs/dbraw/zinc/86/75/52/562867552.db2.gz KIOSDOFXKMBGSG-NSHDSACASA-N 1 0 515.512 3.999 1 0 KHAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H]([NH2+]CC2(C)COC2)CC1 ZINC000169699382 562867578 /nfs/dbraw/zinc/86/75/78/562867578.db2.gz VNRGLDZCEHQCQJ-HNNXBMFYSA-N 1 0 531.633 3.641 1 0 KHAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H]([NH+](CC2COC2)CC2COC2)CC1 ZINC000169699392 562867573 /nfs/dbraw/zinc/86/75/73/562867573.db2.gz UGZMQWFYUPPCAX-IBGZPJMESA-N 1 0 587.697 3.610 1 0 KHAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(I)c3F)sc2N)c1N1CC[C@@H]([NH3+])CC(F)(F)C1 ZINC000169699395 562867561 /nfs/dbraw/zinc/86/75/61/562867561.db2.gz BDJVNOCAYKIQQF-SECBINFHSA-N 1 0 609.391 3.824 1 0 KHAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)ccc(I)c3F)sc2N)c1N1CC[C@H]([NH3+])CC(F)(F)C1 ZINC000169699396 562867549 /nfs/dbraw/zinc/86/75/49/562867549.db2.gz BDJVNOCAYKIQQF-VIFPVBQESA-N 1 0 609.391 3.824 1 0 KHAFRO CS(=O)(=O)CCNC(=O)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700251 562867664 /nfs/dbraw/zinc/86/76/64/562867664.db2.gz IHBAUPOBPNAPEK-UNIVCBNLSA-N 1 0 568.498 3.942 1 0 KHAFRO [NH3+]CC[C@@H](Nc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1)c1cccc(Cl)c1 ZINC000169701277 562867999 /nfs/dbraw/zinc/86/79/99/562867999.db2.gz QETYPEAQOIAFIB-OAQYLSRUSA-N 1 0 507.042 3.691 1 0 KHAFRO [NH3+]CC[C@H](Nc1cccc(-c2cnc3c(NCCN4CCOCC4)nccn23)n1)c1cccc(Cl)c1 ZINC000169701278 562868005 /nfs/dbraw/zinc/86/80/05/562868005.db2.gz QETYPEAQOIAFIB-NRFANRHFSA-N 1 0 507.042 3.691 1 0 KHAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000169701395 562868004 /nfs/dbraw/zinc/86/80/04/562868004.db2.gz UNXQGBMZYKHQCO-UQBRPQJYSA-N 1 0 552.474 3.742 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)(C)C)CC2 ZINC000169702255 562868301 /nfs/dbraw/zinc/86/83/01/562868301.db2.gz RUMBUUDDJGEWTP-UHFFFAOYSA-N 1 0 503.651 3.849 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C1CCC1)CC2 ZINC000169702256 562868269 /nfs/dbraw/zinc/86/82/69/562868269.db2.gz XATKISSICGPOBU-UHFFFAOYSA-N 1 0 501.635 3.819 1 0 KHAFRO CCc1c2c(nn1C)CCc1cnc(Nc3cc(Cl)c(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000169702424 562868374 /nfs/dbraw/zinc/86/83/74/562868374.db2.gz UJPACUQIOCYUQU-UHFFFAOYSA-N 1 0 510.042 3.768 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)CC2 ZINC000169702426 562868394 /nfs/dbraw/zinc/86/83/94/562868394.db2.gz QASBDWXEBSHNHB-UHFFFAOYSA-N 1 0 507.614 3.814 1 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](CCO)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000169702440 562868405 /nfs/dbraw/zinc/86/84/05/562868405.db2.gz IDVUNDKPXBDOAH-UHFFFAOYSA-N 1 0 567.694 3.890 1 0 KHAFRO COCCn1nc2c(c1C1CC1)-c1nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc1CC2 ZINC000169702467 562868403 /nfs/dbraw/zinc/86/84/03/562868403.db2.gz IPLLOUXXKRUGLF-UHFFFAOYSA-N 1 0 531.661 3.539 1 0 KHAFRO Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3cc(C)c(Cl)c(C)c3)CC2)n1 ZINC000169702554 562868468 /nfs/dbraw/zinc/86/84/68/562868468.db2.gz TWVMIWIAGAWUTR-HSZRJFAPSA-N 1 0 526.081 3.956 1 0 KHAFRO CC(C)c1nn(-c2ccc(C(N)=O)c(NCC[NH+]3CCCC3)c2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703520 562868794 /nfs/dbraw/zinc/86/87/94/562868794.db2.gz DGYVJCWYKWZDDB-UHFFFAOYSA-N 1 0 538.660 3.737 1 0 KHAFRO CC1(O)CC([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)NCCO)ccc3-4)cc2)C1 ZINC000169703912 562868846 /nfs/dbraw/zinc/86/88/46/562868846.db2.gz YQYPEKJWQWODNB-UHFFFAOYSA-N 1 0 510.594 3.655 1 0 KHAFRO CC1(O)CC([NH3+])(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)NCCO)cc3-4)cc2)C1 ZINC000169703915 562868847 /nfs/dbraw/zinc/86/88/47/562868847.db2.gz DSGJESMBJIIZPG-UHFFFAOYSA-N 1 0 510.594 3.655 1 0 KHAFRO N/C(=C\CC(=[NH2+])N1CCOCC1)c1ccn2c(c1)ncc2-c1cccc(NC(=O)NCC(F)(F)F)c1 ZINC000169704606 562869048 /nfs/dbraw/zinc/86/90/48/562869048.db2.gz XEIJGSZLPPJMDB-FQSGDFESSA-N 1 0 501.513 3.684 1 0 KHAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NCC[NH+](C)C)ccn43)c12 ZINC000169706567 562869857 /nfs/dbraw/zinc/86/98/57/562869857.db2.gz LDVRLECUMOEANF-UHFFFAOYSA-N 1 0 524.629 3.542 1 0 KHAFRO Cn1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCC4)ccn32)c1=O ZINC000169706577 562869891 /nfs/dbraw/zinc/86/98/91/562869891.db2.gz SQYKGTPWRZMMIK-UHFFFAOYSA-N 1 0 537.624 3.645 1 0 KHAFRO C[NH2+]CCN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706893 562869909 /nfs/dbraw/zinc/86/99/09/562869909.db2.gz CMTNNQFGCHCRSZ-UHFFFAOYSA-N 1 0 500.655 3.748 1 0 KHAFRO CC[N@H+](CCO)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706904 562869911 /nfs/dbraw/zinc/86/99/11/562869911.db2.gz LMQLCRSBIMGSIN-UHFFFAOYSA-N 1 0 501.639 3.911 1 0 KHAFRO CN(C)CC[NH2+]C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706929 562869921 /nfs/dbraw/zinc/86/99/21/562869921.db2.gz DPIODVZRGWTHFY-UHFFFAOYSA-N 1 0 500.655 3.748 1 0 KHAFRO C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@@H]2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709700 562870467 /nfs/dbraw/zinc/87/04/67/562870467.db2.gz NMRAXUXPVQUDNG-GHTZIAJQSA-N 1 0 519.568 3.827 1 0 KHAFRO C[C@H](NC(=O)N1CCOCC1)c1ccc(O[C@H]2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709701 562870470 /nfs/dbraw/zinc/87/04/70/562870470.db2.gz NMRAXUXPVQUDNG-RXVVDRJESA-N 1 0 519.568 3.827 1 0 KHAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(OC)c3)c3nc(N4CC[NH+](C)CC4)ncc32)c1F ZINC000169709990 562870497 /nfs/dbraw/zinc/87/04/97/562870497.db2.gz VRBVJJNNGVPJKG-UHFFFAOYSA-N 1 0 557.627 3.673 1 0 KHAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CC[NH+](C)CC4)ncc32)c1F ZINC000169709995 562870504 /nfs/dbraw/zinc/87/05/04/562870504.db2.gz SIELDIVHIBIXDN-UHFFFAOYSA-N 1 0 556.643 3.838 1 0 KHAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CC[NH+](CCOC)CC4)ncc32)c1F ZINC000169709998 562870502 /nfs/dbraw/zinc/87/05/02/562870502.db2.gz RPTJDORVFYKUBD-UHFFFAOYSA-N 1 0 600.696 3.854 1 0 KHAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@@H]3CC[C@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 ZINC000169710328 562870588 /nfs/dbraw/zinc/87/05/88/562870588.db2.gz NZMHOAOQKJHRCU-RIPNLDRYSA-N 1 0 522.612 3.622 1 0 KHAFRO Cc1cc(C[NH+]2CCC(O)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711408 562870939 /nfs/dbraw/zinc/87/09/39/562870939.db2.gz ZIPDLRAYUOHHRR-UHFFFAOYSA-N 1 0 526.431 3.733 1 0 KHAFRO Cc1cc(C[NH+]2CCC(CO)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711409 562870905 /nfs/dbraw/zinc/87/09/05/562870905.db2.gz OFAVGJVTEGOTPA-UHFFFAOYSA-N 1 0 540.458 3.980 1 0 KHAFRO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711412 562870911 /nfs/dbraw/zinc/87/09/11/562870911.db2.gz REBAQHOYUXITBK-QFIPXVFZSA-N 1 0 526.431 3.733 1 0 KHAFRO Cc1cc(C[N@@H+]2CCC[C@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711414 562870900 /nfs/dbraw/zinc/87/09/00/562870900.db2.gz NSBRFCWUQBBDNA-QFIPXVFZSA-N 1 0 526.431 3.733 1 0 KHAFRO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711420 562870931 /nfs/dbraw/zinc/87/09/31/562870931.db2.gz REBAQHOYUXITBK-JOCHJYFZSA-N 1 0 526.431 3.733 1 0 KHAFRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711473 562870927 /nfs/dbraw/zinc/87/09/27/562870927.db2.gz PHXCTTREODBZTL-JOCHJYFZSA-N 1 0 541.446 3.518 1 0 KHAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CC[C@H](O)C5)cc4)c3)c(OC)cc21 ZINC000169711538 562871006 /nfs/dbraw/zinc/87/10/06/562871006.db2.gz OECTUYVQLQDUOQ-NRFANRHFSA-N 1 0 515.570 3.844 1 0 KHAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CC[C@@H](O)C5)cc4)c3)c(OC)cc21 ZINC000169711539 562870994 /nfs/dbraw/zinc/87/09/94/562870994.db2.gz OECTUYVQLQDUOQ-OAQYLSRUSA-N 1 0 515.570 3.844 1 0 KHAFRO C#[N+]c1cnc2c(NCC)nc(Nc3cc(C(F)F)cc(N4CCN(C5COC5)CC4)c3Cl)nn12 ZINC000169711955 562871209 /nfs/dbraw/zinc/87/12/09/562871209.db2.gz VWKPZETYLPHTBG-UHFFFAOYSA-N 1 0 503.945 3.962 1 0 KHAFRO CC(C)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169713123 562871253 /nfs/dbraw/zinc/87/12/53/562871253.db2.gz IEOVLRDXARFDHB-STVCLKQXSA-N 1 0 583.818 3.517 1 0 KHAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](NC(=O)CSc3cnc4ccccc4n3)C(=O)O[C@@]21C ZINC000169741558 562871411 /nfs/dbraw/zinc/87/14/11/562871411.db2.gz GIPLIWNVQLXFPN-OFVDRVHJSA-N 1 0 829.026 3.763 1 0 KHAFRO CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000195255964 562871600 /nfs/dbraw/zinc/87/16/00/562871600.db2.gz BUUSMCXWJODWGQ-GDLZYMKVSA-N 1 0 534.588 3.872 1 0 KHAFRO C[C@H]1c2[nH+]c(N)[nH]c2[C@]2(O)C[C@H]1c1c(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c[nH]c1C2=O ZINC000196012444 562872434 /nfs/dbraw/zinc/87/24/34/562872434.db2.gz DCPFQRFLBCNBTP-YFIHKKMCSA-N 1 0 546.385 3.656 1 0 KHAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cc7ccccc7[n+]([O-])c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000197909851 562872603 /nfs/dbraw/zinc/87/26/03/562872603.db2.gz ZLMRYDVTJLWLJQ-HNGSBMKYSA-N 1 0 644.857 3.965 1 0 KHAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000198066391 562872640 /nfs/dbraw/zinc/87/26/40/562872640.db2.gz VUBAEISRKSELTE-OGPKSRJFSA-N 1 0 721.655 3.873 1 0 KHAFRO COc1cc(C(=O)NN2CCN(C)CC2)ccc1Nc1ncc2nc(Nc3ccccc3)n(C(C)C)c2n1 ZINC000198982377 562872857 /nfs/dbraw/zinc/87/28/57/562872857.db2.gz RCODRVRIPGNRTG-UHFFFAOYSA-N 1 0 515.622 3.795 1 0 KHAFRO CC(C)(C)OC(=O)NC1CCC([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000199137936 562872906 /nfs/dbraw/zinc/87/29/06/562872906.db2.gz HAZIXYNHGMRKQR-UHFFFAOYSA-N 1 0 522.572 3.697 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(C[C@H]6CC[C@@H](C5)[NH2+]6)OC4=O)cn3)nc2n1C1CCCC1 ZINC000199163879 562872908 /nfs/dbraw/zinc/87/29/08/562872908.db2.gz NXBSKXQDBAMYIQ-NNGJEXKRSA-N 1 0 530.633 3.997 1 0 KHAFRO Cc1cccc(C[C@@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@@H]2[NH+]2CCCC2)c1 ZINC000199681456 562873025 /nfs/dbraw/zinc/87/30/25/562873025.db2.gz CGBSPKKOYSSZJQ-SXOMAYOGSA-N 1 0 508.688 3.823 1 0 KHAFRO Cc1cccc(C[C@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@@H]2[NH+]2CCCC2)c1 ZINC000199681472 562873018 /nfs/dbraw/zinc/87/30/18/562873018.db2.gz CGBSPKKOYSSZJQ-SVBPBHIXSA-N 1 0 508.688 3.823 1 0 KHAFRO Cc1cccc(C[C@@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@H]2[NH+]2CCCC2)c1 ZINC000199681485 562873055 /nfs/dbraw/zinc/87/30/55/562873055.db2.gz CGBSPKKOYSSZJQ-KAYWLYCHSA-N 1 0 508.688 3.823 1 0 KHAFRO Cc1cccc(C[C@H]2c3cc(OCCNS(=O)(=O)c4cn(C)cn4)ccc3CC[C@H]2[NH+]2CCCC2)c1 ZINC000199681497 562873039 /nfs/dbraw/zinc/87/30/39/562873039.db2.gz CGBSPKKOYSSZJQ-RRPNLBNLSA-N 1 0 508.688 3.823 1 0 KHAFRO Cn1nc(-c2cccc(N3Cc4cc(C(C)(C)C)sc4C3=O)c2CO)cc(Nc2cc3n(n2)CC[N@H+](C)C3)c1=O ZINC000199976038 562873229 /nfs/dbraw/zinc/87/32/29/562873229.db2.gz VZDDUZAFBGBYFG-UHFFFAOYSA-N 1 0 559.696 3.845 1 0 KHAFRO C[N@@H+]1CCn2nc(Nc3cc(-c4cccc(N5Cc6cc(C(C)(C)C)sc6C5=O)c4CO)n[nH]c3=O)cc2C1 ZINC000199977402 562873212 /nfs/dbraw/zinc/87/32/12/562873212.db2.gz PBIGUDXXZKZSMW-UHFFFAOYSA-N 1 0 545.669 3.834 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCC2)CC3)c1 ZINC000199979802 562873232 /nfs/dbraw/zinc/87/32/32/562873232.db2.gz TVCGFOYJEAYIGK-LOSJGSFVSA-N 1 0 515.079 3.778 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCC2)CC3)c1 ZINC000199979833 562873215 /nfs/dbraw/zinc/87/32/15/562873215.db2.gz TVCGFOYJEAYIGK-JWQCQUIFSA-N 1 0 515.079 3.778 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCC2)CC3)c1 ZINC000199979860 562873245 /nfs/dbraw/zinc/87/32/45/562873245.db2.gz TVCGFOYJEAYIGK-DQEYMECFSA-N 1 0 515.079 3.778 1 0 KHAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCC2)CC3)c1 ZINC000199979891 562873237 /nfs/dbraw/zinc/87/32/37/562873237.db2.gz TVCGFOYJEAYIGK-RPBOFIJWSA-N 1 0 515.079 3.778 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)Nc2cccc(OC)c2)C(C)C)ccc1OC ZINC000200711334 562873404 /nfs/dbraw/zinc/87/34/04/562873404.db2.gz DTTGWYKEEOKCGM-HFZDXXHNSA-N 1 0 529.634 3.806 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NC(=O)OC2CCCCC2)C(C)C)ccc1OC ZINC000200714862 562873375 /nfs/dbraw/zinc/87/33/75/562873375.db2.gz FXZCUBHCWGAJRU-JTHBVZDNSA-N 1 0 505.656 3.608 1 0 KHAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NCCO)c2)CC1 ZINC000200763760 562873454 /nfs/dbraw/zinc/87/34/54/562873454.db2.gz RZSXKXZMLBUVEC-UHFFFAOYSA-N 1 0 520.584 3.840 1 0 