smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000001553545 561677514 /nfs/dbraw/zinc/67/75/14/561677514.db2.gz IXUZWSHXEGSFHV-UHFFFAOYSA-N 1 0 502.578 1.741 1 0 KDAFRO NC(=[NH2+])c1ccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC000001553546 561677540 /nfs/dbraw/zinc/67/75/40/561677540.db2.gz MAJIIRKQUNZNFF-UHFFFAOYSA-N 1 0 502.578 1.741 1 0 KDAFRO O=C(Nc1nc2ncn(CC[NH2+]CCn3cnc4nc(NC(=O)c5ccccc5)[nH]c(=O)c43)c2c(=O)[nH]1)c1ccccc1 ZINC000001626076 561677792 /nfs/dbraw/zinc/67/77/92/561677792.db2.gz YNUXYTTVCZRFEC-UHFFFAOYSA-N 1 0 579.581 1.347 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)CN2c3ccccc3CC[C@@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)cc1 ZINC000001909859 561680254 /nfs/dbraw/zinc/68/02/54/561680254.db2.gz OUINCMVZVKJNAI-HSZRJFAPSA-N 1 0 547.637 1.848 1 0 KDAFRO NS(=O)(=O)c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000002007473 560185454 /nfs/dbraw/zinc/18/54/54/560185454.db2.gz CVPJSQZQNBKALR-FQEVSTJZSA-N 1 0 505.618 1.707 1 0 in-vitro KDAFRO CC[N@@H+]1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]25C[C@@H](OC)[C@H]2C[C@]3(O)[C@@H]5[C@H]2OC)[C@@H]14 ZINC000002944341 560188469 /nfs/dbraw/zinc/18/84/69/560188469.db2.gz DTTPWCNKTMQMTE-OUWSDNHWSA-N 1 0 507.624 1.350 1 0 biogenic,in-vitro KDAFRO NC(=[NH2+])N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000003807296 561682675 /nfs/dbraw/zinc/68/26/75/561682675.db2.gz TUNIHBVUZHSPRR-RPBOFIJWSA-N 1 0 554.717 1.430 1 0 KDAFRO NC(=[NH2+])NCCCCSC[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000003807301 561682640 /nfs/dbraw/zinc/68/26/40/561682640.db2.gz GYNPTMLMIWOLAM-FPOVZHCZSA-N 1 0 507.682 1.466 1 0 KDAFRO NC(=[NH2+])c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000003807302 561682764 /nfs/dbraw/zinc/68/27/64/561682764.db2.gz UFMUGMUVNLIGTI-GMAHTHKFSA-N 1 0 523.615 1.184 1 0 KDAFRO CC1=CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3c(c2)CC[N@H+](C)CC3)[C@@H](C(=O)[O-])C1 ZINC000003807362 561682733 /nfs/dbraw/zinc/68/27/33/561682733.db2.gz IHVKPFGIURRDRJ-LOSJGSFVSA-N 1 0 553.685 1.522 1 0 KDAFRO CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2CCC(CCO)CC2)C1 ZINC000003814156 561682860 /nfs/dbraw/zinc/68/28/60/561682860.db2.gz KKYOZZAUCIMAQW-IBGZPJMESA-N 1 0 508.689 1.212 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000003818000 561683120 /nfs/dbraw/zinc/68/31/20/561683120.db2.gz BHPZMFXUQRHXSO-HSZRJFAPSA-N 1 0 507.616 1.434 1 0 in-vitro KDAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1 ZINC000003826238 561683364 /nfs/dbraw/zinc/68/33/64/561683364.db2.gz JUXMZLORUUNNIS-JOCHJYFZSA-N 1 0 515.680 1.952 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN1C(=O)CN(CCCc2ccccc2)C(=O)[C@@H]1Cc1ccccc1)C(=O)c1nccs1 ZINC000003832051 561683538 /nfs/dbraw/zinc/68/35/38/561683538.db2.gz KWERQAONXGOPNU-DQEYMECFSA-N 1 0 603.749 1.989 1 0 KDAFRO NC(=[NH2+])N1CCC([C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)CC1 ZINC000003832107 561683547 /nfs/dbraw/zinc/68/35/47/561683547.db2.gz SVBUAEXAYRUCTC-HFMPRLQTSA-N 1 0 565.700 1.251 1 0 KDAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1cccc(C(N)=[NH2+])c1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000003834116 561683593 /nfs/dbraw/zinc/68/35/93/561683593.db2.gz MOQBPFLLJRPCEX-QHCPKHFHSA-N 1 0 586.740 1.183 1 0 KDAFRO CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000003834117 561683637 /nfs/dbraw/zinc/68/36/37/561683637.db2.gz VXHOIUCHSWQRDN-QFIPXVFZSA-N 1 0 549.719 1.262 1 0 KDAFRO Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2 ZINC000003834175 561683737 /nfs/dbraw/zinc/68/37/37/561683737.db2.gz ONUNOWVVELQNRN-DEOSSOPVSA-N 1 0 619.810 1.993 1 0 KDAFRO Cn1c2nc3nc(NCCC[NH+]4CCN(c5ccccc5)CC4)c(Br)cn3c2c(=O)n(C)c1=O ZINC000003838264 561683750 /nfs/dbraw/zinc/68/37/50/561683750.db2.gz ODQOBVAPJLPYJD-UHFFFAOYSA-N 1 0 527.427 1.667 1 0 KDAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000003914830 561684569 /nfs/dbraw/zinc/68/45/69/561684569.db2.gz AYCYZZNXUWCCBA-ASDGIDEWSA-N 1 0 581.714 1.624 1 0 KDAFRO C=C(Cl)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)n(C)c1 ZINC000003917834 561685309 /nfs/dbraw/zinc/68/53/09/561685309.db2.gz CBGSUOJOYRHQIT-UHFFFAOYSA-N 1 0 542.000 1.954 1 0 KDAFRO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000003920094 561685683 /nfs/dbraw/zinc/68/56/83/561685683.db2.gz BZCJAFFUHZRXMP-VFFRCKCKSA-N 1 0 707.964 1.327 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CC[NH3+])C2 ZINC000003923127 561686000 /nfs/dbraw/zinc/68/60/00/561686000.db2.gz HRJSXSSUQRUMKA-VNHOOUBUSA-N 1 0 601.814 1.706 1 0 KDAFRO COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=[NH+]CCN3)cc2)c(C)c1 ZINC000003928767 561687031 /nfs/dbraw/zinc/68/70/31/561687031.db2.gz AMTQCENHQIDBHQ-UHFFFAOYSA-N 1 0 502.637 1.958 1 0 in-man KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cncc(Br)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000003931574 561687683 /nfs/dbraw/zinc/68/76/83/561687683.db2.gz MQXKPURKGLZHIO-SDHOMARFSA-N 1 0 657.614 1.874 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(=O)c2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000003931578 561687668 /nfs/dbraw/zinc/68/76/68/561687668.db2.gz TXWJMOUHBYMVSM-GSDHBNRESA-N 1 0 645.761 1.823 1 0 KDAFRO NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000003938672 561688899 /nfs/dbraw/zinc/68/88/99/561688899.db2.gz PFKVNFAOBMPXFV-CHQNGUEUSA-N 1 0 723.831 1.723 1 0 KDAFRO COC(=O)C[C@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000003941218 561689323 /nfs/dbraw/zinc/68/93/23/561689323.db2.gz LAUGVCLUYPMNEP-DEOSSOPVSA-N 1 0 537.558 1.140 1 0 KDAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000003941219 561689321 /nfs/dbraw/zinc/68/93/21/561689321.db2.gz ZBAFGDZBJMAQPN-VWLOTQADSA-N 1 0 536.570 1.745 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@](O)(CO)C(C)(C)C ZINC000003943929 561689662 /nfs/dbraw/zinc/68/96/62/561689662.db2.gz JDEIKUBOCBLEIF-YPGOOEOSSA-N 1 0 587.758 1.931 1 0 KDAFRO NC(=[NH2+])N1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H](O)C[C@@H]3N2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](O)Cc2ccccc2)C1 ZINC000003952509 561690560 /nfs/dbraw/zinc/69/05/60/561690560.db2.gz YNAKQOCSOOKXJP-VCNFNBSBSA-N 1 0 616.763 1.090 1 0 in-vivo KDAFRO CC[C@H]([NH2+]C[C@@H]1Cc2cccc(c2)OCCNC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000003962489 561691135 /nfs/dbraw/zinc/69/11/35/561691135.db2.gz YORBZAOAAOMNJG-OZXSUGGESA-N 1 0 587.743 1.686 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)cc1 ZINC000003964832 561691457 /nfs/dbraw/zinc/69/14/57/561691457.db2.gz OUINCMVZVKJNAI-QHCPKHFHSA-N 1 0 547.637 1.848 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1cccc2ccccc21)C(=O)c1nc2ccccc2s1 ZINC000003979585 561692285 /nfs/dbraw/zinc/69/22/85/561692285.db2.gz WMRKAKWLHJNCKA-HJOGWXRNSA-N 1 0 665.798 1.711 1 0 KDAFRO NC(=[NH2+])c1cccc(C2=NO[C@](Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000003985460 561692756 /nfs/dbraw/zinc/69/27/56/561692756.db2.gz FJIBYMWCVCRSIO-RUZDIDTESA-N 1 0 545.585 1.474 1 0 KDAFRO CCOC(=O)CC[C@H](NC(=O)c1ccc(N2CCN(c3c(C)[nH+]c(N)nc3N)CC2)cc1)C(=O)OCC ZINC000005543469 561696472 /nfs/dbraw/zinc/69/64/72/561696472.db2.gz WVSLQHBCGPJMOC-IBGZPJMESA-N 1 0 513.599 1.281 1 0 KDAFRO COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCCCNC(N)=[NH2+])=NO2 ZINC000005955255 561700515 /nfs/dbraw/zinc/70/05/15/561700515.db2.gz GCYSDIFCRYTRFB-XJKSGUPXSA-N 1 0 509.199 1.177 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](O)c1cccc(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000006716469 561702924 /nfs/dbraw/zinc/70/29/24/561702924.db2.gz MVCIZAJAEQZGMJ-YESZJQIVSA-N 1 0 509.032 1.602 1 0 KDAFRO CN1CCN(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=CS(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 ZINC000006812386 561703211 /nfs/dbraw/zinc/70/32/11/561703211.db2.gz QLVPCZICLZOVOF-GQCXWPLSSA-N 1 0 583.759 1.680 1 0 in-vitro KDAFRO CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)CN2C1=O ZINC000008035430 561704403 /nfs/dbraw/zinc/70/44/03/561704403.db2.gz YJUGYRAWLRIQHU-CJJAAZIJSA-N 1 0 521.618 1.106 1 0 KDAFRO Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](C[C@@H]2NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C3(C)C)CC1 ZINC000008582292 561705660 /nfs/dbraw/zinc/70/56/60/561705660.db2.gz MWIASLNTAGRGGA-HPJLMOCUSA-N 1 0 554.779 1.520 1 0 KDAFRO CCOC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000011325838 561709510 /nfs/dbraw/zinc/70/95/10/561709510.db2.gz VEBJTQSPLROLQI-ZZTDLJEGSA-N 1 0 500.681 1.242 1 0 KDAFRO O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2cn(CC[NH+]3CCCCC3)c3ccccc23)[C@H](O)[C@@H]1O ZINC000012405746 561710765 /nfs/dbraw/zinc/71/07/65/561710765.db2.gz LQFAEGMDAWKIMD-YRIIQKNPSA-N 1 0 574.686 1.819 1 0 KDAFRO O=C(NC1CC1)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2cn(CC[NH+]3CCCC3)c3ccccc23)[C@H](O)[C@@H]1O ZINC000012405747 561710745 /nfs/dbraw/zinc/71/07/45/561710745.db2.gz ZXOHLUVTWXSWHF-APSVEGKFSA-N 1 0 560.659 1.429 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012504151 561711090 /nfs/dbraw/zinc/71/10/90/561711090.db2.gz ZUWBXGHMVKDMQO-XMMPIXPASA-N 1 0 507.616 1.704 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012504152 561711083 /nfs/dbraw/zinc/71/10/83/561711083.db2.gz ZUWBXGHMVKDMQO-DEOSSOPVSA-N 1 0 507.616 1.704 1 0 in-vivo KDAFRO C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=[NH2+])C1 ZINC000013436184 561711853 /nfs/dbraw/zinc/71/18/53/561711853.db2.gz NWNWLQLYJUEFHL-YYWHXJBOSA-N 1 0 514.652 1.219 1 0 KDAFRO NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000013436215 561711856 /nfs/dbraw/zinc/71/18/56/561711856.db2.gz NEOKRLIESSUWLL-PKTZIBPZSA-N 1 0 508.623 1.895 1 0 KDAFRO Nc1[nH]c(CCNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)c[nH+]1 ZINC000013440685 561712679 /nfs/dbraw/zinc/71/26/79/561712679.db2.gz UWMMBRZBKZEVFH-VXKWHMMOSA-N 1 0 522.631 1.445 1 0 KDAFRO COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(N)=[NH2+])cc3Cl)c2=O)c1 ZINC000013440727 561712684 /nfs/dbraw/zinc/71/26/84/561712684.db2.gz MTPIBEHXUUEJRW-UHFFFAOYSA-N 1 0 503.968 1.912 1 0 KDAFRO NC(=[NH2+])c1cccc(/C(=C\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)Cn2cnnn2)c1 ZINC000013442359 561712871 /nfs/dbraw/zinc/71/28/71/561712871.db2.gz IUBLNMZITYHCOA-UYRXBGFRSA-N 1 0 502.560 1.994 1 0 KDAFRO NC(=[NH2+])c1cccc(/C(=C\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)Cn2ncnn2)c1 ZINC000013442361 561712872 /nfs/dbraw/zinc/71/28/72/561712872.db2.gz BZKXBJXYNJLPTQ-UYRXBGFRSA-N 1 0 502.560 1.994 1 0 KDAFRO COC(=O)CN(CCOc1cccc(C(N)=[NH2+])c1)C(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000013442912 561712953 /nfs/dbraw/zinc/71/29/53/561712953.db2.gz CIDDOCATHPFOJX-UHFFFAOYSA-N 1 0 510.572 1.979 1 0 KDAFRO [NH3+]CCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CN1c2ccccc2S(=O)(=O)CCC1=O ZINC000013470205 561713796 /nfs/dbraw/zinc/71/37/96/561713796.db2.gz KWLYEZAWCGUCIV-OAQYLSRUSA-N 1 0 508.600 1.153 1 0 KDAFRO [NH3+]CCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCN1c2ccccc2S(=O)(=O)CCC1=O ZINC000013470206 561713740 /nfs/dbraw/zinc/71/37/40/561713740.db2.gz OMORNMWFAUNOBZ-JOCHJYFZSA-N 1 0 522.627 1.543 1 0 KDAFRO Cc1cc(C(F)(F)F)c(N)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NCC[NH+](C)C ZINC000013486978 561715024 /nfs/dbraw/zinc/71/50/24/561715024.db2.gz CEMXDUNWVHQQPB-UHFFFAOYSA-N 1 0 517.936 1.784 1 0 KDAFRO NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]c3ccccc23)NC=O)CC[NH2+]CC1 ZINC000013493970 561716683 /nfs/dbraw/zinc/71/66/83/561716683.db2.gz PFJXRSKIAGAAGG-JWQCQUIFSA-N 1 0 515.618 1.188 1 0 KDAFRO CC(=[NH2+])N1CCC(Oc2ccc(C(=O)NCCOc3cc(C(N)=[NH2+])ccc3CC(=O)C(=O)[O-])cc2)CC1 ZINC000013518266 561716925 /nfs/dbraw/zinc/71/69/25/561716925.db2.gz FHFSPTIZGMTHQV-UHFFFAOYSA-N 1 0 509.563 1.816 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCN3CCOCC3)nc(Cl)c2-c2ccccc2)cc1 ZINC000013527056 561717304 /nfs/dbraw/zinc/71/73/04/561717304.db2.gz PLUQVRVSRRXWFJ-UHFFFAOYSA-N 1 0 524.025 1.908 1 0 KDAFRO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)COc3cccc4[nH]c(=O)[nH]c43)CC2)cc1OC ZINC000013534450 561717778 /nfs/dbraw/zinc/71/77/78/561717778.db2.gz QLLHNAFICOTLDD-INIZCTEOSA-N 1 0 506.581 1.056 1 0 KDAFRO O=c1[nH]c2cccc(OC[C@@H](O)C[NH2+]C3CCN(S(=O)(=O)c4cccc5nsnc54)CC3)c2[nH]1 ZINC000013534454 561717765 /nfs/dbraw/zinc/71/77/65/561717765.db2.gz BQXXTJFRZLJTJP-AWEZNQCLSA-N 1 0 504.594 1.044 1 0 KDAFRO CCCCOc1ccc(S(=O)(=O)N2CC([NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)C2)cc1 ZINC000013534467 561717874 /nfs/dbraw/zinc/71/78/74/561717874.db2.gz OFVSLLMGVJGWPD-QFIPXVFZSA-N 1 0 513.638 1.639 1 0 KDAFRO COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)NCCC(N)=[NH2+])n(C)c1)N=C[C@@H]1CCCN1C2=O ZINC000013557590 561718876 /nfs/dbraw/zinc/71/88/76/561718876.db2.gz XXFIRANJKLETMU-INIZCTEOSA-N 1 0 509.567 1.818 1 0 KDAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)CCC[NH3+])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000013560679 561719881 /nfs/dbraw/zinc/71/98/81/561719881.db2.gz JOVCSPKYCKERLN-QWIYEXKTSA-N 1 0 520.560 1.382 1 0 KDAFRO NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[NH2+]CC2 ZINC000013584086 561720308 /nfs/dbraw/zinc/72/03/08/561720308.db2.gz JSEVGBVOCJPOML-SFHVURJKSA-N 1 0 520.036 1.596 1 0 KDAFRO NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[NH2+]CC2 ZINC000013584088 561720310 /nfs/dbraw/zinc/72/03/10/561720310.db2.gz JSEVGBVOCJPOML-GOSISDBHSA-N 1 0 520.036 1.596 1 0 KDAFRO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[C@H]2CN(c3nc4nc(-c5ccco5)nn4c(N)n3)CCN2C1 ZINC000013585867 561720405 /nfs/dbraw/zinc/72/04/05/561720405.db2.gz VLARWIPUMWYZST-CVEARBPZSA-N 1 0 512.022 1.747 1 0 KDAFRO O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(C(=O)N4CC[NH2+]CC4)s3)n[nH]c1-2)NN1CCOCC1 ZINC000013588761 561721254 /nfs/dbraw/zinc/72/12/54/561721254.db2.gz WYEKJPYMYWLHSC-UHFFFAOYSA-N 1 0 507.576 1.764 1 0 KDAFRO [NH3+][C@@H]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000013588763 561721128 /nfs/dbraw/zinc/72/11/28/561721128.db2.gz XHOZHDMEOYMHGW-CYBMUJFWSA-N 1 0 507.576 1.892 1 0 KDAFRO [NH3+][C@H]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000013588764 561721205 /nfs/dbraw/zinc/72/12/05/561721205.db2.gz XHOZHDMEOYMHGW-ZDUSSCGKSA-N 1 0 507.576 1.892 1 0 KDAFRO CN(C)S(=O)(=O)Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CC[NH3+])c4c3)CC2)cc1 ZINC000013743220 561726339 /nfs/dbraw/zinc/72/63/39/561726339.db2.gz SDKDZOOCFHSGBM-UHFFFAOYSA-N 1 0 500.625 1.615 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+])C(=O)[O-] ZINC000013761913 561728101 /nfs/dbraw/zinc/72/81/01/561728101.db2.gz PYEQQXLFXPQGII-FKBYEOEOSA-N 1 0 529.723 1.162 1 0 KDAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1 ZINC000013765414 561728403 /nfs/dbraw/zinc/72/84/03/561728403.db2.gz SVQXGJDWUSQUPO-XMMPIXPASA-N 1 0 509.632 1.150 1 0 KDAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1 ZINC000013765416 561728417 /nfs/dbraw/zinc/72/84/17/561728417.db2.gz SVQXGJDWUSQUPO-DEOSSOPVSA-N 1 0 509.632 1.150 1 0 KDAFRO COC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013765422 561728386 /nfs/dbraw/zinc/72/83/86/561728386.db2.gz XITXJWXDVLVJHN-HSZRJFAPSA-N 1 0 523.615 1.924 1 0 KDAFRO COC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013765425 561728405 /nfs/dbraw/zinc/72/84/05/561728405.db2.gz XITXJWXDVLVJHN-QHCPKHFHSA-N 1 0 523.615 1.924 1 0 KDAFRO CN(C)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)C(C)(C)[NH3+])CC2 ZINC000013780694 561729202 /nfs/dbraw/zinc/72/92/02/561729202.db2.gz UVZGENPINSBRCI-HSZRJFAPSA-N 1 0 511.648 1.768 1 0 KDAFRO CNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013782870 561729849 /nfs/dbraw/zinc/72/98/49/561729849.db2.gz TYMQNVQSZHECHF-DEOSSOPVSA-N 1 0 521.643 1.998 1 0 KDAFRO CNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000013782878 561729838 /nfs/dbraw/zinc/72/98/38/561729838.db2.gz NNWWDZVDNSRIDE-UPVQGACJSA-N 1 0 521.643 1.998 1 0 KDAFRO COC[C@@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799343 561730427 /nfs/dbraw/zinc/73/04/27/561730427.db2.gz JQGBWYNJNSRMPN-HSZRJFAPSA-N 1 0 509.548 1.223 1 0 KDAFRO COC[C@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799347 561730445 /nfs/dbraw/zinc/73/04/45/561730445.db2.gz JQGBWYNJNSRMPN-QHCPKHFHSA-N 1 0 509.548 1.223 1 0 KDAFRO CCOC[C@@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799351 561730404 /nfs/dbraw/zinc/73/04/04/561730404.db2.gz CAVVVGRCMBUNHS-XMMPIXPASA-N 1 0 523.575 1.613 1 0 KDAFRO CCOC[C@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799354 561730444 /nfs/dbraw/zinc/73/04/44/561730444.db2.gz CAVVVGRCMBUNHS-DEOSSOPVSA-N 1 0 523.575 1.613 1 0 KDAFRO COC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799361 561730409 /nfs/dbraw/zinc/73/04/09/561730409.db2.gz DEKNGEPVVQKQJB-XMMPIXPASA-N 1 0 508.560 1.828 1 0 KDAFRO COC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799364 561730388 /nfs/dbraw/zinc/73/03/88/561730388.db2.gz DEKNGEPVVQKQJB-DEOSSOPVSA-N 1 0 508.560 1.828 1 0 KDAFRO COc1ccc2ccc(S(=O)(=O)N(CC(N)=O)[C@H]3CCN(Cc4cccc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000013800286 561730549 /nfs/dbraw/zinc/73/05/49/561730549.db2.gz PGISICCZCCKRDY-QFIPXVFZSA-N 1 0 509.588 1.410 1 0 KDAFRO COc1ccc2ccc(S(=O)(=O)N(CCC(N)=O)[C@H]3CCN(Cc4cccc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000013800289 561730541 /nfs/dbraw/zinc/73/05/41/561730541.db2.gz HTCFCAJBGNVBRU-QHCPKHFHSA-N 1 0 523.615 1.800 1 0 KDAFRO CCCOc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000013818355 561732374 /nfs/dbraw/zinc/73/23/74/561732374.db2.gz VASZTWPERWJCNH-UHFFFAOYSA-N 1 0 520.656 1.717 1 0 KDAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)C(CO)CO)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000013827892 561733111 /nfs/dbraw/zinc/73/31/11/561733111.db2.gz UKWTWPDMMZHDOU-GPSVJYLHSA-N 1 0 515.559 1.832 1 0 KDAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)C(CO)CO)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000013827894 561733168 /nfs/dbraw/zinc/73/31/68/561733168.db2.gz UKWTWPDMMZHDOU-LPDOIZGMSA-N 1 0 515.559 1.832 1 0 KDAFRO NS(=O)(=O)c1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)COc2cccc3ccccc32)ccc1Cl ZINC000013861211 561734571 /nfs/dbraw/zinc/73/45/71/561734571.db2.gz JRLBCEKFJIVBLT-MRXNPFEDSA-N 1 0 514.025 1.448 1 0 KDAFRO NS(=O)(=O)c1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)COc2cccc3ccccc32)ccc1Cl ZINC000013861212 561734627 /nfs/dbraw/zinc/73/46/27/561734627.db2.gz JRLBCEKFJIVBLT-INIZCTEOSA-N 1 0 514.025 1.448 1 0 KDAFRO NC(=[NH2+])c1cccc(C2=NO[C@@](Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000014096406 561736524 /nfs/dbraw/zinc/73/65/24/561736524.db2.gz FJIBYMWCVCRSIO-VWLOTQADSA-N 1 0 545.585 1.474 1 0 KDAFRO COC(=O)C[C@@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000014114506 561736719 /nfs/dbraw/zinc/73/67/19/561736719.db2.gz LAUGVCLUYPMNEP-XMMPIXPASA-N 1 0 537.558 1.140 1 0 KDAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000014114511 561736661 /nfs/dbraw/zinc/73/66/61/561736661.db2.gz ZBAFGDZBJMAQPN-RUZDIDTESA-N 1 0 536.570 1.745 1 0 KDAFRO CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2C(N)=O)c1 ZINC000014210009 561737835 /nfs/dbraw/zinc/73/78/35/561737835.db2.gz DLICFJVDLAKPLE-MRXNPFEDSA-N 1 0 575.674 1.540 1 0 KDAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000014945939 561743458 /nfs/dbraw/zinc/74/34/58/561743458.db2.gz HQJDPWUHNHPHKG-CQJMVLFOSA-N 1 0 517.630 1.741 1 0 KDAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000014945940 561743485 /nfs/dbraw/zinc/74/34/85/561743485.db2.gz NSODVOFWHFOGLP-FWEHEUNISA-N 1 0 531.657 1.611 1 0 KDAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000014945941 561743481 /nfs/dbraw/zinc/74/34/81/561743481.db2.gz NSODVOFWHFOGLP-XUJYPJAKSA-N 1 0 531.657 1.611 1 0 KDAFRO