KHAFRO COCC[N@H+](C)Cc1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000200836249 562873447 /nfs/dbraw/zinc/87/34/47/562873447.db2.gz UYAYIVOZPIHPHB-JPYJTQIMSA-N 1 0 577.032 3.700 1 0 KHAFRO C[NH+](C)CCOc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000200869889 562873435 /nfs/dbraw/zinc/87/34/35/562873435.db2.gz ZGYUSDJGBRVTTP-AVIJNYRZSA-N 1 0 557.026 3.612 1 0 KHAFRO C[NH+]1CCN(Cc2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1 ZINC000201634070 562873570 /nfs/dbraw/zinc/87/35/70/562873570.db2.gz ACIBTFUWZHGTPF-UHFFFAOYSA-N 1 0 512.580 3.799 1 0 KHAFRO CC(C)[C@H]([NH3+])C(=O)OC1CCN(c2ccc(-n3cnn4cc(-c5ccc(Cl)cc5)cc4c3=O)cn2)CC1 ZINC000201943067 562873564 /nfs/dbraw/zinc/87/35/64/562873564.db2.gz AMFOASBZISDZRY-VWLOTQADSA-N 1 0 521.021 3.696 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000202733055 562873846 /nfs/dbraw/zinc/87/38/46/562873846.db2.gz MEKNQHMQVCQDEW-RRPNLBNLSA-N 1 0 508.688 3.857 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000202733074 562873849 /nfs/dbraw/zinc/87/38/49/562873849.db2.gz MEKNQHMQVCQDEW-KAYWLYCHSA-N 1 0 508.688 3.857 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000202735783 562873899 /nfs/dbraw/zinc/87/38/99/562873899.db2.gz CEBDOJVLHITAQE-VSGBNLITSA-N 1 0 508.688 3.857 1 0 KHAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(F)(F)F)n1 ZINC000203547926 562873980 /nfs/dbraw/zinc/87/39/80/562873980.db2.gz MGDSRFOVDPARJD-UHFFFAOYSA-N 1 0 503.573 3.773 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cc([C@H](C)N4CC[NH+](CC(C)(C)O)CC4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204417321 562874432 /nfs/dbraw/zinc/87/44/32/562874432.db2.gz NMBWCSIBYDSOKN-SFHVURJKSA-N 1 0 511.646 3.679 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cc([C@@H](C)N4CC[NH+](C(C)(C)CO)CC4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204425440 562874436 /nfs/dbraw/zinc/87/44/36/562874436.db2.gz UFRHIJJXRXJNCI-GOSISDBHSA-N 1 0 511.646 3.679 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cc([C@H](C)N4CC[NH+](C(C)(C)CO)CC4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204428767 562874496 /nfs/dbraw/zinc/87/44/96/562874496.db2.gz UFRHIJJXRXJNCI-SFHVURJKSA-N 1 0 511.646 3.679 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cc([C@@H](C)N4CC[NH+](CC(C)(C)O)CC4)c(C)cc2OCC3)n(C(C)C)n1 ZINC000204488685 562874574 /nfs/dbraw/zinc/87/45/74/562874574.db2.gz GBRXIJVOOHZAOC-HXUWFJFHSA-N 1 0 507.683 3.848 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cc([C@H](C)N4CC[NH+](CC(C)(C)O)CC4)c(C)cc2OCC3)n(C(C)C)n1 ZINC000204488698 562874576 /nfs/dbraw/zinc/87/45/76/562874576.db2.gz GBRXIJVOOHZAOC-FQEVSTJZSA-N 1 0 507.683 3.848 1 0 KHAFRO O=C(CNc1cc[nH+]c2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3nccs3)CC2)C1 ZINC000204647596 562874596 /nfs/dbraw/zinc/87/45/96/562874596.db2.gz WKYQBMJQWWZXTR-UHFFFAOYSA-N 1 0 505.566 3.753 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cc([C@@H](C)N4CC[NH+](CC(C)(C)O)CC4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204685960 562874560 /nfs/dbraw/zinc/87/45/60/562874560.db2.gz NMBWCSIBYDSOKN-GOSISDBHSA-N 1 0 511.646 3.679 1 0 KHAFRO C[NH+](C)C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000205039376 562874842 /nfs/dbraw/zinc/87/48/42/562874842.db2.gz BHCXALOEZOONGU-CPJSRVTESA-N 1 0 532.979 3.553 1 0 KHAFRO NC(=O)n1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NCc2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000205047690 562874875 /nfs/dbraw/zinc/87/48/75/562874875.db2.gz COLQCZZXFFNTFG-DFBJGRDBSA-N 1 0 512.570 3.610 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@@H]4[C@@H]4CCCC[N@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000205114479 562874989 /nfs/dbraw/zinc/87/49/89/562874989.db2.gz BTRBVLVZBYMHDD-VQTJNVASSA-N 1 0 516.572 3.920 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c(C(N)=O)nc2CC)c1 ZINC000205338737 562875133 /nfs/dbraw/zinc/87/51/33/562875133.db2.gz LVQGVZUDZSVRBM-UHFFFAOYSA-N 1 0 501.591 3.550 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c(C(N)=O)nc2CC)c1C ZINC000205338756 562875153 /nfs/dbraw/zinc/87/51/53/562875153.db2.gz AEBNZKWTLCUZBW-UHFFFAOYSA-N 1 0 515.618 3.859 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)c(N4CC[NH+](C)CC4)c3)c(C(N)=O)nc2CC)c1 ZINC000205341927 562875130 /nfs/dbraw/zinc/87/51/30/562875130.db2.gz DLYLXKIKTZVXLV-UHFFFAOYSA-N 1 0 531.617 3.559 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](CC)CC4)cc3)c(C(N)=O)nc2CC)c1 ZINC000205341944 562875112 /nfs/dbraw/zinc/87/51/12/562875112.db2.gz BLVSTWDZDHSEQQ-UHFFFAOYSA-N 1 0 515.618 3.940 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(C4CC[NH+](C)CC4)c3)c(C(N)=O)nc2C(C)C)c1 ZINC000205347245 562875165 /nfs/dbraw/zinc/87/51/65/562875165.db2.gz GWYBVGHLDQLEPN-UHFFFAOYSA-N 1 0 504.595 3.823 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[N@H+](C)[C@@H](C)C4)cc3)c(C(N)=O)nc2CC)c1 ZINC000205347266 562875181 /nfs/dbraw/zinc/87/51/81/562875181.db2.gz VIKYVWOFKQNEHB-SFHVURJKSA-N 1 0 515.618 3.939 1 0 KHAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[N@H+](C)[C@H](C)C4)cc3)c(C(N)=O)nc2CC)c1 ZINC000205347284 562875189 /nfs/dbraw/zinc/87/51/89/562875189.db2.gz VIKYVWOFKQNEHB-GOSISDBHSA-N 1 0 515.618 3.939 1 0 KHAFRO C=CC(=O)Nc1ccc(F)c(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c(C(N)=O)nc2CC)c1 ZINC000205351381 562875205 /nfs/dbraw/zinc/87/52/05/562875205.db2.gz GNMULHTXVBBKDA-UHFFFAOYSA-N 1 0 519.581 3.689 1 0 KHAFRO CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000205364724 562875220 /nfs/dbraw/zinc/87/52/20/562875220.db2.gz VAPBGCRAUJRZPO-UHFFFAOYSA-N 1 0 518.001 3.830 1 0 KHAFRO C=CC(=O)Nc1cccc(-n2c3nccn3c(=O)c3cnc(Nc4ccc(N5CCC([NH+](C)C)CC5)cc4OC)nc32)c1 ZINC000205413873 562875308 /nfs/dbraw/zinc/87/53/08/562875308.db2.gz NKHMICLDWIUZLX-UHFFFAOYSA-N 1 0 579.665 3.836 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCC[N@H+](C)C5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000205541973 562875564 /nfs/dbraw/zinc/87/55/64/562875564.db2.gz NTRHKDRQXZZCSB-HHHXNRCGSA-N 1 0 518.622 3.808 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@]5(CCC[N@H+](C)C5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000205541986 562875552 /nfs/dbraw/zinc/87/55/52/562875552.db2.gz NTRHKDRQXZZCSB-MHZLTWQESA-N 1 0 518.622 3.808 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5C[NH2+]C[C@@H]5CC4=O)cn3)nc2n1C1CCCCCC1 ZINC000205543327 562875563 /nfs/dbraw/zinc/87/55/63/562875563.db2.gz BXALLQBVYDONPU-AZUAARDMSA-N 1 0 516.650 3.739 1 0 KHAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5C[NH2+]C[C@H]5CC4=O)cn3)nc2n1C1CCCCCC1 ZINC000205543338 562875562 /nfs/dbraw/zinc/87/55/62/562875562.db2.gz BXALLQBVYDONPU-QUCCMNQESA-N 1 0 516.650 3.739 1 0 KHAFRO CCN(c1cc(-c2ccc(C[NH+](CCO)CCO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205713541 562875752 /nfs/dbraw/zinc/87/57/52/562875752.db2.gz GIGCSOAKXDKLQV-UHFFFAOYSA-N 1 0 590.765 3.689 1 0 KHAFRO CCN(c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205718070 562875764 /nfs/dbraw/zinc/87/57/64/562875764.db2.gz FTUGIYDOSRLWHX-UHFFFAOYSA-N 1 0 558.727 3.707 1 0 KHAFRO COc1ccc2ncc(F)c(CCC34CCC([N@H+](C)Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000206093297 562876199 /nfs/dbraw/zinc/87/61/99/562876199.db2.gz OMACOKVQYCDGSH-UHFFFAOYSA-N 1 0 507.566 3.650 1 0 KHAFRO COC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC([NH2+]Cc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1 ZINC000206097445 562876244 /nfs/dbraw/zinc/87/62/44/562876244.db2.gz SDQZRJQWIQHIKN-UHFFFAOYSA-N 1 0 591.640 3.631 1 0 KHAFRO CC(C)(O)CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000206106027 562876246 /nfs/dbraw/zinc/87/62/46/562876246.db2.gz GBOBHDKFANTRAN-UHFFFAOYSA-N 1 0 565.646 3.839 1 0 KHAFRO CCCC(=O)c1cnn(C2CCN(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C ZINC000209145230 562876826 /nfs/dbraw/zinc/87/68/26/562876826.db2.gz CYMPIFSEGHZYOW-UHFFFAOYSA-N 1 0 568.122 3.538 1 0 KHAFRO COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCCN1CC[NH+](C)CC1)c2=O ZINC000209543050 562876904 /nfs/dbraw/zinc/87/69/04/562876904.db2.gz QTLUKERMKMROBB-UHFFFAOYSA-N 1 0 542.629 3.909 1 0 KHAFRO CC1CCC(Cn2c(N3CCO[C@@H]4C[NH2+]CC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642454 562876897 /nfs/dbraw/zinc/87/68/97/562876897.db2.gz ZUQDCSQDHXMAEE-OGRPUPFISA-N 1 0 565.078 3.883 1 0 KHAFRO COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCC[NH+]1CCN(C)CC1)c2=O 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/nfs/dbraw/zinc/87/88/62/562878862.db2.gz JXUHVPCPUYSSKN-UHFFFAOYSA-N 1 0 555.639 3.726 1 0 KHAFRO Cc1ccc(OCC(F)(F)F)c(OCC[NH2+][C@H](C)Cc2cc3ccn(CCCO)c3c(C(N)=O)c2)c1 ZINC000221898873 562879341 /nfs/dbraw/zinc/87/93/41/562879341.db2.gz KYFDMTNYQFXNHE-GOSISDBHSA-N 1 0 507.553 3.972 1 0 KHAFRO Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)N5CC[NH+](C6CCOCC6)CC5)[nH]c4c(Cl)c3)n2)c1 ZINC000222323338 562879787 /nfs/dbraw/zinc/87/97/87/562879787.db2.gz JFYNHCFWHNQFAO-UHFFFAOYSA-N 1 0 521.025 3.692 1 0 KHAFRO Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)NCCCCC[NH+]5CCOCC5)[nH]c4c(Cl)c3)n2)c1 ZINC000222323683 562879770 /nfs/dbraw/zinc/87/97/70/562879770.db2.gz BUKMCDOEKXBTCD-UHFFFAOYSA-N 1 0 523.041 3.988 1 0 KHAFRO Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)N5CCC([NH+]6CCOCC6)CC5)[nH]c4c(Cl)c3)n2)c1 ZINC000222323957 562879763 /nfs/dbraw/zinc/87/97/63/562879763.db2.gz IGGXLHHYFYSVNZ-UHFFFAOYSA-N 1 0 521.025 3.692 1 0 KHAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000223009214 562880035 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Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c([C@]2(CF)NC(=N)O[C@H]3C[C@H]32)c1 ZINC000226074380 562880897 /nfs/dbraw/zinc/88/08/97/562880897.db2.gz UZKQOQQRJKLGGG-KPGGICDASA-N 1 0 505.831 3.669 1 0 KHAFRO Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c([C@@]2(CF)NC(=N)O[C@@H]3C[C@@H]32)c1 ZINC000226076395 562880901 /nfs/dbraw/zinc/88/09/01/562880901.db2.gz UZKQOQQRJKLGGG-VARDARPISA-N 1 0 505.831 3.669 1 0 KHAFRO C[C@H](Cc1ccc2c(c1)O[C@](C(=O)OC[C@H]1CCCO1)(C(=O)OC[C@@H]1CCCO1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000253632988 562882026 /nfs/dbraw/zinc/88/20/26/562882026.db2.gz FPSHVGKMJDSSCL-OBFQIMQYSA-N 1 0 590.069 3.506 1 0 KHAFRO C[NH+]1CCN(CCCN2N=C3/C(=C/c4ccc([S@](C)=O)cc4)CSC[C@@H]3[C@H]2c2ccc([S@@](C)=O)cc2)CC1 ZINC000253636014 562882288 /nfs/dbraw/zinc/88/22/88/562882288.db2.gz VQRAMUPQOFYBNQ-RHRXOEDVSA-N 1 0 570.850 3.958 1 0 KHAFRO C[NH+]1CCN(CCCN2N=C3/C(=C/c4ccc([S@](C)=O)cc4)CSC[C@@H]3[C@H]2c2ccc([S@](C)=O)cc2)CC1 ZINC000253636019 562882293 /nfs/dbraw/zinc/88/22/93/562882293.db2.gz 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COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1Cc1c[nH]c2ccccc12 ZINC000299826160 562883785 /nfs/dbraw/zinc/88/37/85/562883785.db2.gz FNRWBCFHAFTTQU-WJYFWIIUSA-N 1 0 692.902 3.687 1 0 KHAFRO C[C@H](O)CNc1nccc(-n2ccnc2C(=O)c2ccc(NC(=O)c3cc(N4CC[NH+](C)CC4)cc(C(F)(F)F)c3)cc2)n1 ZINC000299826314 562883821 /nfs/dbraw/zinc/88/38/21/562883821.db2.gz YYEGTGHATIRVIW-IBGZPJMESA-N 1 0 608.625 3.709 1 0 KHAFRO Cn1ccc2cc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)cc21 ZINC000299826559 562883886 /nfs/dbraw/zinc/88/38/86/562883886.db2.gz GYIZXHDZGGPKCM-UHFFFAOYSA-N 1 0 589.143 3.815 1 0 KHAFRO COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=[NH2+])NC(=O)Cc2ccc(OC)c(OC)c2)cc1F ZINC000299827664 562884181 /nfs/dbraw/zinc/88/41/81/562884181.db2.gz GWVGAFINOCHOOI-JOCHJYFZSA-N 1 0 528.625 3.690 1 0 KHAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2)[C@H]2CCC[C@@H]([N@@H+]3CC[C@H](O)C3)[C@H]21 ZINC000299827671 562884166 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O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1cc2ccccc2s1 ZINC000299829694 562884975 /nfs/dbraw/zinc/88/49/75/562884975.db2.gz RMBOAPKGNMIISA-CBSYONAGSA-N 1 0 502.636 3.970 1 0 KHAFRO COc1ccc(CC(=O)NC(=[NH2+])N[C@H](CC2CCCCC2)C(=O)NCc2ccc(F)c(F)c2)cc1OC ZINC000299830047 562885073 /nfs/dbraw/zinc/88/50/73/562885073.db2.gz NRKQPMZKNGHQHZ-JOCHJYFZSA-N 1 0 516.589 3.820 1 0 KHAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1cc2cc(Cl)ccc2[nH]1 ZINC000299830449 562885262 /nfs/dbraw/zinc/88/52/62/562885262.db2.gz VLUHOAIBIHPGER-XSGLBDKUSA-N 