CC(C)N(CC[NH3+])C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950067 561745428 /nfs/dbraw/zinc/74/54/28/561745428.db2.gz BANMLSXRXUYSKE-KKSFZXQISA-N 1 0 538.070 1.154 1 0 KDAFRO COC(=O)COc1ccc(C(N)=[NH2+])cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O ZINC000014952232 561746288 /nfs/dbraw/zinc/74/62/88/561746288.db2.gz HHGGWCFPUIXQJD-QFIPXVFZSA-N 1 0 540.598 1.764 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)c1nc2ccccc2s1 ZINC000014954777 561747272 /nfs/dbraw/zinc/74/72/72/561747272.db2.gz MDBXQFDKFPPSHT-VXKWHMMOSA-N 1 0 613.766 1.728 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(N[C@@H]3CCS(=O)(=O)C3)nc(Cl)c2-c2ccccc2)cc1 ZINC000014955933 561747484 /nfs/dbraw/zinc/74/74/84/561747484.db2.gz JGPRCWNEFRODOA-GOSISDBHSA-N 1 0 529.022 1.763 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(N[C@H]3CCS(=O)(=O)C3)nc(Cl)c2-c2ccccc2)cc1 ZINC000014955937 561747475 /nfs/dbraw/zinc/74/74/75/561747475.db2.gz JGPRCWNEFRODOA-SFHVURJKSA-N 1 0 529.022 1.763 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 ZINC000014959575 561748213 /nfs/dbraw/zinc/74/82/13/561748213.db2.gz RPFGAQYAKUEJHQ-BNAHVLAZSA-N 1 0 545.725 1.502 1 0 KDAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC/C=C/CS[C@@H]2C[NH2+]CC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000014960565 561748430 /nfs/dbraw/zinc/74/84/30/561748430.db2.gz LDEJWKJPGCUIHM-NFXSCPKSSA-N 1 0 514.758 1.294 1 0 KDAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC/C=C/CS[C@H]2C[NH2+]CC[C@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000014960569 561748469 /nfs/dbraw/zinc/74/84/69/561748469.db2.gz LDEJWKJPGCUIHM-PXEGCOJBSA-N 1 0 514.758 1.294 1 0 KDAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC/C=C/CS[C@@H]2CCC[NH2+][C@@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000014960573 561748438 /nfs/dbraw/zinc/74/84/38/561748438.db2.gz FIWCVIADXWJIGF-XTUAZRNNSA-N 1 0 514.758 1.436 1 0 KDAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC/C=C/CS[C@H]2CCC[NH2+][C@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000014960577 561748475 /nfs/dbraw/zinc/74/84/75/561748475.db2.gz FIWCVIADXWJIGF-NFXSCPKSSA-N 1 0 514.758 1.436 1 0 in-vitro KDAFRO COC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000014961875 561748568 /nfs/dbraw/zinc/74/85/68/561748568.db2.gz PERYOEDVWFOENR-XGARDCMYSA-N 1 0 503.669 1.884 1 0 KDAFRO CC[C@H]([NH2+]C[C@H]1Cc2cccc(c2)OCCNC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961964 561748582 /nfs/dbraw/zinc/74/85/82/561748582.db2.gz YORBZAOAAOMNJG-BVAGGSTKSA-N 1 0 587.743 1.686 1 0 KDAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)CO)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966441 561750021 /nfs/dbraw/zinc/75/00/21/561750021.db2.gz AHPZPEPKIIZAJI-VWLOTQADSA-N 1 0 512.517 1.898 1 0 KDAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)CO)C(=O)[C@@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966445 561749973 /nfs/dbraw/zinc/74/99/73/561749973.db2.gz AHPZPEPKIIZAJI-RUZDIDTESA-N 1 0 512.517 1.898 1 0 KDAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)C(C)C)ccc1OC ZINC000014967571 561750110 /nfs/dbraw/zinc/75/01/10/561750110.db2.gz WEVLVLUAUKPEDA-DNZIZEQUSA-N 1 0 585.808 1.876 1 0 KDAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@@H](CO)C(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014967673 561750205 /nfs/dbraw/zinc/75/02/05/561750205.db2.gz BFBDPNGVPQELRG-LSBAASHUSA-N 1 0 539.714 1.628 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCc1cccc(O)c1 ZINC000014977513 561752369 /nfs/dbraw/zinc/75/23/69/561752369.db2.gz JMKGUEVCWGAJAZ-OAQYLSRUSA-N 1 0 511.583 1.459 1 0 KDAFRO NC([NH3+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000019322646 561758316 /nfs/dbraw/zinc/75/83/16/561758316.db2.gz FCNOYFKCLVAMSK-XMMPIXPASA-N 1 0 523.659 1.774 1 0 KDAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cc3c(cc2c1CN1CC[NH+](C)CC1)OCO3 ZINC000022442459 561759116 /nfs/dbraw/zinc/75/91/16/561759116.db2.gz HMYGIAFIUNLLIK-MHZLTWQESA-N 1 0 504.543 1.556 1 0 KDAFRO Cc1ccc(S(=O)(=O)N2CCN(CC[NH+](C)CCN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 ZINC000022864055 561759533 /nfs/dbraw/zinc/75/95/33/561759533.db2.gz CJGDENRFUJLWPJ-UHFFFAOYSA-N 1 0 563.790 1.548 1 0 KDAFRO CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC[NH+]1CCN(CCO)CC1)CCCC3)C(=O)N2 ZINC000022932330 561760197 /nfs/dbraw/zinc/76/01/97/561760197.db2.gz WWSWQMMEPXHAON-NKFKGCMQSA-N 1 0 527.691 1.837 1 0 KDAFRO [NH3+]CCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 ZINC000022940154 561760832 /nfs/dbraw/zinc/76/08/32/561760832.db2.gz BMFWWGQJIXNFNW-UHFFFAOYSA-N 1 0 513.602 1.818 1 0 KDAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3CCOCC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357737 561761619 /nfs/dbraw/zinc/76/16/19/561761619.db2.gz CDPHXFOTSPZQDA-MUPNWXRXSA-N 1 0 636.856 1.976 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(C)(C)C)C(=O)[O-] ZINC000025966293 561763129 /nfs/dbraw/zinc/76/31/29/561763129.db2.gz MEOLJNZRWYJYQU-FWWXEKRMSA-N 1 0 655.841 1.789 1 0 KDAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=[NH2+])NN)s1)C(c1ccccc1)c1ccccc1 ZINC000025971856 561763283 /nfs/dbraw/zinc/76/32/83/561763283.db2.gz USJGWEUTGWIYFM-XUZZJYLKSA-N 1 0 568.725 1.894 1 0 KDAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(C(=[NH2+])NN)c1)C(c1ccccc1)c1ccccc1 ZINC000025972577 561763408 /nfs/dbraw/zinc/76/34/08/561763408.db2.gz JKSINGQSEHHBRE-XUZZJYLKSA-N 1 0 568.725 1.894 1 0 KDAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(C(=[NH2+])NN)cs1)C(c1ccccc1)c1ccccc1 ZINC000025975382 561763514 /nfs/dbraw/zinc/76/35/14/561763514.db2.gz BNTOZARIFVQNCD-LADGPHEKSA-N 1 0 568.725 1.894 1 0 KDAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[NH3+])nc1)C(c1ccccc1)c1ccccc1 ZINC000025975867 561763468 /nfs/dbraw/zinc/76/34/68/561763468.db2.gz PDQQHLCNDQIUPL-AZGAKELHSA-N 1 0 535.670 1.897 1 0 KDAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=[NH2+])NN)cc1)C(c1ccccc1)c1ccccc1 ZINC000025979813 561763848 /nfs/dbraw/zinc/76/38/48/561763848.db2.gz YYPOIMPOOOIGKK-AZGAKELHSA-N 1 0 562.696 1.832 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000025988301 561764415 /nfs/dbraw/zinc/76/44/15/561764415.db2.gz AZPIPGJWKAFFJL-BCAOEVRMSA-N 1 0 632.803 1.013 1 0 KDAFRO CN(C)C(=[NH2+])CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cn1C ZINC000025999369 561765246 /nfs/dbraw/zinc/76/52/46/561765246.db2.gz KLUKGELGROGVHJ-UHFFFAOYSA-N 1 0 509.571 1.434 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCCc2cccc3ccccc32)CC1 ZINC000026145334 561767034 /nfs/dbraw/zinc/76/70/34/561767034.db2.gz XAEJAXYIYMXYAT-AREMUKBSSA-N 1 0 550.685 1.392 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCCc2cccc3ccccc32)CC1 ZINC000026145342 561766998 /nfs/dbraw/zinc/76/69/98/561766998.db2.gz XAEJAXYIYMXYAT-SANMLTNESA-N 1 0 550.685 1.392 1 0 KDAFRO NC(=O)CC[C@H]([NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000026162960 561768711 /nfs/dbraw/zinc/76/87/11/561768711.db2.gz AHJZCPKCOCDILL-IARZGTGTSA-N 1 0 597.672 1.771 1 0 KDAFRO CCOC(=O)[C@H](CCC(=O)N1CCC2(CCN(c3ccc(C(=[NH2+])NO)cc3)C2=O)CC1)NS(=O)(=O)c1c(C)noc1C ZINC000026168480 561769614 /nfs/dbraw/zinc/76/96/14/561769614.db2.gz IIBMCOINGWHHDF-NRFANRHFSA-N 1 0 604.686 1.632 1 0 KDAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]2CC(N)=O)cc1 ZINC000026174371 561770650 /nfs/dbraw/zinc/77/06/50/561770650.db2.gz PSNSLGQPNFVUHU-FQEVSTJZSA-N 1 0 543.049 1.904 1 0 KDAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2CC(N)=O)cc1 ZINC000026174376 561770627 /nfs/dbraw/zinc/77/06/27/561770627.db2.gz PSNSLGQPNFVUHU-HXUWFJFHSA-N 1 0 543.049 1.904 1 0 KDAFRO CCCCOC(=O)N[C@@H](CCC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C(=[NH2+])NO)cc1)C(=O)N2C)C(=O)OCC ZINC000026182169 561771925 /nfs/dbraw/zinc/77/19/25/561771925.db2.gz SXIHFMBRQILFHD-FQEVSTJZSA-N 1 0 574.635 1.989 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[NH3+] ZINC000026249260 561773700 /nfs/dbraw/zinc/77/37/00/561773700.db2.gz RWEITUQSTIKAJV-SDHOMARFSA-N 1 0 524.662 1.884 1 0 KDAFRO CCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000026255403 561774698 /nfs/dbraw/zinc/77/46/98/561774698.db2.gz OKRHMEQKJOXUPS-UHFFFAOYSA-N 1 0 511.587 1.334 1 0 KDAFRO CCn1cc(NC=O)nc1C(=O)Nc1cn(CC)c(C(=O)Nc2cn(CC)c(C(=O)NCCC[NH+](C)C)n2)n1 ZINC000026256918 561774973 /nfs/dbraw/zinc/77/49/73/561774973.db2.gz LAGBYYGOOWJEDQ-UHFFFAOYSA-N 1 0 541.617 1.090 1 0 KDAFRO CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O ZINC000026258068 561775060 /nfs/dbraw/zinc/77/50/60/561775060.db2.gz SMADVSFCWKOSPV-SSUZURRFSA-N 1 0 551.688 1.387 1 0 KDAFRO CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O ZINC000026262540 561775744 /nfs/dbraw/zinc/77/57/44/561775744.db2.gz RUGISWDTRCEARY-MJGRMWDMSA-N 1 0 551.688 1.387 1 0 KDAFRO Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+]3CCCC3)n(C)c2)n(C)c1 ZINC000026263652 561775882 /nfs/dbraw/zinc/77/58/82/561775882.db2.gz VSQJUAHMWPKUSE-UHFFFAOYSA-N 1 0 522.610 1.991 1 0 KDAFRO Cc1oc(CNC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000026268268 561776634 /nfs/dbraw/zinc/77/66/34/561776634.db2.gz MSOGEAJZHDALAA-UHFFFAOYSA-N 1 0 512.571 1.092 1 0 KDAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)n(C)c1 ZINC000026269976 561776932 /nfs/dbraw/zinc/77/69/32/561776932.db2.gz CLYLTEYCEBIHOM-UHFFFAOYSA-N 1 0 510.599 1.847 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](CC(=O)N2CCCCC2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026270454 561777140 /nfs/dbraw/zinc/77/71/40/561777140.db2.gz YRYSEPKILVOUCB-DHIUTWEWSA-N 1 0 551.692 1.448 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](Cc2ccc(O)cc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026271846 561777255 /nfs/dbraw/zinc/77/72/55/561777255.db2.gz OTLFPTVZPANVHC-DNQXCXABSA-N 1 0 532.645 1.994 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCC(F)(F)F)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000026276536 