1 0 520.029 3.890 1 0 KHAFRO O=C(Nc1ccc(Oc2nc3c([nH]c(=O)n3CCN3CC[NH2+]CC3)c3ncccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O ZINC000299830854 562885365 /nfs/dbraw/zinc/88/53/65/562885365.db2.gz YKLMCGKMWNBRBT-UHFFFAOYSA-N 1 0 638.635 3.652 1 0 KHAFRO CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)NCCOCC[NH3+])Cc3ccc(Oc4ccccc4)cc3)ccc2O1 ZINC000299830966 562885415 /nfs/dbraw/zinc/88/54/15/562885415.db2.gz ZZWCULSLNIIIDP-UHFFFAOYSA-N 1 0 567.708 3.865 1 0 KHAFRO Cn1ccnc1-c1ccc(C[C@@H](NC(=O)c2ccccc2OCc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000299831117 562885464 /nfs/dbraw/zinc/88/54/64/562885464.db2.gz IWAIXWWOFXRIMW-HHHXNRCGSA-N 1 0 525.653 3.685 1 0 KHAFRO Cn1ccnc1-c1ccc(C[C@H](NC(=O)c2ccccc2OCc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000299831121 562885471 /nfs/dbraw/zinc/88/54/71/562885471.db2.gz IWAIXWWOFXRIMW-MHZLTWQESA-N 1 0 525.653 3.685 1 0 KHAFRO CC(C)c1oc(=O)oc1COC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCc4oc(=O)oc4C(C)C)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000299831370 562885599 /nfs/dbraw/zinc/88/55/99/562885599.db2.gz DQOOOLJWCCMFBV-HVUWRAEQSA-N 1 0 755.799 3.598 1 0 KHAFRO C[C@@H](C[NH+](C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ncccc2C1=O ZINC000299831445 562885555 /nfs/dbraw/zinc/88/55/55/562885555.db2.gz DTLOKQRQTQFJEL-GGLGADRISA-N 1 0 578.751 3.906 1 0 KHAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@H](C)OC(=O)C(C)(C)C)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)O[C@H](C)OC(=O)C(C)(C)C)c4)C3)[C@H](C)[C@H]12 ZINC000299831648 562885678 /nfs/dbraw/zinc/88/56/78/562885678.db2.gz FGGCMTFBZXEYSB-CQASVOJLSA-N 1 0 731.865 3.729 1 0 KHAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@@H](C)OC(=O)C(C)(C)C)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)O[C@@H](C)OC(=O)C(C)(C)C)c4)C3)[C@H](C)[C@H]12 ZINC000299831652 562885670 /nfs/dbraw/zinc/88/56/70/562885670.db2.gz FGGCMTFBZXEYSB-NPNWNZIQSA-N 1 0 731.865 3.729 1 0 KHAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@@H](C)OC(=O)C(C)(C)C)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)O[C@H](C)OC(=O)C(C)(C)C)c4)C3)[C@H](C)[C@H]12 ZINC000299831655 562885673 /nfs/dbraw/zinc/88/56/73/562885673.db2.gz FGGCMTFBZXEYSB-PJIOFBRASA-N 1 0 731.865 3.729 1 0 KHAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@H](C)OC(=O)C(C)(C)C)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)O[C@@H](C)OC(=O)C(C)(C)C)c4)C3)[C@H](C)[C@H]12 ZINC000299831659 562885645 /nfs/dbraw/zinc/88/56/45/562885645.db2.gz FGGCMTFBZXEYSB-QXNCGGPLSA-N 1 0 731.865 3.729 1 0 KHAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3C[NH2+]C3)c2)ncc1Cl ZINC000299831922 562885745 /nfs/dbraw/zinc/88/57/45/562885745.db2.gz JHGVPFVBTWQAIJ-UHFFFAOYSA-N 1 0 501.012 3.957 1 0 KHAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000299832233 562885815 /nfs/dbraw/zinc/88/58/15/562885815.db2.gz SRWIVNUJFOQFHI-UHFFFAOYSA-N 1 0 640.634 3.687 1 0 KHAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)[N@H+](C)CCN(C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C1=S ZINC000299832624 562885855 /nfs/dbraw/zinc/88/58/55/562885855.db2.gz QEFCVWSEUQCQRR-DTXPUJKBSA-N 1 0 610.938 3.915 1 0 KHAFRO COC(=O)N1CCN(N(C)C(=O)CN(CC(=O)NCC[NH+]2CCCC2)c2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 ZINC000299833759 562886273 /nfs/dbraw/zinc/88/62/73/562886273.db2.gz WHLHQSDXDDEDSP-UHFFFAOYSA-N 1 0 621.566 3.562 1 0 KHAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3oc(=O)oc3C(C)(C)C)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)OCc5oc(=O)oc5C(C)(C)C)c4)C3)[C@H](C)[C@H]12 ZINC000299834422 562886461 /nfs/dbraw/zinc/88/64/61/562886461.db2.gz JAWWNCHJVFRJBE-HVUWRAEQSA-N 1 0 783.853 3.946 1 0 KHAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(C[NH+](C)C)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000299834632 562886508 /nfs/dbraw/zinc/88/65/08/562886508.db2.gz UXRZROIJQUSOMU-ULBKPHCJSA-N 1 0 536.581 3.558 1 0 KHAFRO O=C(CN1CCN(c2ccccc2)CC1)N1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000299837333 562887452 /nfs/dbraw/zinc/88/74/52/562887452.db2.gz QFAKGPCIDSXYBR-UHFFFAOYSA-N 1 0 519.653 3.676 1 0 KHAFRO CCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCC[NH+]2CCN(C)CC2)cc1Cl ZINC000299838319 562887755 /nfs/dbraw/zinc/88/77/55/562887755.db2.gz QCMWJZZSCGOICB-UHFFFAOYSA-N 1 0 502.512 3.739 1 0 KHAFRO OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@@H+]1CCCCCOCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000299838426 562887823 /nfs/dbraw/zinc/88/78/23/562887823.db2.gz QNRQAUQEJQHXSC-UEQSERJNSA-N 1 0 551.524 3.837 1 0 KHAFRO CCC(CC)C(=O)OCOC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCOC(=O)C(CC)CC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000299839265 562888114 /nfs/dbraw/zinc/88/81/14/562888114.db2.gz XJZSBTQCXKWWDH-CCCPLFPKSA-N 1 0 731.865 3.732 1 0 KHAFRO O=C1CCC2=C([C@@H]3Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]53[C@@]4(O)C2)N1Cc1cccc(F)c1 ZINC000299840050 562888397 /nfs/dbraw/zinc/88/83/97/562888397.db2.gz VETVECCUOSDWHF-UJLGHMMASA-N 1 0 502.586 3.782 1 0 KHAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299840100 562888414 /nfs/dbraw/zinc/88/84/14/562888414.db2.gz UKYBEEZQFSEMPW-LPJWUPNOSA-N 1 0 550.458 3.640 1 0 KHAFRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000299840135 562888468 /nfs/dbraw/zinc/88/84/68/562888468.db2.gz UPYWNAQJAZBAGX-UJAPCULTSA-N 1 0 523.621 3.810 1 0 KHAFRO NC(=O)Nc1ccc2[nH]c(=O)c(Nc3cc(CC(=O)NCC[NH+]4CCCCC4)cc(NC(=O)N4CCCC4)c3)cc2c1 ZINC000299840189 562888455 /nfs/dbraw/zinc/88/84/55/562888455.db2.gz VRPJCLAEEBSNJB-UHFFFAOYSA-N 1 0 574.686 3.947 1 0 KHAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)ncc1Cl ZINC000299840637 562888637 /nfs/dbraw/zinc/88/86/37/562888637.db2.gz VUPKYIDSZYTBHB-UHFFFAOYSA-N 1 0 544.081 3.643 1 0 KHAFRO C[C@H](O)CNc1nccc(-n2ccnc2C(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1 ZINC000299840699 562888617 /nfs/dbraw/zinc/88/86/17/562888617.db2.gz YTYHTQDTPUVVFQ-HNNXBMFYSA-N 1 0 510.476 3.957 1 0 KHAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)c2)ncc1Cl ZINC000299840942 562888710 /nfs/dbraw/zinc/88/87/10/562888710.db2.gz WYRLDZNQPSAQEB-KDURUIRLSA-N 1 0 570.119 3.889 1 0 KHAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)c2)ncc1Cl ZINC000299840943 562888690 /nfs/dbraw/zinc/88/86/90/562888690.db2.gz WYRLDZNQPSAQEB-OALUTQOASA-N 1 0 570.119 3.889 1 0 KHAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)c2)ncc1Cl ZINC000299840944 562888698 /nfs/dbraw/zinc/88/86/98/562888698.db2.gz WYRLDZNQPSAQEB-RTBURBONSA-N 1 0 570.119 3.889 1 0 KHAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc(-c4cccs4)on3)(CC1)CO2 ZINC000299852276 562890894 /nfs/dbraw/zinc/89/08/94/562890894.db2.gz PSIHAZTYJRELBU-WNMGUVTHSA-N 1 0 508.575 3.715 1 0 KHAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc4c(F)ccc(F)c4[nH]c3=O)(CC1)CO2 ZINC000299852287 562890896 /nfs/dbraw/zinc/89/08/96/562890896.db2.gz PVUVONWBTUDYHP-LADMEODRSA-N 1 0 538.526 3.531 1 0 KHAFRO Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H]([NH3+])C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 ZINC000299853368 562891132 /nfs/dbraw/zinc/89/11/32/562891132.db2.gz JIMDMLRNGLJHSN-LJQANCHMSA-N 1 0 578.025 3.729 1 0 KHAFRO CC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)(C)O)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000299853692 562891193 /nfs/dbraw/zinc/89/11/93/562891193.db2.gz OMGKCSSVWSHTFS-VNNZRSTGSA-N 1 0 595.810 3.585 1 0 KHAFRO Cc1oc(=O)oc1COC(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3Cl)c1c(=O)n2C ZINC000299854031 562891262 /nfs/dbraw/zinc/89/12/62/562891262.db2.gz TWTCIDZQLCIDPO-LJQANCHMSA-N 1 0 578.025 3.729 1 0 KHAFRO C[C@@H]1CN(CCOC(=O)c2ccc3c(c2)c2nc(N4CCC[C@@H]([NH3+])C4)n(Cc4ccccc4Cl)c2c(=O)n3C)C[C@H](C)O1 ZINC000299854365 562891341 /nfs/dbraw/zinc/89/13/41/562891341.db2.gz XGPLUBBJJJWOEM-ZFGGDYGUSA-N 1 0 607.155 3.783 1 0 KHAFRO Cc1oc(=O)oc1COC(=O)c1ccc2c(c1)c1nc(N3CCC[C@@H]([NH3+])C3)n(Cc3cc(F)ccc3Cl)c1c(=O)n2C ZINC000299854497 562891362 /nfs/dbraw/zinc/89/13/62/562891362.db2.gz ZSOPPTPUCVNPFK-LJQANCHMSA-N 1 0 596.015 3.868 1 0 KHAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)N(C)Cc2cccc3c2OCO3)C(C)C)ccc1OC ZINC000299854669 562891420 /nfs/dbraw/zinc/89/14/20/562891420.db2.gz AFYPLINLBJMZDZ-WNCULLNHSA-N 1 0 571.671 3.546 1 0 KHAFRO COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)c(N)c1 ZINC000299854758 562891470 /nfs/dbraw/zinc/89/14/70/562891470.db2.gz AMTOLSBBIWXARE-JDXGNMNLSA-N 1 0 582.657 3.576 1 0 KHAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCN3CC[NH2+]CC3)O5)ccc2OC)c1 ZINC000299855015 562891572 /nfs/dbraw/zinc/89/15/72/562891572.db2.gz AVDOEYKWPZNQKY-HHHXNRCGSA-N 1 0 584.629 3.724 1 0 KHAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCN3CC[NH2+]CC3)O5)ccc2OC)c1 ZINC000299855017 562891569 /nfs/dbraw/zinc/89/15/69/562891569.db2.gz AVDOEYKWPZNQKY-MHZLTWQESA-N 1 0 584.629 3.724 1 0 KHAFRO COc1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1Cl ZINC000299855579 562891702 /nfs/dbraw/zinc/89/17/02/562891702.db2.gz BMSCZCBEBYCRCA-UHFFFAOYSA-N 1 0 509.994 3.822 1 0 KHAFRO CCC[N@H+](CCCCCCNc1nc2nc(-c3ccco3)nn2c(N)n1)CCc1cccc2c1CC(=O)N2 ZINC000299855953 562891784 /nfs/dbraw/zinc/89/17/84/562891784.db2.gz BICAEYYDSQRCOQ-UHFFFAOYSA-N 1 0 517.638 3.783 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)NCc3ccc(Br)cc3)CC2)c1 ZINC000299855976 562891794 /nfs/dbraw/zinc/89/17/94/562891794.db2.gz BJXGLJBDCNUTAI-LJAQVGFWSA-N 1 0 677.625 3.830 1 0 KHAFRO COc1ccc(OCC(=O)N2CCC3(C[NH+]([C@@H]4CCc5cc(-c6cc(C)ncn6)ccc54)C3)CC2)c(C(N)=O)c1 ZINC000299855985 562891843 /nfs/dbraw/zinc/89/18/43/562891843.db2.gz BKLUBJRZSCAMKB-HHHXNRCGSA-N 1 0 541.652 3.550 1 0 KHAFRO CN1CC[NH+](CCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1 ZINC000299857179 562892124 /nfs/dbraw/zinc/89/21/24/562892124.db2.gz DUBMUGYFNOQVHS-UHFFFAOYSA-N 1 0 518.593 3.561 1 0 KHAFRO O=c1sc2cc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)ccc2n1CC[NH+]1CCCC1 ZINC000299859551 562892777 /nfs/dbraw/zinc/89/27/77/562892777.db2.gz FWXHRLPZDKIJAR-UHFFFAOYSA-N 1 0 543.692 3.743 1 0 KHAFRO C[NH+]1CCN(c2ccc(-c3n[nH]c4ccc(C(=O)NCC5(N6CCOCC6)CCCCC5)cc43)cc2)CC1 ZINC000299861451 562893307 /nfs/dbraw/zinc/89/33/07/562893307.db2.gz LKZXAQZZOSZHLE-UHFFFAOYSA-N 1 0 516.690 3.747 1 0 KHAFRO C[NH+]1CCN(CCCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1 ZINC000299862232 562893551 /nfs/dbraw/zinc/89/35/51/562893551.db2.gz MRINBWRXPPYLKC-UHFFFAOYSA-N 1 0 553.642 3.848 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 ZINC000299863620 562893863 /nfs/dbraw/zinc/89/38/63/562893863.db2.gz LGLIWAMCEKIVPO-DOKCYZQASA-N 1 0 714.867 3.817 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 ZINC000299863621 562893885 /nfs/dbraw/zinc/89/38/85/562893885.db2.gz LGLIWAMCEKIVPO-ZWSJPFHPSA-N 1 0 714.867 3.817 1 0 KHAFRO CN1CC[NH+](CCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1 ZINC000299864681 562894174 /nfs/dbraw/zinc/89/41/74/562894174.db2.gz RUWCSNLMVYBEGQ-UHFFFAOYSA-N 1 0 532.620 3.951 1 0 KHAFRO Cn1c2nc3n(cc(-c4ccccc4)n3CCCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000299865049 562894336 /nfs/dbraw/zinc/89/43/36/562894336.db2.gz SMRDWSOUDWTDBN-UHFFFAOYSA-N 1 0 546.075 3.609 1 0 KHAFRO CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCc2ccccc2)c(N)c1)C(=O)OCc1ccccc1 ZINC000299865509 562894417 /nfs/dbraw/zinc/89/44/17/562894417.db2.gz UCUJMXWHUSZEFR-OZXSUGGESA-N 1 0 502.615 3.665 1 0 KHAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000299865599 562894469 /nfs/dbraw/zinc/89/44/69/562894469.db2.gz NYBRMXDKXYPGRK-DSPMFFIESA-N 1 0 835.847 3.968 1 0 KHAFRO Cn1c2nc3n(cc(-c4ccccc4)n3CCCCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000299866039 562894603 /nfs/dbraw/zinc/89/46/03/562894603.db2.gz VBTKDYSXDUNEIG-UHFFFAOYSA-N 1 0 560.102 3.999 1 0 KHAFRO Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000299866646 562894705 /nfs/dbraw/zinc/89/47/05/562894705.db2.gz PHBOBAXNGQOLGV-SANMLTNESA-N 1 0 504.656 3.575 1 0 KHAFRO COc1cc2c(cc1OC)C[N@H+](CCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299867050 562894771 /nfs/dbraw/zinc/89/47/71/562894771.db2.gz PSLDQXGRCCSOAZ-UHFFFAOYSA-N 1 0 531.657 3.922 1 0 KHAFRO C[NH+]1CCN(Cc2cccn2-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CC1 ZINC000299867857 562894955 /nfs/dbraw/zinc/89/49/55/562894955.db2.gz YXPSTFLJPSYOCR-NRFANRHFSA-N 1 0 514.051 3.695 1 0 KHAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)c1 ZINC000299869321 562895306 /nfs/dbraw/zinc/89/53/06/562895306.db2.gz UKDJOYOHJVUIJF-DGPALRBDSA-N 1 0 613.740 3.931 1 0 KHAFRO CS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5C[NH2+]CCC56CC6)n4)c3c2)c(F)c1 ZINC000299869561 562895355 /nfs/dbraw/zinc/89/53/55/562895355.db2.gz UZKVHHUKSZZZFF-QFIPXVFZSA-N 1 0 508.579 3.718 1 0 KHAFRO CC(=O)O[C@H](C)ON[N+](=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000377816808 562896072 /nfs/dbraw/zinc/89/60/72/562896072.db2.gz SPQMRRJTFZIHAL-AWEZNQCLSA-N 1 0 513.474 3.717 1 0 KHAFRO CC(=O)O[C@@H](C)ON[N+](=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000377816830 562896083 /nfs/dbraw/zinc/89/60/83/562896083.db2.gz SPQMRRJTFZIHAL-CQSZACIVSA-N 1 0 513.474 3.717 1 0 KHAFRO COc1ccc2c(c1)c(CC(=O)OC[C@@H]1CCCN1[N+](O)=NOCOC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000377829919 562896217 /nfs/dbraw/zinc/89/62/17/562896217.db2.gz XIEJYODNXLRMOK-NRFANRHFSA-N 1 0 574.010 3.501 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nnc2cc(Nc3c(C)n(O)c4ccc(Cl)cc4[n+]3=O)ccc21 ZINC000377840129 562896242 /nfs/dbraw/zinc/89/62/42/562896242.db2.gz WBGZRYBPSQXXKH-FQEVSTJZSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nnc2cc(Nc3c(C)n(O)c4ccc(Cl)cc4[n+]3=O)ccc21 ZINC000377840130 562896265 /nfs/dbraw/zinc/89/62/65/562896265.db2.gz WBGZRYBPSQXXKH-HXUWFJFHSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nc2ccc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)cc2n1 ZINC000377840567 562896247 /nfs/dbraw/zinc/89/62/47/562896247.db2.gz OMBLCBFARCALIA-FQEVSTJZSA-N 1 0 557.559 3.575 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nc2ccc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)cc2n1 ZINC000377840568 562896243 /nfs/dbraw/zinc/89/62/43/562896243.db2.gz OMBLCBFARCALIA-HXUWFJFHSA-N 1 0 557.559 3.575 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nnc2cc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)ccc21 ZINC000377840672 562896248 /nfs/dbraw/zinc/89/62/48/562896248.db2.gz OFLLRHBAKOMJAM-FQEVSTJZSA-N 1 0 557.559 3.575 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nnc2cc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)ccc21 ZINC000377840673 562896254 /nfs/dbraw/zinc/89/62/54/562896254.db2.gz OFLLRHBAKOMJAM-HXUWFJFHSA-N 1 0 557.559 3.575 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nnc2ccc(Nc3c(C)n(O)c4cc(Cl)ccc4[n+]3=O)cc21 ZINC000377840982 562896251 /nfs/dbraw/zinc/89/62/51/562896251.db2.gz KNWYAVIOAMBEDR-IBGZPJMESA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nnc2ccc(Nc3c(C)n(O)c4cc(Cl)ccc4[n+]3=O)cc21 ZINC000377840984 562896256 /nfs/dbraw/zinc/89/62/56/562896256.db2.gz KNWYAVIOAMBEDR-LJQANCHMSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nnc2ccc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)cc21 ZINC000377841265 562896267 /nfs/dbraw/zinc/89/62/67/562896267.db2.gz DZXZIZCZKFIFQX-IBGZPJMESA-N 1 0 557.559 3.575 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nnc2ccc(Nc3c(C)n(O)c4cc(F)c(OCC)cc4[n+]3=O)cc21 ZINC000377841266 562896250 /nfs/dbraw/zinc/89/62/50/562896250.db2.gz DZXZIZCZKFIFQX-LJQANCHMSA-N 1 0 557.559 3.575 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nc2ccc(Nc3c(C)n(O)c4cc(Cl)ccc4[n+]3=O)cc2n1 ZINC000377841328 562896284 /nfs/dbraw/zinc/89/62/84/562896284.db2.gz FORZKGALQYCDKP-FQEVSTJZSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nc2ccc(Nc3c(C)n(O)c4cc(Cl)ccc4[n+]3=O)cc2n1 ZINC000377841329 562896292 /nfs/dbraw/zinc/89/62/92/562896292.db2.gz FORZKGALQYCDKP-HXUWFJFHSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nnc2ccc(Nc3c(C)n(O)c4ccc(Cl)cc4[n+]3=O)cc21 ZINC000377841454 562896275 /nfs/dbraw/zinc/89/62/75/562896275.db2.gz TWPWDHWHEIACJH-IBGZPJMESA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nnc2ccc(Nc3c(C)n(O)c4ccc(Cl)cc4[n+]3=O)cc21 ZINC000377841455 562896272 /nfs/dbraw/zinc/89/62/72/562896272.db2.gz TWPWDHWHEIACJH-LJQANCHMSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nc2ccc(Nc3c(C)n(O)c4ccc(Cl)cc4[n+]3=O)cc2n1 ZINC000377842918 562896327 /nfs/dbraw/zinc/89/63/27/562896327.db2.gz YNVDPIMQOHRQSG-FQEVSTJZSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nc2ccc(Nc3c(C)n(O)c4ccc(Cl)cc4[n+]3=O)cc2n1 ZINC000377842919 562896334 /nfs/dbraw/zinc/89/63/34/562896334.db2.gz YNVDPIMQOHRQSG-HXUWFJFHSA-N 1 0 529.961 3.691 1 0 KHAFRO CCN(CC)[N+](O)=NOCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000377845427 562896320 /nfs/dbraw/zinc/89/63/20/562896320.db2.gz WBQSQTWLYUYBDF-UHFFFAOYSA-N 1 0 503.963 3.815 1 0 KHAFRO C=CC(=O)Nc1cccc(CN2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)ncc3C(C)(C)C2=O)c1 ZINC000473086700 562897099 /nfs/dbraw/zinc/89/70/99/562897099.db2.gz CJMRXDZTLVTVHM-UHFFFAOYSA-N 1 0 511.630 3.921 1 0 KHAFRO CC(C)C[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc2ccc([C@H](O)C(F)(F)F)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](C(C)C)NC1=O ZINC000473086999 562897133 /nfs/dbraw/zinc/89/71/33/562897133.db2.gz JKXVPTXZNKLJSO-MGGWPMFNSA-N 1 0 808.943 3.926 1 0 KHAFRO CC(C)C[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc2ccc([C@@H](O)C(F)(F)F)cc2)NC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@H](C(C)C)NC1=O ZINC000473087001 562897157 /nfs/dbraw/zinc/89/71/57/562897157.db2.gz JKXVPTXZNKLJSO-WPGRXHFUSA-N 1 0 808.943 3.926 1 0 KHAFRO COc1ccc(C[C@@H]2c3ccc(NCC(=O)N(C)C)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087279 562897138 /nfs/dbraw/zinc/89/71/38/562897138.db2.gz DYFHIJJRESTCTA-HHHXNRCGSA-N 1 0 530.669 3.662 1 0 KHAFRO COc1ccc(C[C@H]2c3ccc(NCC(=O)N(C)C)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087282 562897146 /nfs/dbraw/zinc/89/71/46/562897146.db2.gz DYFHIJJRESTCTA-MHZLTWQESA-N 1 0 530.669 3.662 1 0 KHAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5nc6c(c(C)c5C)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000473087313 562897183 /nfs/dbraw/zinc/89/71/83/562897183.db2.gz FBCAMKKSSNNCKU-UHFFFAOYSA-N 1 0 521.593 3.924 1 0 KHAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](NC(=O)[C@H]3CCC[NH2+]3)C(=O)[C@]12C ZINC000473087464 562897173 /nfs/dbraw/zinc/89/71/73/562897173.db2.gz KFHHCJQCHBYYOO-ZRTNZGSUSA-N 1 0 616.796 3.734 1 0 KHAFRO CC[C@@H]1C(=O)N(CC)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473087521 562897200 /nfs/dbraw/zinc/89/72/00/562897200.db2.gz KHVSTZSCKUIMFH-HSZRJFAPSA-N 1 0 535.693 3.947 1 0 KHAFRO CC[C@@H]1C(=O)N(C)c2cnc(Oc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473087935 562897239 /nfs/dbraw/zinc/89/72/39/562897239.db2.gz MLSIWMLVUIWYLH-OAQYLSRUSA-N 1 0 522.650 3.606 1 0 KHAFRO CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3F)nc2N1C1CCCC1 ZINC000473087953 562897225 /nfs/dbraw/zinc/89/72/25/562897225.db2.gz MUHYKHSHQZOTCJ-JOCHJYFZSA-N 1 0 509.630 3.687 1 0 KHAFRO C=CC(=O)Nc1cccc(CN2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)ncc3CN(C)C2=O)c1 ZINC000473088656 562897341 /nfs/dbraw/zinc/89/73/41/562897341.db2.gz JARNJGWJRMBPFT-UHFFFAOYSA-N 1 0 512.618 3.669 1 0 KHAFRO CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)c(OC)c3)nc2N1C1CCCC1 ZINC000473088985 562897338 /nfs/dbraw/zinc/89/73/38/562897338.db2.gz PTCKKLKSUNCGCE-JOCHJYFZSA-N 1 0 521.666 3.557 1 0 KHAFRO C=CC(=O)Nc1ccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)cc1 ZINC000473089259 562897373 /nfs/dbraw/zinc/89/73/73/562897373.db2.gz KRJJNZCBHDAELK-UHFFFAOYSA-N 1 0 508.026 3.793 1 0 KHAFRO CC[C@@H]1C(=O)Nc2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473092068 562897740 /nfs/dbraw/zinc/89/77/40/562897740.db2.gz ZUABLHLALIWUPH-JOCHJYFZSA-N 1 0 507.639 3.533 1 0 KHAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1C[NH2+]C1 ZINC000473092188 562897719 /nfs/dbraw/zinc/89/77/19/562897719.db2.gz RUCMNKAAZBJVHY-UHFFFAOYSA-N 1 0 534.086 3.737 1 0 KHAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5cc(C)c6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000473093448 562897767 /nfs/dbraw/zinc/89/77/67/562897767.db2.gz UAHOKMYVVUXBQX-UHFFFAOYSA-N 1 0 507.566 3.616 1 0 KHAFRO CCOC(=O)[C@]1(C)Oc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC)nc65)(CC3)OC4)nc2NC1=O ZINC000473093457 562897770 /nfs/dbraw/zinc/89/77/70/562897770.db2.gz UFQVBVOIBAJBPA-AYMNYOFFSA-N 1 0 579.629 3.629 1 0 KHAFRO CCOC(=O)[C@@]1(C)Oc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC)nc65)(CC3)OC4)nc2NC1=O ZINC000473093458 562897783 /nfs/dbraw/zinc/89/77/83/562897783.db2.gz UFQVBVOIBAJBPA-ZMTVJDMPSA-N 1 0 579.629 3.629 1 0 KHAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1CC[NH+](C)C ZINC000473093468 562897790 /nfs/dbraw/zinc/89/77/90/562897790.db2.gz ULBKRVUCPLAGRX-UHFFFAOYSA-N 1 0 548.113 3.908 1 0 KHAFRO C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Br)c1 ZINC000473093987 562897781 /nfs/dbraw/zinc/89/77/81/562897781.db2.gz UPHBATLYIRERJJ-UHFFFAOYSA-N 1 0 552.477 3.902 1 0 KHAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5nc6c(cc5C)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000473094125 562897834 /nfs/dbraw/zinc/89/78/34/562897834.db2.gz VWEJDPREEVXNAL-UHFFFAOYSA-N 1 0 507.566 3.616 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(-c4ccoc4)s3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000473098009 562897989 /nfs/dbraw/zinc/89/79/89/562897989.db2.gz FDMSAWHOFNKLFP-UHFFFAOYSA-N 1 0 522.631 3.871 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccco4)cs3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000473107073 562898298 /nfs/dbraw/zinc/89/82/98/562898298.db2.gz HGZFPVVGJSERMO-UHFFFAOYSA-N 1 0 522.631 3.871 1 0 KHAFRO CC(=O)Nc1cccc(-c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)o2)c1 ZINC000473107382 562898330 /nfs/dbraw/zinc/89/83/30/562898330.db2.gz ISHDHQXHGOLMHZ-UHFFFAOYSA-N 1 0 573.654 3.768 1 0 KHAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccoc4)cs3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000473109113 562898456 /nfs/dbraw/zinc/89/84/56/562898456.db2.gz PSTYCPQEOPGGPD-UHFFFAOYSA-N 1 0 522.631 3.871 1 0 KHAFRO CC(=O)Nc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)o2)cc1 ZINC000473109192 562898433 /nfs/dbraw/zinc/89/84/33/562898433.db2.gz QQLRQFVHZRNXFQ-UHFFFAOYSA-N 1 0 573.654 3.768 1 0 KHAFRO Cc1cncc(-c2cnc(N[C@@H]3CC[NH2+]C[C@H]3OC[C@H]3C[C@@H](C)S(=O)(=O)[C@@H](C)C3)c3[nH]c(=O)c(C)cc23)c1 ZINC000473109476 562898467 /nfs/dbraw/zinc/89/84/67/562898467.db2.gz SAXHBJIMQWJJCG-ZYWOQWQBSA-N 1 0 539.702 3.775 1 0 KHAFRO CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000473109869 562898490 /nfs/dbraw/zinc/89/84/90/562898490.db2.gz UCFIRUNAQQQREZ-UHFFFAOYSA-N 1 0 507.566 3.698 1 0 KHAFRO CC(=O)Nc1ccc(-c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)n(C)c2)cc1 ZINC000473110495 562898509 /nfs/dbraw/zinc/89/85/09/562898509.db2.gz WIZFTBFMHBYUQK-UHFFFAOYSA-N 1 0 586.697 3.514 1 0 KHAFRO C[C@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N12)C(=O)OCc1ccccc1 ZINC000473115553 562899063 /nfs/dbraw/zinc/89/90/63/562899063.db2.gz UHSKMILEIYUTIE-SAHBWUQYSA-N 1 0 716.839 3.648 1 0 KHAFRO Cc1cn(-c2ccnc(Nc3cc(C)c(OCC(=O)N4CCCC4)c(C)c3)n2)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000473123272 562899566 /nfs/dbraw/zinc/89/95/66/562899566.db2.gz UWHINXNBZSMUTC-XMMPIXPASA-N 1 0 504.635 3.504 1 0 KHAFRO CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](CC)CC)C4=O)ON1C ZINC000473134356 562900510 /nfs/dbraw/zinc/90/05/10/562900510.db2.gz HPGZGYYZNHMFPX-DHIUTWEWSA-N 1 0 560.588 3.944 1 0 KHAFRO CCOP(=O)(OCC)[C@@H]1C[C@@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](CC)CC)C4=O)ON1C ZINC000473134360 562900521 /nfs/dbraw/zinc/90/05/21/562900521.db2.gz HPGZGYYZNHMFPX-XZOQPEGZSA-N 1 0 560.588 3.944 1 0 KHAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[N@H+](CCO)CCC2 ZINC000473134837 562900556 /nfs/dbraw/zinc/90/05/56/562900556.db2.gz IRMGIUINRNWTRL-UHFFFAOYSA-N 1 0 546.093 3.970 1 0 KHAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[NH2+]CC2 ZINC000473134857 562900610 /nfs/dbraw/zinc/90/06/10/562900610.db2.gz IXPKKOYDMRELAG-UHFFFAOYSA-N 1 0 502.040 3.918 1 0 KHAFRO CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+]2CCCC2)C4=O)ON1C ZINC000473135204 562900652 /nfs/dbraw/zinc/90/06/52/562900652.db2.gz MKSAGABLDNGEAP-DHIUTWEWSA-N 1 0 558.572 3.698 1 0 KHAFRO CCOP(=O)(OCC)[C@@H]1C[C@@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+]2CCCC2)C4=O)ON1C ZINC000473135209 562900665 /nfs/dbraw/zinc/90/06/65/562900665.db2.gz MKSAGABLDNGEAP-XZOQPEGZSA-N 1 0 558.572 3.698 1 0 KHAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[NH2+]CCO2 ZINC000473135464 562900735 /nfs/dbraw/zinc/90/07/35/562900735.db2.gz QDJZMRPVQLAGDJ-UHFFFAOYSA-N 1 0 504.012 3.712 1 0 KHAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@H+](CCO)C2 ZINC000473136112 562900965 /nfs/dbraw/zinc/90/09/65/562900965.db2.gz XJWNNWKYALKNDK-UHFFFAOYSA-N 1 0 546.093 3.970 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473144725 562901269 /nfs/dbraw/zinc/90/12/69/562901269.db2.gz CEBDOJVLHITAQE-IZLXSDGUSA-N 1 0 508.688 3.857 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000473145178 562901277 /nfs/dbraw/zinc/90/12/77/562901277.db2.gz MEKNQHMQVCQDEW-SVBPBHIXSA-N 1 0 508.688 3.857 1 0 KHAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cn(C)cn1 ZINC000473145180 562901272 /nfs/dbraw/zinc/90/12/72/562901272.db2.gz MEKNQHMQVCQDEW-SXOMAYOGSA-N 1 0 508.688 3.857 1 0 KHAFRO CCOC(=O)[C@@H](CCCC[NH3+])NC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473146714 562901396 /nfs/dbraw/zinc/90/13/96/562901396.db2.gz CVYOYXSFQPQKDO-CYBMUJFWSA-N 1 0 505.419 3.711 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CO)nn2)C(C)C)C(C)C)ccc1OC ZINC000473146985 562901373 /nfs/dbraw/zinc/90/13/73/562901373.db2.gz DZXSLGDQAACFFD-AMEOFWRWSA-N 1 0 619.848 3.592 1 0 KHAFRO CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCCc3ccccc3)cs2)C1 ZINC000473150865 562901573 /nfs/dbraw/zinc/90/15/73/562901573.db2.gz MXGDZNUOAXCJOV-UBPKPXMNSA-N 1 0 583.799 3.809 1 0 KHAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CCO)nn2)C(C)C)C(C)C)ccc1OC ZINC000473151520 562901654 /nfs/dbraw/zinc/90/16/54/562901654.db2.gz PRXDOJCFLRALDE-SYKYGTKKSA-N 1 0 633.875 3.635 1 0 KHAFRO CC(C)Oc1ccc(C(=O)CN2CC[NH2+]CC2)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O ZINC000473152281 562901793 /nfs/dbraw/zinc/90/17/93/562901793.db2.gz SUHOCBLEGVWMJZ-UHFFFAOYSA-N 1 0 673.214 3.637 1 0 KHAFRO NC(=[NH2+])N1CCC[C@H]1c1nc(-c2ccc(N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2)no1 ZINC000473153128 562901925 /nfs/dbraw/zinc/90/19/25/562901925.db2.gz ZALIJDSHOMHGNW-KIWKPZNUSA-N 1 0 503.651 3.632 1 0 KHAFRO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000473164965 562902853 /nfs/dbraw/zinc/90/28/53/562902853.db2.gz IIOIOUYIVMDCKX-UHFFFAOYSA-N 1 0 501.612 3.770 1 0 KHAFRO C[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)CC1 ZINC000473165228 562902949 /nfs/dbraw/zinc/90/29/49/562902949.db2.gz SHSQBXHMJNQQLH-UHFFFAOYSA-N 1 0 514.655 3.951 1 0 KHAFRO C[NH+](C)[C@H]1CCN(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)C1 ZINC000473179091 562903322 /nfs/dbraw/zinc/90/33/22/562903322.db2.gz NQDLGVGBZZVLHJ-QHCPKHFHSA-N 1 0 514.655 3.949 1 0 KHAFRO COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(Nc4ccc(OCC[NH+](C)C)nc4)c3n2)cc(Cl)c1O ZINC000473213152 562903856 /nfs/dbraw/zinc/90/38/56/562903856.db2.gz BTXJYQCODJKJMA-UHFFFAOYSA-N 1 0 544.033 3.569 1 0 KHAFRO COc1ccc(COc2ccc(Cn3cnc4cc(N5CC[NH+]6CCC5CC6)cnc43)cc2OC)cn1 ZINC000473215434 562904017 /nfs/dbraw/zinc/90/40/17/562904017.db2.gz LRBMWVVYMSGWJD-UHFFFAOYSA-N 1 0 500.603 3.755 1 0 KHAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CC[NH2+]CC6)o5)cnc43)cc2OC)cn1 ZINC000473215458 562903991 /nfs/dbraw/zinc/90/39/91/562903991.db2.gz NFYFLWXBIHYPII-UHFFFAOYSA-N 1 0 527.585 3.988 1 0 KHAFRO COc1ccc(COc2ccc(Cn3cnc4cc(N5CC6(C5)CC[NH2+]CC6)cnc43)cc2OC)cn1 ZINC000473215483 562904077 /nfs/dbraw/zinc/90/40/77/562904077.db2.gz PKVRKFYLJXIDJS-UHFFFAOYSA-N 1 0 500.603 3.661 1 0 KHAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-n5cc([C@H]6CCC[NH2+]C6)nn5)cnc43)cc2OC)cn1 ZINC000473215490 562904012 /nfs/dbraw/zinc/90/40/12/562904012.db2.gz RAVQVOSIVIEHCN-NRFANRHFSA-N 1 0 526.601 3.519 1 0 KHAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-n5cc([C@@H]6CCC[NH2+]C6)nn5)cnc43)cc2OC)cn1 ZINC000473215491 562904016 /nfs/dbraw/zinc/90/40/16/562904016.db2.gz RAVQVOSIVIEHCN-OAQYLSRUSA-N 1 0 526.601 3.519 1 0 KHAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-c5noc(C6CC[NH2+]CC6)n5)cnc43)cc2OC)cn1 ZINC000473215505 562904029 /nfs/dbraw/zinc/90/40/29/562904029.db2.gz UFOSAOVNENJKCZ-UHFFFAOYSA-N 1 0 527.585 3.988 1 0 KHAFRO COc1ccc(COc2ccc(Cn3cnc4cc(N5CC[NH+](C6CC6)CC5)cnc43)cc2OC)cn1 ZINC000473215533 562904105 /nfs/dbraw/zinc/90/41/05/562904105.db2.gz ZEGUNGLZSRRDSK-UHFFFAOYSA-N 1 0 500.603 3.755 1 0 KHAFRO Cc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C(=O)NCC(C)C)[C@@H](C)O)cc(C(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000473233283 562904512 /nfs/dbraw/zinc/90/45/12/562904512.db2.gz ZKMCMCMWGYTFGC-HCTLCFFBSA-N 1 0 616.803 3.641 1 0 KHAFRO Cc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C(=O)NCC(C)C)[C@H](C)O)cc(C(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000473233284 562904581 /nfs/dbraw/zinc/90/45/81/562904581.db2.gz ZKMCMCMWGYTFGC-KMIJCKKQSA-N 1 0 616.803 3.641 1 0 KHAFRO Cc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C(=O)NCC(C)C)[C@H](C)O)cc(C(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000473233285 562904554 /nfs/dbraw/zinc/90/45/54/562904554.db2.gz ZKMCMCMWGYTFGC-OKNJOYEOSA-N 1 0 616.803 3.641 1 0 KHAFRO Cc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C(=O)NCC(C)C)[C@@H](C)O)cc(C(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000473233287 562904546 /nfs/dbraw/zinc/90/45/46/562904546.db2.gz ZKMCMCMWGYTFGC-OSRSFBGKSA-N 1 0 616.803 3.641 1 0 KHAFRO COc1cccc([C@H]([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)[C@H](C)O)c1 ZINC000473233290 562904566 /nfs/dbraw/zinc/90/45/66/562904566.db2.gz ZVIRRZKUIQYJIP-FKNFCQKXSA-N 1 0 702.874 3.996 1 0 KHAFRO COc1cccc([C@H]([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)[C@H](C)O)c1 ZINC000473233293 562904550 /nfs/dbraw/zinc/90/45/50/562904550.db2.gz ZVIRRZKUIQYJIP-MHYIKYTMSA-N 1 0 702.874 3.996 1 0 KHAFRO COc1cccc([C@H]([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)[C@@H](C)O)c1 ZINC000473233294 562904583 /nfs/dbraw/zinc/90/45/83/562904583.db2.gz ZVIRRZKUIQYJIP-NZGZKMNHSA-N 1 0 702.874 3.996 1 0 KHAFRO COc1cccc([C@H]([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)[C@@H](C)O)c1 ZINC000473233296 562904556 /nfs/dbraw/zinc/90/45/56/562904556.db2.gz ZVIRRZKUIQYJIP-QTFMIKCDSA-N 1 0 702.874 3.996 1 0 KHAFRO CC[C@]1(O)Cc2cc3n(c(=O)c2COC1=O)CC1=C(C[NH+]2CCC(C)CC2)[C@H]2C=C(C)C(Cl)=C[C@@H]2N=C31 ZINC000473235098 562904599 /nfs/dbraw/zinc/90/45/99/562904599.db2.gz MCKMKRWWGUTSQI-CHNYNYQGSA-N 1 0 524.061 3.501 1 0 KHAFRO CC[C@]1(O)Cc2cc3n(c(=O)c2COC1=O)CC1=C(C[NH+]2CCC(C)CC2)[C@@H]2C=C(C)C(Cl)=C[C@@H]2N=C31 ZINC000473235100 562904588 /nfs/dbraw/zinc/90/45/88/562904588.db2.gz MCKMKRWWGUTSQI-KADOZOMVSA-N 1 0 524.061 3.501 1 0 KHAFRO CC[C@]1(O)Cc2cc3n(c(=O)c2COC1=O)CC1=C(C[NH+]2CCC(C)CC2)[C@H]2C=C(C)C(Cl)=C[C@H]2N=C31 ZINC000473235103 562904612 /nfs/dbraw/zinc/90/46/12/562904612.db2.gz MCKMKRWWGUTSQI-OLIZHGJZSA-N 1 0 524.061 3.501 1 0 KHAFRO CC[C@]1(O)Cc2cc3n(c(=O)c2COC1=O)CC1=C(C[NH+]2CCC(C)CC2)[C@@H]2C=C(C)C(Cl)=C[C@H]2N=C31 ZINC000473235106 562904585 /nfs/dbraw/zinc/90/45/85/562904585.db2.gz MCKMKRWWGUTSQI-OVGHYBAFSA-N 1 0 524.061 3.501 1 0 KHAFRO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@@H]4[C@H]4CCCC[N@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000473236383 562904635 /nfs/dbraw/zinc/90/46/35/562904635.db2.gz BTRBVLVZBYMHDD-WOJBJXKFSA-N 1 0 516.572 3.920 1 0 KHAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000473243796 562904721 /nfs/dbraw/zinc/90/47/21/562904721.db2.gz BCZRVAOCBSUBRK-MKPDMIMOSA-N 1 0 575.758 3.544 1 0 KHAFRO CCN1CCN2CCS(=O)(=O)N(C)c3cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]Cc4cccc(C(F)(F)F)c4)cc1c32 ZINC000473243963 562904760 /nfs/dbraw/zinc/90/47/60/562904760.db2.gz GQKFWIKPGSOBHH-LITSAYRRSA-N 1 0 645.748 3.623 1 0 KHAFRO O=C(CCCO)N(CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000473244357 562904804 /nfs/dbraw/zinc/90/48/04/562904804.db2.gz JIFQCPHVZDOVOK-UHFFFAOYSA-N 1 0 502.103 3.709 1 0 KHAFRO O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23)N1CCC1 ZINC000474609029 562905539 /nfs/dbraw/zinc/90/55/39/562905539.db2.gz NUFNJQZJHUDPSJ-ZFIHGSKBSA-N 1 0 529.625 3.851 1 0 KHAFRO COC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23 ZINC000474609549 562905572 /nfs/dbraw/zinc/90/55/72/562905572.db2.gz QTASUSYBPOIYGV-DQMRONCHSA-N 1 0 504.571 3.792 1 0 KHAFRO CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23 ZINC000474609632 562905577 /nfs/dbraw/zinc/90/55/77/562905577.db2.gz RPOUKFDLPIQZOR-HWLQVEPHSA-N 1 0 517.614 3.707 1 0 KHAFRO CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]23 ZINC000474609943 562905783 /nfs/dbraw/zinc/90/57/83/562905783.db2.gz XTDIXDPSUUNDMX-HWLQVEPHSA-N 1 0 501.615 3.827 1 0 KHAFRO CCOC(=O)CC[C@@H](C(=O)OCC)n1nnc2cc(Nc3c(C)n(O)c4cc(Cl)ccc4[n+]3=O)ccc21 ZINC000514290511 562905819 /nfs/dbraw/zinc/90/58/19/562905819.db2.gz MUAXLHAAXKXPSY-FQEVSTJZSA-N 1 0 529.961 3.691 1 0 KHAFRO CCOC(=O)CC[C@H](C(=O)OCC)n1nnc2cc(Nc3c(C)n(O)c4cc(Cl)ccc4[n+]3=O)ccc21 ZINC000514290512 562905817 /nfs/dbraw/zinc/90/58/17/562905817.db2.gz MUAXLHAAXKXPSY-HXUWFJFHSA-N 1 0 529.961 3.691 1 0 KHAFRO COc1cccc(Oc2cccc(N3CCCCC3)c2CNC(=[NH2+])NC(=O)c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)c1 ZINC000584904855 562905821 /nfs/dbraw/zinc/90/58/21/562905821.db2.gz UDMPHIGEFLMAIW-VWLOTQADSA-N 1 0 545.640 3.887 1 0 in-vitro KHAFRO COCCN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)CC1 ZINC000653680463 562906306 /nfs/dbraw/zinc/90/63/06/562906306.db2.gz OLPNESUVOGBIBW-AREMUKBSSA-N 1 0 563.816 3.979 1 0 KHAFRO COCCN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@H]4CCN(C)C4)CC3)n2)CC1 ZINC000653680464 562906322 /nfs/dbraw/zinc/90/63/22/562906322.db2.gz OLPNESUVOGBIBW-SANMLTNESA-N 1 0 563.816 3.979 1 0 KHAFRO CN(C)[C@@H]1CCC[N@H+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653681045 562906338 /nfs/dbraw/zinc/90/63/38/562906338.db2.gz STZBIAMKHPNIHH-DNQXCXABSA-N 1 0 547.773 3.912 1 0 KHAFRO CN(C)[C@H]1CCC[N@H+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653681046 562906352 /nfs/dbraw/zinc/90/63/52/562906352.db2.gz STZBIAMKHPNIHH-RPWUZVMVSA-N 1 0 547.773 3.912 1 0 KHAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653684991 562906459 /nfs/dbraw/zinc/90/64/59/562906459.db2.gz BXQIJEWXGSNMPH-UPVQGACJSA-N 1 0 533.746 3.665 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653684993 562906423 /nfs/dbraw/zinc/90/64/23/562906423.db2.gz BXQIJEWXGSNMPH-VWNXMTODSA-N 1 0 533.746 3.665 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000653687058 562906547 /nfs/dbraw/zinc/90/65/47/562906547.db2.gz CNWZAPSUIANDKJ-KNYYLJOQSA-N 1 0 626.798 3.956 1 0 KHAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000653687059 562906567 /nfs/dbraw/zinc/90/65/67/562906567.db2.gz CNWZAPSUIANDKJ-SBLQOOQRSA-N 1 0 626.798 3.956 1 0 KHAFRO Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCC[NH+]1CCN(Cc3cc(O)cc(O)c3)CC1)C2 ZINC000653689007 562906637 /nfs/dbraw/zinc/90/66/37/562906637.db2.gz HRENYLUIHAWKOD-UHFFFAOYSA-N 1 0 504.635 3.800 1 0 KHAFRO COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](C)[NH3+] ZINC000653691078 562906699 /nfs/dbraw/zinc/90/66/99/562906699.db2.gz MOBFDASSTHNSLS-FSJAGCDVSA-N 1 0 521.570 3.542 1 0 KHAFRO COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](C)[NH3+] ZINC000653691079 562906690 /nfs/dbraw/zinc/90/66/90/562906690.db2.gz MOBFDASSTHNSLS-RCQUUQHHSA-N 1 0 521.570 3.542 1 0 KHAFRO COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](C)[NH3+] ZINC000653691080 562906687 /nfs/dbraw/zinc/90/66/87/562906687.db2.gz MOBFDASSTHNSLS-SJZLBXHKSA-N 1 0 521.570 3.542 1 0 KHAFRO COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](C)[NH3+] ZINC000653691081 562906683 /nfs/dbraw/zinc/90/66/83/562906683.db2.gz MOBFDASSTHNSLS-YIOXSFGVSA-N 1 0 521.570 3.542 1 0 KHAFRO CCCc1nc2c(cc(C(=O)NCCN3CC[NH+](C)CC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[nH]n2)cc1 