561778310 /nfs/dbraw/zinc/77/83/10/561778310.db2.gz QCUYFQLCFQFGPD-QORCZRPOSA-N 1 0 682.766 1.046 1 0 KDAFRO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC[NH2+]CC1 ZINC000026381758 561783431 /nfs/dbraw/zinc/78/34/31/561783431.db2.gz SFHASZWKUUAYBP-STVCLKQXSA-N 1 0 639.842 1.886 1 0 KDAFRO CC(C)CCn1c(=O)n2n(c1=O)[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc1ccc(C(N)=O)cc1)C=C[C@@H]2CC(C)C ZINC000026385473 561784241 /nfs/dbraw/zinc/78/42/41/561784241.db2.gz MTFCQAPOAHFDMX-ZNZIZOMTSA-N 1 0 625.771 1.196 1 0 KDAFRO CC(C)CCn1c(=O)n2n(c1=O)[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc1ccc(C(N)=O)cc1)C=C[C@H]2CC(C)C ZINC000026385476 561784209 /nfs/dbraw/zinc/78/42/09/561784209.db2.gz MTFCQAPOAHFDMX-GSDHBNRESA-N 1 0 625.771 1.196 1 0 KDAFRO CC1=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026385485 561784273 /nfs/dbraw/zinc/78/42/73/561784273.db2.gz GDXSOPXPZLEHAW-ACHIHNKUSA-N 1 0 693.805 1.785 1 0 KDAFRO CC1=C[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026385489 561784293 /nfs/dbraw/zinc/78/42/93/561784293.db2.gz GDXSOPXPZLEHAW-AJQTZOPKSA-N 1 0 693.805 1.785 1 0 KDAFRO CC1=C[C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026385494 561784283 /nfs/dbraw/zinc/78/42/83/561784283.db2.gz GDXSOPXPZLEHAW-ZWXJPIIXSA-N 1 0 693.805 1.785 1 0 KDAFRO CC1=C[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026385501 561784263 /nfs/dbraw/zinc/78/42/63/561784263.db2.gz GDXSOPXPZLEHAW-ROJLCIKYSA-N 1 0 693.805 1.785 1 0 KDAFRO COC(=O)[C@@H](CC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC[C@H](C)[NH3+])C(C)C)C(C)C ZINC000026389054 561785324 /nfs/dbraw/zinc/78/53/24/561785324.db2.gz LUSRQWCJRNORIW-GHXSILMLSA-N 1 0 562.752 1.726 1 0 KDAFRO CC1=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026389660 561785451 /nfs/dbraw/zinc/78/54/51/561785451.db2.gz SEFDHSMOCPXWGA-KYJUHHDHSA-N 1 0 679.778 1.591 1 0 KDAFRO CC1=C[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026389665 561785473 /nfs/dbraw/zinc/78/54/73/561785473.db2.gz SEFDHSMOCPXWGA-XZWHSSHBSA-N 1 0 679.778 1.591 1 0 KDAFRO CC1=C[C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026389670 561785471 /nfs/dbraw/zinc/78/54/71/561785471.db2.gz SEFDHSMOCPXWGA-IHLOFXLRSA-N 1 0 679.778 1.591 1 0 KDAFRO CC1=C[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n2C1 ZINC000026389675 561785469 /nfs/dbraw/zinc/78/54/69/561785469.db2.gz SEFDHSMOCPXWGA-LOYHVIPDSA-N 1 0 679.778 1.591 1 0 KDAFRO COc1ccc(-n2c(=O)n3n(c2=O)[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)C=C[C@@H]3CC(C)C)cc1 ZINC000026390105 561785531 /nfs/dbraw/zinc/78/55/31/561785531.db2.gz KTNICSCPSOLHGU-PKXQUSJVSA-N 1 0 661.760 1.148 1 0 KDAFRO COc1ccc(-n2c(=O)n3n(c2=O)[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)C=C[C@H]3CC(C)C)cc1 ZINC000026390110 561785569 /nfs/dbraw/zinc/78/55/69/561785569.db2.gz KTNICSCPSOLHGU-MYKRZTLLSA-N 1 0 661.760 1.148 1 0 KDAFRO NC(=O)c1ccc(CCNC(=O)C(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H]2C=CCn3c(=O)n(CC(c4ccccc4)c4ccccc4)c(=O)n32)cc1 ZINC000026390504 561785665 /nfs/dbraw/zinc/78/56/65/561785665.db2.gz LWNGHTLPXXEYLC-JSOSNVBQSA-N 1 0 679.778 1.395 1 0 KDAFRO NC(=O)c1ccc(CCNC(=O)C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]2C=CCn3c(=O)n(CC(c4ccccc4)c4ccccc4)c(=O)n32)cc1 ZINC000026390509 561785729 /nfs/dbraw/zinc/78/57/29/561785729.db2.gz LWNGHTLPXXEYLC-CONSDPRKSA-N 1 0 679.778 1.395 1 0 KDAFRO NC(=O)c1ccc(CCNC(=O)C(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H]2C=CCn3c(=O)n(CC(c4ccccc4)c4ccccc4)c(=O)n32)cc1 ZINC000026390514 561785735 /nfs/dbraw/zinc/78/57/35/561785735.db2.gz LWNGHTLPXXEYLC-FIRIVFDPSA-N 1 0 679.778 1.395 1 0 KDAFRO NC(=O)c1ccc(CCNC(=O)C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C=CCn3c(=O)n(CC(c4ccccc4)c4ccccc4)c(=O)n32)cc1 ZINC000026390521 561785694 /nfs/dbraw/zinc/78/56/94/561785694.db2.gz LWNGHTLPXXEYLC-IOWSJCHKSA-N 1 0 679.778 1.395 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000026398563 561787766 /nfs/dbraw/zinc/78/77/66/561787766.db2.gz RMBZABLUXSWSNA-HZFUHODCSA-N 1 0 690.852 1.927 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000026398600 561787788 /nfs/dbraw/zinc/78/77/88/561787788.db2.gz UBSOHDSAEHUAAU-IMCABRTFSA-N 1 0 684.883 1.087 1 0 KDAFRO C[NH2+]CCCCC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1 ZINC000026403060 561788860 /nfs/dbraw/zinc/78/88/60/561788860.db2.gz FPCWIZSRYXQTTQ-PXQDMKDRSA-N 1 0 587.762 2.000 1 0 KDAFRO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C/[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026478065 561791410 /nfs/dbraw/zinc/79/14/10/561791410.db2.gz OVKZMBUVHOTLSB-VUXYCHNYSA-N 1 0 552.672 1.756 1 0 KDAFRO COc1ccc(C[C@H](NC(=O)c2ccc(C(N)=[NH2+])cc2)C(=O)N2CCN(CC(=O)[O-])C(=O)[C@@H]2CCCCNC(=O)c2ccc(C(N)=[NH2+])cc2)cc1 ZINC000026488514 561792913 /nfs/dbraw/zinc/79/29/13/561792913.db2.gz OUQFXJKFYTZAHW-VMPREFPWSA-N 1 0 698.781 1.329 1 0 KDAFRO CCOc1ccc(CC[C@H]([NH2+][C@H](C)C(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc2ccccc2)cc1 