ZINC000653694223 562906932 /nfs/dbraw/zinc/90/69/32/562906932.db2.gz PWIKVWDNLUERHL-UHFFFAOYSA-N 1 0 620.762 3.755 1 0 KHAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1OC ZINC000653703242 562907629 /nfs/dbraw/zinc/90/76/29/562907629.db2.gz ZTQQPPORKRCKLL-AHKZPQOWSA-N 1 0 543.108 3.621 1 0 KHAFRO CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(-c4cccc(F)n4)cc3)c(Nc3cc[nH+]cc3)c2C1=O ZINC000653704159 562907588 /nfs/dbraw/zinc/90/75/88/562907588.db2.gz DDJSHBKEHPMIMN-YADHBBJMSA-N 1 0 508.561 3.876 1 0 KHAFRO [NH3+]CCOCCOCCOCCOCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000653704182 562907594 /nfs/dbraw/zinc/90/75/94/562907594.db2.gz IHHQFBOSWSRNSV-UHFFFAOYSA-N 1 0 540.532 3.726 1 0 KHAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(F)cc3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706315 562907788 /nfs/dbraw/zinc/90/77/88/562907788.db2.gz IKATYVLKRJLJSK-GDLZYMKVSA-N 1 0 575.733 3.930 1 0 KHAFRO COC(=O)c1ccccc1N1CCN(C(=O)N[C@H](Cc2cc3c[nH]nc3c(C)c2)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000653706332 562907829 /nfs/dbraw/zinc/90/78/29/562907829.db2.gz NMHCVXFCRULPKG-GDLZYMKVSA-N 1 0 615.779 3.578 1 0 KHAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccccc3F)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706333 562907832 /nfs/dbraw/zinc/90/78/32/562907832.db2.gz OFDKZSATXPHXCO-MUUNZHRXSA-N 1 0 575.733 3.930 1 0 KHAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccccc3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706347 562907828 /nfs/dbraw/zinc/90/78/28/562907828.db2.gz UQLLVEMMKHWVMV-GDLZYMKVSA-N 1 0 557.743 3.791 1 0 KHAFRO CCOC(=O)c1ccc(N2CCN(C(=O)N[C@H](Cc3cc4c[nH]nc4c(C)c3)C(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)cc1 ZINC000653706355 562907849 /nfs/dbraw/zinc/90/78/49/562907849.db2.gz YKBPJLKHVTYMGB-WJOKGBTCSA-N 1 0 629.806 3.968 1 0 KHAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3Cl)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653708009 562907962 /nfs/dbraw/zinc/90/79/62/562907962.db2.gz HPLDMLVYRDSJID-GDLZYMKVSA-N 1 0 670.280 3.848 1 0 KHAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(NC(N)=[NH2+])c1)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653718347 562908643 /nfs/dbraw/zinc/90/86/43/562908643.db2.gz JQQMSZKXILSUAW-TUCRWICHSA-N 1 0 715.896 3.611 1 0 KHAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653719488 562908670 /nfs/dbraw/zinc/90/86/70/562908670.db2.gz BKEHOIHIASCXAK-TUCRWICHSA-N 1 0 715.896 3.611 1 0 KHAFRO Cn1c(SCCC[N@H+]2C[C@H]3[C@@H](CCN3c3cccc(OC(F)(F)F)c3)C2)nnc1-c1cnccn1 ZINC000653723258 562908862 /nfs/dbraw/zinc/90/88/62/562908862.db2.gz IZZNYYLQSUDWDO-JXFKEZNVSA-N 1 0 505.570 3.864 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723259 562908851 /nfs/dbraw/zinc/90/88/51/562908851.db2.gz IZZNYYLQSUDWDO-OXJNMPFZSA-N 1 0 505.570 3.864 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4cccc(OC(F)(F)F)c4)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723260 562908833 /nfs/dbraw/zinc/90/88/33/562908833.db2.gz IZZNYYLQSUDWDO-OXQOHEQNSA-N 1 0 505.570 3.864 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4cccc(OC(F)(F)F)c4)[C@H]3C2)nnc1-c1cnccn1 ZINC000653723261 562908847 /nfs/dbraw/zinc/90/88/47/562908847.db2.gz IZZNYYLQSUDWDO-UZLBHIALSA-N 1 0 505.570 3.864 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccccc4OC(F)(F)F)[C@H]3C2)nnc1-c1cnccn1 ZINC000653723366 562908873 /nfs/dbraw/zinc/90/88/73/562908873.db2.gz ZXYDGAXWWXINKE-APWZRJJASA-N 1 0 505.570 3.864 1 0 KHAFRO Cn1c(SCCC[N@H+]2C[C@H]3[C@@H](CCN3c3ccccc3OC(F)(F)F)C2)nnc1-c1cnccn1 ZINC000653723367 562908882 /nfs/dbraw/zinc/90/88/82/562908882.db2.gz ZXYDGAXWWXINKE-LPHOPBHVSA-N 1 0 505.570 3.864 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@@H]3CCN(c4ccccc4OC(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723368 562908885 /nfs/dbraw/zinc/90/88/85/562908885.db2.gz ZXYDGAXWWXINKE-QFBILLFUSA-N 1 0 505.570 3.864 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccccc4OC(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723369 562908896 /nfs/dbraw/zinc/90/88/96/562908896.db2.gz ZXYDGAXWWXINKE-VQIMIIECSA-N 1 0 505.570 3.864 1 0 KHAFRO Nc1ncnc2c1c(-c1ccc(F)c(OCC34CCC(CC3)O4)c1)cn2[C@H]1C[C@@H](CN2CCS(=O)CC2)C1 ZINC000653724576 562908953 /nfs/dbraw/zinc/90/89/53/562908953.db2.gz AZQQNVIGOOLLIA-RMWMHFENSA-N 1 0 539.677 3.925 1 0 KHAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[NH2+]C(C)C)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653724792 562908988 /nfs/dbraw/zinc/90/89/88/562908988.db2.gz VDYRNLWQAAFUFY-SUGCFTRWSA-N 1 0 667.892 3.841 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725047 562909019 /nfs/dbraw/zinc/90/90/19/562909019.db2.gz STIWHEMFVTWALB-DYESRHJHSA-N 1 0 518.609 3.893 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725048 562909038 /nfs/dbraw/zinc/90/90/38/562909038.db2.gz STIWHEMFVTWALB-LAUBAEHRSA-N 1 0 518.609 3.893 1 0 KHAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725049 562909021 /nfs/dbraw/zinc/90/90/21/562909021.db2.gz STIWHEMFVTWALB-UTKZUKDTSA-N 1 0 518.609 3.893 1 0 KHAFRO Cn1c(SCCC[N@H+]2C[C@H]3[C@@H](CCN3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725050 562909045 /nfs/dbraw/zinc/90/90/45/562909045.db2.gz STIWHEMFVTWALB-UWJYYQICSA-N 1 0 518.609 3.893 1 0 KHAFRO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ccc(C(F)(F)F)cc2)n1C ZINC000653726435 562909179 /nfs/dbraw/zinc/90/91/79/562909179.db2.gz GWXIZHPBMCIUCC-MOPGFXCFSA-N 1 0 508.570 3.869 1 0 KHAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@@H]3OCCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)n1C ZINC000653726436 562909168 /nfs/dbraw/zinc/90/91/68/562909168.db2.gz GWXIZHPBMCIUCC-OALUTQOASA-N 1 0 508.570 3.869 1 0 KHAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)n1C ZINC000653726437 562909153 /nfs/dbraw/zinc/90/91/53/562909153.db2.gz GWXIZHPBMCIUCC-RBUKOAKNSA-N 1 0 508.570 3.869 1 0 KHAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)n1C ZINC000653726438 562909148 /nfs/dbraw/zinc/90/91/48/562909148.db2.gz GWXIZHPBMCIUCC-RTBURBONSA-N 1 0 508.570 3.869 1 0 KHAFRO CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cccc(OCC56CCC(CC5)O6)c4)c4c3ncnc4N)C2)CC1 ZINC000653729212 562909358 /nfs/dbraw/zinc/90/93/58/562909358.db2.gz FMTQHAXNHBODDV-FYWDEPLMSA-N 1 0 516.646 3.639 1 0 KHAFRO CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cccc(OCC56CCC(CC5)O6)c4F)c4c3ncnc4N)C2)CC1 ZINC000653733743 562909585 /nfs/dbraw/zinc/90/95/85/562909585.db2.gz GDQNZUACBYERBG-NMHAHAAISA-N 1 0 534.636 3.778 1 0 KHAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000653735921 562909634 /nfs/dbraw/zinc/90/96/34/562909634.db2.gz CFCHIEDCTWPVCJ-JOXZGHKQSA-N 1 0 503.474 3.632 1 0 KHAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@@H](O)C3)[C@@H]21 ZINC000653735922 562909658 /nfs/dbraw/zinc/90/96/58/562909658.db2.gz CFCHIEDCTWPVCJ-UWIXBZKZSA-N 1 0 503.474 3.632 1 0 KHAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@H](O)C3)[C@@H]21 ZINC000653735923 562909654 /nfs/dbraw/zinc/90/96/54/562909654.db2.gz CFCHIEDCTWPVCJ-WBWGFTFRSA-N 1 0 503.474 3.632 1 0 KHAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@H](O)C3)[C@H]21 ZINC000653735924 562909666 /nfs/dbraw/zinc/90/96/66/562909666.db2.gz CFCHIEDCTWPVCJ-ZUDIISFQSA-N 1 0 503.474 3.632 1 0 KHAFRO CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cc(OCC56CCC(CC5)O6)ccc4F)c4c3ncnc4N)C2)CC1 ZINC000653737780 562909874 /nfs/dbraw/zinc/90/98/74/562909874.db2.gz YOTQLOMFEGZDSX-NMHAHAAISA-N 1 0 534.636 3.778 1 0 KHAFRO Cc1cc(Nc2ncnc(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CC[NH+](C)CC1 ZINC000653746707 562910482 /nfs/dbraw/zinc/91/04/82/562910482.db2.gz QZTJFPNDINUDKF-UHFFFAOYSA-N 1 0 540.694 3.933 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653754929 562910832 /nfs/dbraw/zinc/91/08/32/562910832.db2.gz UJYWAKUSEQRDHA-DHIUTWEWSA-N 1 0 533.746 3.522 1 0 KHAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653754930 562910834 /nfs/dbraw/zinc/91/08/34/562910834.db2.gz UJYWAKUSEQRDHA-PKTZIBPZSA-N 1 0 533.746 3.522 1 0 KHAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000653755982 562910964 /nfs/dbraw/zinc/91/09/64/562910964.db2.gz ORPTXCCDPAWLPO-NNNUEHOVSA-N 1 0 504.594 3.925 1 0 KHAFRO [NH3+][C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)c4cccc(C(F)(F)F)c4)nc3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000653757077 562910997 /nfs/dbraw/zinc/91/09/97/562910997.db2.gz HECNNSAYFGDCAE-QGCDCVKKSA-N 1 0 528.503 3.590 1 0 KHAFRO Cc1cc(S(=O)(=O)NCC[NH+](C)C)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653760110 562911244 /nfs/dbraw/zinc/91/12/44/562911244.db2.gz OIYUPFCCMSWBCL-UHFFFAOYSA-N 1 0 561.664 3.550 1 0 KHAFRO COc1ccc(-c2ccc3ncc(C(N)=O)c(Nc4ccc(N5CC[NH2+]CC5)c(C(F)(F)F)c4)c3c2)cn1 ZINC000653761019 562911331 /nfs/dbraw/zinc/91/13/31/562911331.db2.gz YKSBJLBTCMITSS-UHFFFAOYSA-N 1 0 522.531 3.998 1 0 KHAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccncn5)c4)cc32)c1C ZINC000653762214 562911399 /nfs/dbraw/zinc/91/13/99/562911399.db2.gz GTKCFZUMEXPVOB-UCQKPKSFSA-N 1 0 524.629 3.839 1 0 KHAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ncccn5)c4)cc32)c1C ZINC000653762262 562911407 /nfs/dbraw/zinc/91/14/07/562911407.db2.gz SXPBPTCVXPYEAO-HAHDFKILSA-N 1 0 524.629 3.839 1 0 KHAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5cnccn5)c4)cc32)c1C ZINC000653762274 562911395 /nfs/dbraw/zinc/91/13/95/562911395.db2.gz YWPVEEDWDAANBW-UCQKPKSFSA-N 1 0 524.629 3.839 1 0 KHAFRO O[C@](Cn1cncn1)(C[NH+]1CCC(c2nnc(-c3c(F)cccc3F)o2)CC1)c1ccc(F)cc1F ZINC000653762398 562911417 /nfs/dbraw/zinc/91/14/17/562911417.db2.gz SVVJPDRDYHXYNO-DEOSSOPVSA-N 1 0 502.472 3.652 1 0 KHAFRO O[C@@](Cn1cncn1)(C[NH+]1CCC(c2nnc(-c3c(F)cccc3F)o2)CC1)c1ccc(F)cc1F ZINC000653762399 562911455 /nfs/dbraw/zinc/91/14/55/562911455.db2.gz SVVJPDRDYHXYNO-XMMPIXPASA-N 1 0 502.472 3.652 1 0 KHAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2/c3cc(-c4cnn(-c5ccc(S(N)(=O)=O)cc5)c4)ccc3NC2=O)c1C ZINC000653763871 562911503 /nfs/dbraw/zinc/91/15/03/562911503.db2.gz OWMANXXDVOBLCG-QQXSKIMKSA-N 1 0 601.733 3.696 1 0 KHAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)NCc1ccc(Br)nc1)C21CC1 ZINC000653768326 562911726 /nfs/dbraw/zinc/91/17/26/562911726.db2.gz QKGAZUZXYRKCTC-NPDDRXJXSA-N 1 0 503.485 3.505 1 0 KHAFRO CC(=O)N[C@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768333 562911748 /nfs/dbraw/zinc/91/17/48/562911748.db2.gz ZUMVEPKZDXTGAW-DQEYMECFSA-N 1 0 547.773 3.925 1 0 KHAFRO CC(=O)N[C@@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768334 562911730 /nfs/dbraw/zinc/91/17/30/562911730.db2.gz ZUMVEPKZDXTGAW-RPBOFIJWSA-N 1 0 547.773 3.925 1 0 KHAFRO CN(C)[C@@H]1CC[N@H+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653773139 562911851 /nfs/dbraw/zinc/91/18/51/562911851.db2.gz DRDCECDCZJUZJG-DHIUTWEWSA-N 1 0 533.746 3.522 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775800 562911937 /nfs/dbraw/zinc/91/19/37/562911937.db2.gz VMROUOREXJMAKQ-DNQXCXABSA-N 1 0 547.773 3.912 1 0 KHAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CCC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775801 562911908 /nfs/dbraw/zinc/91/19/08/562911908.db2.gz VMROUOREXJMAKQ-RPWUZVMVSA-N 1 0 547.773 3.912 1 0 KHAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CCN(C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775802 562911910 /nfs/dbraw/zinc/91/19/10/562911910.db2.gz WGJRSLCQRLRDRN-DEOSSOPVSA-N 1 0 519.763 3.962 1 0 KHAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCN(C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775803 562911914 /nfs/dbraw/zinc/91/19/14/562911914.db2.gz WGJRSLCQRLRDRN-XMMPIXPASA-N 1 0 519.763 3.962 1 0 KHAFRO COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CCNC(N)=[NH2+])cc1Br)=NO2 ZINC000653785919 562912375 /nfs/dbraw/zinc/91/23/75/562912375.db2.gz NXWCXCHASINSTM-KNQAVFIVSA-N 1 0 759.088 3.544 1 0 KHAFRO Cc1c(CC(=O)NCC[NH+](C)C)c2cc(NC(=O)OC(C)(C)C)ccc2n1S(=O)(=O)c1ccccc1 ZINC000653787381 562912458 /nfs/dbraw/zinc/91/24/58/562912458.db2.gz HCWAJXHGAZEVCT-UHFFFAOYSA-N 1 0 514.648 3.754 1 0 KHAFRO CCC(=O)Nc1ccc2c(c1)c(CC(=O)NCC[NH+](C)C)c(C)n2C(=O)c1ccc(Br)cc1 ZINC000653790531 562912644 /nfs/dbraw/zinc/91/26/44/562912644.db2.gz ZPNTVYAWTOQCIU-UHFFFAOYSA-N 1 0 513.436 3.970 1 0 KHAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N)nc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)n2)C(F)(F)F)n1 ZINC000653795737 562913111 /nfs/dbraw/zinc/91/31/11/562913111.db2.gz COCRWHMQVKJVDQ-DYESRHJHSA-N 1 0 565.984 3.922 1 0 KHAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N)nc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)n2)C(F)(F)F)n1 ZINC000653795739 562913099 /nfs/dbraw/zinc/91/30/99/562913099.db2.gz COCRWHMQVKJVDQ-LAUBAEHRSA-N 1 0 565.984 3.922 1 0 KHAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@@]4(C[NH2+][C@@H](C(=O)[O-])C4)C3)nc(N)n2)C(F)(F)F)n1 ZINC000653802175 562913488 /nfs/dbraw/zinc/91/34/88/562913488.db2.gz DZBAYRBNSFSQCL-AYPBNUJASA-N 1 0 551.957 3.532 1 0 KHAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@@]4(C[NH2+][C@H](C(=O)[O-])C4)C3)nc(N)n2)C(F)(F)F)n1 ZINC000653802176 562913462 /nfs/dbraw/zinc/91/34/62/562913462.db2.gz DZBAYRBNSFSQCL-LERMDLETSA-N 1 0 551.957 3.532 1 0 KHAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@]4(C[NH2+][C@@H](C(=O)[O-])C4)C3)nc(N)n2)C(F)(F)F)n1 ZINC000653802177 562913473 /nfs/dbraw/zinc/91/34/73/562913473.db2.gz DZBAYRBNSFSQCL-LQNXUBFPSA-N 1 0 551.957 3.532 1 0 KHAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@]4(C[NH2+][C@H](C(=O)[O-])C4)C3)nc(N)n2)C(F)(F)F)n1 ZINC000653802178 562913498 /nfs/dbraw/zinc/91/34/98/562913498.db2.gz DZBAYRBNSFSQCL-YBVWCTEOSA-N 1 0 551.957 3.532 1 0 KHAFRO CO[C@]12C=C[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5 ZINC000653808729 562913789 /nfs/dbraw/zinc/91/37/89/562913789.db2.gz DNVSPOULYYBPLY-WUHZNUJESA-N 1 0 567.727 3.814 1 0 KHAFRO Cc1ccc(OCC(F)(F)F)c(OCC[NH2+][C@@H](C)Cc2cc3ccn(CCCO)c3c(C(N)=O)c2)c1 ZINC000653812636 562913877 /nfs/dbraw/zinc/91/38/77/562913877.db2.gz KYFDMTNYQFXNHE-SFHVURJKSA-N 1 0 507.553 3.972 1 0 KHAFRO COc1cc([C@H]2C3=C(COC3=O)N(CC[NH+]3CCCCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823231 562914303 /nfs/dbraw/zinc/91/43/03/562914303.db2.gz KDWNTLBZGYNDDJ-RUZDIDTESA-N 1 0 508.571 3.690 1 0 KHAFRO COc1cc([C@@H]2C3=C(COC3=O)N(CC[NH+]3CCCCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823232 562914263 /nfs/dbraw/zinc/91/42/63/562914263.db2.gz KDWNTLBZGYNDDJ-VWLOTQADSA-N 1 0 508.571 3.690 1 0 KHAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000653830142 562914521 /nfs/dbraw/zinc/91/45/21/562914521.db2.gz PDRRYOOAVIWTOJ-SHQCIBLASA-N 1 0 539.721 3.824 1 0 KHAFRO C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1cc(Cl)ccc1OCC(F)(F)F ZINC000653831333 562914588 /nfs/dbraw/zinc/91/45/88/562914588.db2.gz QJLFFFPWEZNFJB-MRXNPFEDSA-N 1 0 529.987 3.725 1 0 KHAFRO C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1cc(Cl)ccc1OCC(F)(F)F ZINC000653833248 562914610 /nfs/dbraw/zinc/91/46/10/562914610.db2.gz QJLFFFPWEZNFJB-INIZCTEOSA-N 1 0 529.987 3.725 1 0 KHAFRO C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1cc(Br)ccc1OCC(F)(F)F ZINC000653833259 562914609 /nfs/dbraw/zinc/91/46/09/562914609.db2.gz RWDAFKHZHMRDPE-INIZCTEOSA-N 1 0 574.438 3.834 1 0 KHAFRO C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1cc(Br)ccc1OCC(F)(F)F ZINC000653833260 562914607 /nfs/dbraw/zinc/91/46/07/562914607.db2.gz RWDAFKHZHMRDPE-MRXNPFEDSA-N 1 0 574.438 3.834 1 0 KHAFRO CCc1ccc(OCC(F)(F)F)c(OCC[NH2+][C@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 ZINC000653833269 562914605 /nfs/dbraw/zinc/91/46/05/562914605.db2.gz UOWAXGFANRXZNS-GOSISDBHSA-N 1 0 523.596 3.634 1 0 KHAFRO CCc1ccc(OCC(F)(F)F)c(OCC[NH2+][C@@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 ZINC000653833270 562914617 /nfs/dbraw/zinc/91/46/17/562914617.db2.gz UOWAXGFANRXZNS-SFHVURJKSA-N 1 0 523.596 3.634 1 0 KHAFRO CCCCn1c2nc3n(c2c(=O)n(CCCC)c1=O)CCCN3c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000653835487 562914690 /nfs/dbraw/zinc/91/46/90/562914690.db2.gz ZYNZMEVLODMRNO-UHFFFAOYSA-N 1 0 508.667 3.976 1 0 KHAFRO C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1ccccc1OCc1ccccc1 ZINC000653835872 562914713 /nfs/dbraw/zinc/91/47/13/562914713.db2.gz REJMTGCSIUAMRO-JOCHJYFZSA-N 1 0 503.643 3.709 1 0 KHAFRO C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1ccccc1OCc1ccccc1 ZINC000653835873 562914699 /nfs/dbraw/zinc/91/46/99/562914699.db2.gz REJMTGCSIUAMRO-QFIPXVFZSA-N 1 0 503.643 3.709 1 0 KHAFRO COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1C[NH2+][C@H](COC(N)=O)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837904 562914789 /nfs/dbraw/zinc/91/47/89/562914789.db2.gz LVZXFOGLYILNFL-OARDWFSCSA-N 1 0 560.651 3.981 1 0 KHAFRO COc1ccc(Oc2cccc(N3CCCCC3)c2CNC(=[NH2+])NC(=O)c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)cc1 ZINC000653842155 562914948 /nfs/dbraw/zinc/91/49/48/562914948.db2.gz VWBADURTNSPRGR-VWLOTQADSA-N 1 0 545.640 3.887 1 0 KHAFRO [NH2+]=C(NCc1c(Oc2ccccc2)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653842168 562914936 /nfs/dbraw/zinc/91/49/36/562914936.db2.gz ZJWNFIPJOQCMNW-DEOSSOPVSA-N 1 0 515.614 3.878 1 0 KHAFRO CCC[N@H+](C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c(C)c1C ZINC000653843499 562914991 /nfs/dbraw/zinc/91/49/91/562914991.db2.gz LBQZXQMJOHXVBN-NRFANRHFSA-N 1 0 530.691 3.643 1 0 KHAFRO Cn1c(C(=O)NCC[NH+]2CCCC2)cc2c1ncnc2-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000653844254 562915028 /nfs/dbraw/zinc/91/50/28/562915028.db2.gz GOXSAAVXSUUEEM-QHCPKHFHSA-N 1 0 561.687 3.799 1 0 KHAFRO CCc1cc(-c2noc(-c3ccc(C)c(C[N@H+](C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653844304 562915033 /nfs/dbraw/zinc/91/50/33/562915033.db2.gz MPVPBMGWPRNOFV-VWLOTQADSA-N 1 0 524.662 3.519 1 0 KHAFRO CCCC[N@H+](C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C ZINC000653844321 562915067 /nfs/dbraw/zinc/91/50/67/562915067.db2.gz RWNAEBWZUCNLRW-VWLOTQADSA-N 1 0 524.662 3.663 1 0 KHAFRO CCc1cc(-c2noc(-c3sc(C[N@H+](C)CC(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653845114 562915096 /nfs/dbraw/zinc/91/50/96/562915096.db2.gz QQCRLMZNIPHVFY-QFIPXVFZSA-N 1 0 544.718 3.889 1 0 KHAFRO CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CCC[N@@H+]4CCCS(C)(=O)=O)CC3)cc2CS1(=O)=O ZINC000653845369 562915151 /nfs/dbraw/zinc/91/51/51/562915151.db2.gz BRXPEZGPMOEOCA-UHFFFAOYSA-N 1 0 553.150 3.551 1 0 KHAFRO CC(=O)Nc1ccc(-c2ccc(N3CC[NH+](C)CC3)c(NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c2)cn1 ZINC000653845393 562915159 /nfs/dbraw/zinc/91/51/59/562915159.db2.gz OJAXIKLEQGASLZ-UHFFFAOYSA-N 1 0 514.508 3.831 1 0 KHAFRO CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C[NH+](CC)CC ZINC000653845444 562915207 /nfs/dbraw/zinc/91/52/07/562915207.db2.gz HHQUGBXEPAXXNM-VWLOTQADSA-N 1 0 524.662 3.527 1 0 KHAFRO [NH2+]=C(NCc1ccccc1N1CCC(Cc2ccccc2)CC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653845471 562915185 /nfs/dbraw/zinc/91/51/85/562915185.db2.gz PPAWYWHWDDQEAJ-SANMLTNESA-N 1 0 513.642 3.554 1 0 KHAFRO [NH2+]=C(NCc1c(OC2CCCCC2)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653846631 562915238 /nfs/dbraw/zinc/91/52/38/562915238.db2.gz WPYBQFLIRWEBKB-DEOSSOPVSA-N 1 0 521.662 3.797 1 0 KHAFRO CN(Cc1ccc(Cl)cc1Cl)c1ccnc(N2CCC3(CCN(C(=O)[C@@H]4CCC[NH2+]4)C3)CC2)n1 ZINC000653848335 562915323 /nfs/dbraw/zinc/91/53/23/562915323.db2.gz XJDIUCAMHVODIH-NRFANRHFSA-N 1 0 503.478 3.991 1 0 KHAFRO CN(Cc1ccc(Cl)cc1Cl)c1ccnc(N2CCC3(CCN(C(=O)[C@H]4CCC[NH2+]4)C3)CC2)n1 ZINC000653848336 562915316 /nfs/dbraw/zinc/91/53/16/562915316.db2.gz XJDIUCAMHVODIH-OAQYLSRUSA-N 1 0 503.478 3.991 1 0 KHAFRO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C2(c3ccccc3-c3ccccc32)C1=O ZINC000653848790 562915372 /nfs/dbraw/zinc/91/53/72/562915372.db2.gz QUGSVPBAOCMZGV-UHFFFAOYSA-N 1 0 538.648 3.950 1 0 KHAFRO COc1ccccc1Oc1cccc(N2CCCCC2)c1CNC(=[NH2+])NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653850793 562915516 /nfs/dbraw/zinc/91/55/16/562915516.db2.gz BGTYSTJDLLMUKE-QHCPKHFHSA-N 1 0 545.640 3.887 1 0 KHAFRO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3ccco3)CC2)C2(c3ccccc3-c3ccccc32)C1=O ZINC000653851609 562915589 /nfs/dbraw/zinc/91/55/89/562915589.db2.gz DHOBOUUYSAJDKO-UHFFFAOYSA-N 1 0 528.609 3.543 1 0 KHAFRO C[NH+]1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(=O)(=O)C4CCOCC4)c3n2)CC1 ZINC000653852002 562915577 /nfs/dbraw/zinc/91/55/77/562915577.db2.gz YDIDXPKIMIHSET-UHFFFAOYSA-N 1 0 508.566 3.831 1 0 KHAFRO CCc1cc(-c2noc(-c3cc(C[N@H+](C)CC(C)C)ccc3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653852788 562915593 /nfs/dbraw/zinc/91/55/93/562915593.db2.gz BIOWKMPEEDAFKL-DEOSSOPVSA-N 1 0 524.662 3.519 1 0 KHAFRO CN(C)C(=O)Oc1cccc(NC(=O)C2([NH+](C)C)CCN(c3ncnc4[nH]c5c(c43)CC(F)(F)CC5)CC2)c1 ZINC000653852833 562915605 /nfs/dbraw/zinc/91/56/05/562915605.db2.gz PUQNSBRQHFAIKU-UHFFFAOYSA-N 1 0 541.603 3.682 1 0 KHAFRO COCC[NH+]1CCN(c2ccc3c(c2)ncnc3Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)CC1 ZINC000653854517 562915676 /nfs/dbraw/zinc/91/56/76/562915676.db2.gz QLCYPZXKQOONPS-UHFFFAOYSA-N 1 0 517.634 3.667 1 0 KHAFRO CN(C)C(=O)Oc1cccc(NC(=O)C2(C[NH+](C)C)CCN(c3ncnc4[nH]c5c(c43)CCCC5)CC2)c1 ZINC000653856163 562915722 /nfs/dbraw/zinc/91/57/22/562915722.db2.gz AYRNUIDFFNFELA-UHFFFAOYSA-N 1 0 519.650 3.684 1 0 KHAFRO COc1ccc2cc3[n+](cc2c1OC(=O)N1CCN(c2ccccn2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653861773 562916030 /nfs/dbraw/zinc/91/60/30/562916030.db2.gz JHFTUQBHDQNJNS-UHFFFAOYSA-N 1 0 511.558 3.804 1 0 KHAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1 ZINC000653864110 562916150 /nfs/dbraw/zinc/91/61/50/562916150.db2.gz DGIKQZFVNNRZMT-UHFFFAOYSA-N 1 0 551.095 3.941 1 0 KHAFRO C=CC(=O)Nc1cccc(-n2c3ccncc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653865354 562916186 /nfs/dbraw/zinc/91/61/86/562916186.db2.gz PQXSTBFGBGZRFG-UHFFFAOYSA-N 1 0 520.601 3.714 1 0 KHAFRO C=CC(=O)Nc1cccc(-n2c3cnccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653865368 562916185 /nfs/dbraw/zinc/91/61/85/562916185.db2.gz UKGMIRAOUDJYLH-UHFFFAOYSA-N 1 0 520.601 3.714 1 0 KHAFRO COc1cc(-c2nn(CCN3CCC([NH+]4CCCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C ZINC000653866756 562916254 /nfs/dbraw/zinc/91/62/54/562916254.db2.gz RAJLVDVCHMUAEY-UHFFFAOYSA-N 1 0 536.681 3.991 1 0 KHAFRO C[NH+](C)C1CCN(CCn2nc(-c3ccc4c(ccn4C(=O)OC(C)(C)C)c3)c3c2ncnc3N)CC1 ZINC000653870766 562916418 /nfs/dbraw/zinc/91/64/18/562916418.db2.gz UUHWVPAZZAVYTB-UHFFFAOYSA-N 1 0 504.639 3.839 1 0 KHAFRO COCC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21 ZINC000653872504 562916424 /nfs/dbraw/zinc/91/64/24/562916424.db2.gz HPMVNXXVOVDOMU-RRPNLBNLSA-N 1 0 501.627 3.710 1 0 KHAFRO C=CC(=O)Nc1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CCN(C(=O)C[NH+](C)C)CC4)c3)cnc2N)c1 ZINC000653882144 562916741 /nfs/dbraw/zinc/91/67/41/562916741.db2.gz NFNSNATUTNQYFO-UHFFFAOYSA-N 1 0 590.692 3.778 1 0 KHAFRO C[NH+]1CCC(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)[C@H]2COC(=O)N2)CC1 ZINC000653882879 562916868 /nfs/dbraw/zinc/91/68/68/562916868.db2.gz QJNFLDOCYAZALV-OAQYLSRUSA-N 1 0 528.972 3.933 1 0 KHAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccccc1 ZINC000653887094 562917025 /nfs/dbraw/zinc/91/70/25/562917025.db2.gz LHQTYMGFWVDOLX-UHFFFAOYSA-N 1 0 542.688 3.681 1 0 KHAFRO Cc1cc(C(=O)N2CCN(C(=O)c3ccc(O[C@H]4CC[NH2+]C4)c(C4CCCCC4)c3)CC2)cc(N2CC[NH2+]CC2)c1 ZINC000653891088 562917204 /nfs/dbraw/zinc/91/72/04/562917204.db2.gz CNQORBBLURFEQW-LJAQVGFWSA-N 1 0 559.755 3.791 1 0 KHAFRO CCOC(=O)N1CCN(CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)CC1 ZINC000653895420 562917351 /nfs/dbraw/zinc/91/73/51/562917351.db2.gz HOLHPNVLGJYIAU-UHFFFAOYSA-N 1 0 520.606 3.631 1 0 KHAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(OCCOCCO)cc6)nc5c4)nc3c2)CC1 ZINC000653895738 562917391 /nfs/dbraw/zinc/91/73/91/562917391.db2.gz CJKHUKVPSVXFEG-UHFFFAOYSA-N 1 0 512.614 3.913 1 0 KHAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1 ZINC000653895799 562917382 /nfs/dbraw/zinc/91/73/82/562917382.db2.gz VWDNDBICKRVFCP-UHFFFAOYSA-N 1 0 500.651 3.722 1 0 KHAFRO Cc1nn(C2CC[NH+](CC(=O)N(C)C)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1 ZINC000653899261 562917460 /nfs/dbraw/zinc/91/74/60/562917460.db2.gz FDWQWRCUIAECJN-UHFFFAOYSA-N 1 0 508.030 3.727 1 0 KHAFRO C[NH+]1CCC(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC000653903363 562917551 /nfs/dbraw/zinc/91/75/51/562917551.db2.gz QJNFLDOCYAZALV-NRFANRHFSA-N 1 0 528.972 3.933 1 0 KHAFRO C[NH+](CCCN1C(=O)c2cccc3c(N4CC[C@H](O)C4)ccc(c32)C1=O)CCCN1C(=O)c2cccc3c(N4CC[C@H](O)C4)ccc(c32)C1=O ZINC000653905713 562917635 /nfs/dbraw/zinc/91/76/35/562917635.db2.gz BSTHFLWFXLYZKZ-DQEYMECFSA-N 1 0 675.786 3.739 1 0 KHAFRO C[NH+](CCCN1C(=O)c2cccc3c(N4CC[C@@H](O)C4)ccc(c32)C1=O)CCCN1C(=O)c2cccc3c(N4CC[C@@H](O)C4)ccc(c32)C1=O ZINC000653905714 562917621 /nfs/dbraw/zinc/91/76/21/562917621.db2.gz BSTHFLWFXLYZKZ-JWQCQUIFSA-N 1 0 675.786 3.739 1 0 KHAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(CCC(C)C)c3)n(C)c2)n(C)c1 ZINC000653912154 562917710 /nfs/dbraw/zinc/91/77/10/562917710.db2.gz IKMRETLVBDCPNR-UHFFFAOYSA-N 1 0 688.834 3.947 1 0 KHAFRO COc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCC[NH+]4CCC(C)CC4)n3)c(=O)oc21 ZINC000009590233 561709194 /nfs/dbraw/zinc/70/91/94/561709194.db2.gz NHALTPWAAWRZPH-UHFFFAOYSA-N 1 0 512.632 3.882 3 0 KHAFRO O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009616729 561709144 /nfs/dbraw/zinc/70/91/44/561709144.db2.gz XYTXFNCNPOAWMP-UHFFFAOYSA-N 1 0 528.628 3.912 3 0 KHAFRO CCCCCCNC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@H]2C)N1CC1CCC1 ZINC000017376933 561755159 /nfs/dbraw/zinc/75/51/59/561755159.db2.gz WJLYNOVQRCRKGU-PWMMPXSUSA-N 1 0 540.753 3.624 3 0 KHAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)N4CCNC4=O)c3)cc2C(F)(F)F)CC1 ZINC000022952939 561761279 /nfs/dbraw/zinc/76/12/79/561761279.db2.gz AZJMVUHGKDUETK-UHFFFAOYSA-N 1 0 532.567 3.961 3 0 KHAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)N4CCNC4=O)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952947 561761281 /nfs/dbraw/zinc/76/12/81/561761281.db2.gz QVMDPPRHVJFHAU-UHFFFAOYSA-N 1 0 548.566 3.661 3 0 KHAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4nccnc4N)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952979 561761250 /nfs/dbraw/zinc/76/12/50/561761250.db2.gz WTDGDCJLCLNSKQ-UHFFFAOYSA-N 1 0 557.577 3.728 3 0 KHAFRO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCCC3)C(=O)[C@@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000033356978 562037243 /nfs/dbraw/zinc/03/72/43/562037243.db2.gz VKXUOUCDXUKQAS-SNZKNPLMSA-N 1 0 569.146 3.856 3 0 KHAFRO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C(=O)OC)CCCC[N@H+]1[C@@H]2c1ccc(-c2ccc(C(C)=O)cc2)c(OC)c1 ZINC000036386521 562060120 /nfs/dbraw/zinc/06/01/20/562060120.db2.gz DXYKZXBROHEJHT-IKOOFXLXSA-N 1 0 504.583 3.638 3 0 KHAFRO CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)cc1 ZINC000038147245 562065419 /nfs/dbraw/zinc/06/54/19/562065419.db2.gz GQLMUCPBCNSBFY-UHFFFAOYSA-N 1 0 597.716 3.762 3 0 KHAFRO CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(CCC(C)C)CC[NH+](C)C ZINC000061902966 562702975 /nfs/dbraw/zinc/70/29/75/562702975.db2.gz POYARVSRAKTYAT-UHFFFAOYSA-N 1 0 514.696 3.935 3 0 KHAFRO COc1cccc(OC)c1OCC[NH+]1CCC(C(=O)N[C@@H](c2ccc3c(c2)OCO3)c2ccccn2)CC1 ZINC000061904368 562703049 /nfs/dbraw/zinc/70/30/49/562703049.db2.gz SXVZPZSKHTVKAS-MHZLTWQESA-N 1 0 519.598 3.824 3 0 KHAFRO COc1cccc(OC)c1OCC[NH+]1CCC(C(=O)N[C@H](c2ccc3c(c2)OCO3)c2ccccn2)CC1 ZINC000061904369 562703007 /nfs/dbraw/zinc/70/30/07/562703007.db2.gz SXVZPZSKHTVKAS-HHHXNRCGSA-N 1 0 519.598 3.824 3 0 KHAFRO CCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(CCC(C)C)CC[NH+](C)C ZINC000061905349 562703030 /nfs/dbraw/zinc/70/30/30/562703030.db2.gz OJQWRTSSYAJZMB-UHFFFAOYSA-N 1 0 508.667 3.502 3 0 KHAFRO COc1cc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)NCC[NH+](C)C)c4)cn23)cc(OC)c1OC ZINC000061908173 562703079 /nfs/dbraw/zinc/70/30/79/562703079.db2.gz UQZSUUYOFKMTNU-UHFFFAOYSA-N 1 0 517.586 3.554 3 0 KHAFRO CCN1C(=O)[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(OC)cc4)C3=O)[C@H]2C1=O ZINC000061921189 562703179 /nfs/dbraw/zinc/70/31/79/562703179.db2.gz GMMVVXPPFJBDMO-PIXQIBFHSA-N 1 0 515.532 3.541 3 0 KHAFRO CCN1C(=O)[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(F)cc4)C3=O)[C@H]2C1=O ZINC000061921190 562703192 /nfs/dbraw/zinc/70/31/92/562703192.db2.gz PVWGYBKKHGWASP-QTDDQOEGSA-N 1 0 503.496 3.671 3 0 KHAFRO CN1C(=O)[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(Cl)cc4)C3=O)[C@H]2C1=O ZINC000061921199 562703196 /nfs/dbraw/zinc/70/31/96/562703196.db2.gz PEPOMOHRKKQIKH-DBYOASNMSA-N 1 0 505.924 3.796 3 0 KHAFRO CCN1C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)[NH2+][C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]2C1=O ZINC000061921206 562703155 /nfs/dbraw/zinc/70/31/55/562703155.db2.gz MNOUOAFDPSBNCD-PIXQIBFHSA-N 1 0 515.532 3.541 3 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000061922561 562703356 /nfs/dbraw/zinc/70/33/56/562703356.db2.gz BDZXWMZQBJFLSO-UNVFRBQDSA-N 1 0 513.635 3.788 3 0 KHAFRO CC(=O)Nc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 ZINC000061927038 562703626 /nfs/dbraw/zinc/70/36/26/562703626.db2.gz FFYGFZTYBCQHEP-UHFFFAOYSA-N 1 0 503.628 3.782 3 0 KHAFRO COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)NCC[NH+](C)C)c4)cn23)cc1OC ZINC000061927251 562703635 /nfs/dbraw/zinc/70/36/35/562703635.db2.gz DRPPNCLGZPXCBP-UHFFFAOYSA-N 1 0 501.587 3.935 3 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000061945425 562703857 /nfs/dbraw/zinc/70/38/57/562703857.db2.gz YAZCQYURBLEIHO-MRJKTFCFSA-N 1 0 505.663 3.602 3 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000061945818 562703906 /nfs/dbraw/zinc/70/39/06/562703906.db2.gz YAZCQYURBLEIHO-SXDGJLEOSA-N 1 0 505.663 3.602 3 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000061946107 562703946 /nfs/dbraw/zinc/70/39/46/562703946.db2.gz YAZCQYURBLEIHO-IWHLBADBSA-N 1 0 505.663 3.602 3 0 KHAFRO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000061946962 562703988 /nfs/dbraw/zinc/70/39/88/562703988.db2.gz SWCWSQNJRHGEAB-KVXPRDAPSA-N 1 0 523.722 3.507 3 0 KHAFRO CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000061946963 562703973 /nfs/dbraw/zinc/70/39/73/562703973.db2.gz SWCWSQNJRHGEAB-DWJZLWSHSA-N 1 0 523.722 3.507 3 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000061947739 562704111 /nfs/dbraw/zinc/70/41/11/562704111.db2.gz IWDPLAYWOFNOIJ-LZCXECNNSA-N 1 0 508.663 3.953 3 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000061947769 562704129 /nfs/dbraw/zinc/70/41/29/562704129.db2.gz GQBJBCNAEKUCKM-LZCXECNNSA-N 1 0 502.615 3.686 3 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O ZINC000061947791 562704145 /nfs/dbraw/zinc/70/41/45/562704145.db2.gz UMCFIJQAKCUWET-NJNPRVFISA-N 1 0 522.568 3.715 3 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000061948282 562704182 /nfs/dbraw/zinc/70/41/82/562704182.db2.gz TVGXUMYQELELCU-LGVUCKNBSA-N 1 0 508.663 3.953 3 0 KHAFRO COc1ccc(OCC[NH+]2CCCC2)cc1Nc1nnc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 ZINC000061958558 562704319 /nfs/dbraw/zinc/70/43/19/562704319.db2.gz BEZLZGDPXVTGFN-UHFFFAOYSA-N 1 0 519.027 3.899 3 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C(C)C ZINC000061958562 562704298 /nfs/dbraw/zinc/70/42/98/562704298.db2.gz VIJIVCXRKDRGGA-UHFFFAOYSA-N 1 0 535.693 3.947 3 0 KHAFRO CCN1c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N(C2CCCC2)CCC1=O ZINC000061958563 562704306 /nfs/dbraw/zinc/70/43/06/562704306.db2.gz FUZWNBTVQCZRHI-UHFFFAOYSA-N 1 0 521.666 3.558 3 0 KHAFRO COC(=O)[C@@]12CCC[N@@H+]1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000061959659 562704348 /nfs/dbraw/zinc/70/43/48/562704348.db2.gz VEMWSQYWIYRHRZ-HULNYRCFSA-N 1 0 503.382 3.962 3 0 KHAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C ZINC000061969127 562704353 /nfs/dbraw/zinc/70/43/53/562704353.db2.gz LRDRLMCOSRRVKE-UHFFFAOYSA-N 1 0 521.666 3.558 3 0 KHAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)O3)cc1 ZINC000066124401 562712699 /nfs/dbraw/zinc/71/26/99/562712699.db2.gz CXWGTBZCKOOTHZ-DUELTEGESA-N 1 0 581.735 3.777 3 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000066124430 562712695 /nfs/dbraw/zinc/71/26/95/562712695.db2.gz RPGIBJKWWMWOCH-HIRWGAFWSA-N 1 0 561.639 3.806 3 0 KHAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(C)(=O)=O)cc2CC1=O ZINC000066129458 562712960 /nfs/dbraw/zinc/71/29/60/562712960.db2.gz VHEBRLFBVVIGEB-WOGXIUBCSA-N 1 0 558.528 3.646 3 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066129578 562713022 /nfs/dbraw/zinc/71/30/22/562713022.db2.gz RWKVSXVPVZVLCW-DKGMKSHISA-N 1 0 559.663 3.949 3 0 KHAFRO C[NH+](C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000066136503 562713176 /nfs/dbraw/zinc/71/31/76/562713176.db2.gz CRONFZHOGRTMTC-CERFGUIQSA-N 1 0 542.124 3.528 3 0 KHAFRO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4ccc(-c5ccco5)cc4[nH]c3[C@]12C ZINC000066139561 562713495 /nfs/dbraw/zinc/71/34/95/562713495.db2.gz MZEXVGNGNHNIBB-MXSNXVCKSA-N 1 0 561.727 3.990 3 0 KHAFRO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4ccc(CCC(=O)N(C)C)cc4[nH]c3[C@]12C)C(C)C ZINC000066148707 562713626 /nfs/dbraw/zinc/71/36/26/562713626.db2.gz VPGUMQGHFRCDDL-ZDMRONSHSA-N 1 0 622.855 3.528 3 0 KHAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000066167230 562714326 /nfs/dbraw/zinc/71/43/26/562714326.db2.gz GYFFHKZTXAXEFC-LWPQGVMLSA-N 1 0 609.745 3.806 3 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000070462931 562716385 /nfs/dbraw/zinc/71/63/85/562716385.db2.gz RTDBYDGQKCGXQZ-JVAFGIKQSA-N 1 0 573.115 3.888 3 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O ZINC000072102414 562720311 /nfs/dbraw/zinc/72/03/11/562720311.db2.gz KQLDLPDWVHVVHP-JLWZNRLGSA-N 1 0 619.781 3.714 3 0 KHAFRO CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@H](C(=O)N3CCOCC3)[C@@]12CCC1CCCC1 ZINC000072102786 562720310 /nfs/dbraw/zinc/72/03/10/562720310.db2.gz CUASLNKVNMUKPO-AIKCQAODSA-N 1 0 690.930 3.692 3 0 KHAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000072103345 562720354 /nfs/dbraw/zinc/72/03/54/562720354.db2.gz HXLMMAKDABIQQI-WISKXVKBSA-N 1 0 693.889 3.666 3 0 KHAFRO COc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000072104808 562720620 /nfs/dbraw/zinc/72/06/20/562720620.db2.gz ICIBFCZMGGOMIQ-ACXCVDCASA-N 1 0 509.606 3.702 3 0 KHAFRO Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072121318 562724223 /nfs/dbraw/zinc/72/42/23/562724223.db2.gz PTNAJIOJGFKPDR-WUBQMYJQSA-N 1 0 679.881 3.688 3 0 KHAFRO C[NH+](C)CCCNC(=O)C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000072121323 562724232 /nfs/dbraw/zinc/72/42/32/562724232.db2.gz GSNGPFZAWBRIIH-CNUHDZQFSA-N 1 0 591.797 3.671 3 0 KHAFRO C[NH+](C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000072121324 562724242 /nfs/dbraw/zinc/72/42/42/562724242.db2.gz GSNGPFZAWBRIIH-MCKSPXCPSA-N 1 0 591.797 3.671 3 0 KHAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000072121469 562724261 /nfs/dbraw/zinc/72/42/61/562724261.db2.gz CUSMSBFNEHNGNQ-IWHLBADBSA-N 1 0 521.662 3.727 3 0 KHAFRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)cc1 ZINC000072123582 562724742 /nfs/dbraw/zinc/72/47/42/562724742.db2.gz FKFQRDMXEJOUBO-UHFFFAOYSA-N 1 0 538.670 3.844 3 0 KHAFRO O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000072127066 562725689 /nfs/dbraw/zinc/72/56/89/562725689.db2.gz HLNYIAPJLJSOQM-QRIZJJBVSA-N 1 0 727.906 3.862 3 0 KHAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C(=O)C1=O ZINC000072128677 562726208 /nfs/dbraw/zinc/72/62/08/562726208.db2.gz YJKOWXLHJKNGLO-WNQXLSPZSA-N 1 0 643.873 3.763 3 0 KHAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000072133444 562726998 /nfs/dbraw/zinc/72/69/98/562726998.db2.gz CUSMSBFNEHNGNQ-MRJKTFCFSA-N 1 0 521.662 3.727 3 0 KHAFRO CN1C(=O)[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]2C1=O ZINC000072135895 562727667 /nfs/dbraw/zinc/72/76/67/562727667.db2.gz RISSEPMNTWBCNG-DBYOASNMSA-N 1 0 550.375 3.905 3 0 KHAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[NH+](C)C)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000072136154 562727793 /nfs/dbraw/zinc/72/77/93/562727793.db2.gz KOBSEJCZOFFUCJ-LZCXECNNSA-N 1 0 553.704 3.578 3 0 KHAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C(=O)C1=O ZINC000072136232 562727840 /nfs/dbraw/zinc/72/78/40/562727840.db2.gz ZCBWRLDBWSHWRH-WISKXVKBSA-N 1 0 693.889 3.666 3 0 KHAFRO 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