ZINC000026490008 561793155 /nfs/dbraw/zinc/79/31/55/561793155.db2.gz IROSASOHPXXTQE-LEOXJPRUSA-N 1 0 526.638 1.836 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 ZINC000026490101 561793171 /nfs/dbraw/zinc/79/31/71/561793171.db2.gz WGIBXNUEMOBZSJ-CUTTXCQYSA-N 1 0 711.905 1.913 1 0 KDAFRO CC(=O)N[C@H](CC(=O)NC[C@H](CCCC[NH3+])C(=O)N[C@H](CC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1c[nH]c2ccccc12)[C@@H](C)O ZINC000026494361 561794004 /nfs/dbraw/zinc/79/40/04/561794004.db2.gz DDIWIZSUGDAFOH-NZNFSSIUSA-N 1 0 677.847 1.325 1 0 KDAFRO C[C@@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026498402 561794845 /nfs/dbraw/zinc/79/48/45/561794845.db2.gz IWOJWBTVEOHVDZ-HJNYFJLDSA-N 1 0 567.716 1.498 1 0 KDAFRO C[C@@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026498406 581095670 /nfs/dbraw/zinc/09/56/70/581095670.db2.gz IWOJWBTVEOHVDZ-FCEUIQTBSA-N 1 0 567.716 1.498 1 0 KDAFRO CC(=O)N[C@H](CC(=O)N[C@@H](CCCC[NH3+])CC(=O)N[C@H](CC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1c[nH]c2ccccc12)[C@@H](C)O ZINC000026498476 561794776 /nfs/dbraw/zinc/79/47/76/561794776.db2.gz LBDLLXGTKQICBY-GYILHORFSA-N 1 0 677.847 1.468 1 0 KDAFRO CN1CC(=O)N(CC(=O)N[C@@H](C[C@@H]2CCCN(C(N)=[NH2+])C2)C(=O)c2nccs2)[C@@H](Cc2ccc3ccccc3c2)C1=O ZINC000026499538 561795155 /nfs/dbraw/zinc/79/51/55/561795155.db2.gz UBHFIMZNODJJLQ-OYDLWJJNSA-N 1 0 589.722 1.871 1 0 KDAFRO CN1CC(=O)N(CC(=O)N[C@@H](C[C@H]2CCCN(C(N)=[NH2+])C2)C(=O)c2nccs2)[C@@H](Cc2ccc3ccccc3c2)C1=O ZINC000026499541 561795099 /nfs/dbraw/zinc/79/50/99/561795099.db2.gz UBHFIMZNODJJLQ-QDSKXPNFSA-N 1 0 589.722 1.871 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN1C(=O)CN(CCCc2ccccc2)C(=O)[C@H]1Cc1ccccc1)C(=O)c1nccs1 ZINC000026499882 561795109 /nfs/dbraw/zinc/79/51/09/561795109.db2.gz KWERQAONXGOPNU-LOSJGSFVSA-N 1 0 603.749 1.989 1 0 KDAFRO CCCCN1CC(=O)N(CC(=O)N[C@@H](C[C@@H]2CCCN(C(N)=[NH2+])C2)C(=O)c2nccs2)[C@H](Cc2ccccc2)C1=O ZINC000026499885 561795120 /nfs/dbraw/zinc/79/51/20/561795120.db2.gz YCOAEUYHPZQNMJ-RJGXRXQPSA-N 1 0 581.743 1.888 1 0 KDAFRO CCCCN1CC(=O)N(CC(=O)N[C@@H](C[C@H]2CCCN(C(N)=[NH2+])C2)C(=O)c2nccs2)[C@H](Cc2ccccc2)C1=O ZINC000026499889 561795093 /nfs/dbraw/zinc/79/50/93/561795093.db2.gz YCOAEUYHPZQNMJ-XPWALMASSA-N 1 0 581.743 1.888 1 0 KDAFRO COC(=O)[C@H]1Cc2ccc(O)c(c2)Oc2ccc(cc2)C[C@H]([NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 ZINC000026501020 561795481 /nfs/dbraw/zinc/79/54/81/561795481.db2.gz OYUVAYNPMPDLBV-RJGXRXQPSA-N 1 0 519.554 1.701 1 0 KDAFRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C ZINC000026502588 561795815 /nfs/dbraw/zinc/79/58/15/561795815.db2.gz HWPPJZPOBGLVIY-WTOKIVCYSA-N 1 0 596.773 1.441 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000026504850 561796259 /nfs/dbraw/zinc/79/62/59/561796259.db2.gz CLCZTSCTTGZZIN-QKDODKLFSA-N 1 0 601.708 1.485 1 0 KDAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2CC(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 ZINC000026504904 561796412 /nfs/dbraw/zinc/79/64/12/561796412.db2.gz PWMRLNWGBVVJQG-SFTDATJTSA-N 1 0 553.689 1.110 1 0 KDAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2CC(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 ZINC000026504908 561796423 /nfs/dbraw/zinc/79/64/23/561796423.db2.gz PWMRLNWGBVVJQG-RTWAWAEBSA-N 1 0 553.689 1.110 1 0 KDAFRO CNC(=O)[C@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)NC(=O)CN1C(=O)CN(CCCc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000026505290 561796407 /nfs/dbraw/zinc/79/64/07/561796407.db2.gz LAWJGTHRQJWMDO-GMQQYTKMSA-N 1 0 589.741 1.128 1 0 KDAFRO CNC(=O)[C@H](C[C@H]1CCCN(C(N)=[NH2+])C1)NC(=O)CN1C(=O)CN(CCCc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000026505296 561796406 /nfs/dbraw/zinc/79/64/06/561796406.db2.gz LAWJGTHRQJWMDO-KWXIBIRDSA-N 1 0 589.741 1.128 1 0 KDAFRO O=Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CC3)[C@H]2O6)cc1C=O ZINC000026505340 561796441 /nfs/dbraw/zinc/79/64/41/561796441.db2.gz IROYYIATGDSDTC-MWTBLRQASA-N 1 0 559.619 1.496 1 0 KDAFRO CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026505462 561796428 /nfs/dbraw/zinc/79/64/28/561796428.db2.gz MTLCJOMQTQWTGO-UGBJIQCZSA-N 1 0 673.811 1.819 1 0 KDAFRO CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026505470 561796421 /nfs/dbraw/zinc/79/64/21/561796421.db2.gz MTLCJOMQTQWTGO-XLTMWRHZSA-N 1 0 673.811 1.819 1 0 KDAFRO C[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026568653 561797625 /nfs/dbraw/zinc/79/76/25/561797625.db2.gz IWOJWBTVEOHVDZ-BVSLBCMMSA-N 1 0 567.716 1.498 1 0 KDAFRO C[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026568657 581095600 /nfs/dbraw/zinc/09/56/00/581095600.db2.gz IWOJWBTVEOHVDZ-NNWRFLSQSA-N 1 0 567.716 1.498 1 0 KDAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)COCC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026570731 561798022 /nfs/dbraw/zinc/79/80/22/561798022.db2.gz CWSQZZUJYZUVGE-DTXPUJKBSA-N 1 0 646.789 1.968 1 0 KDAFRO COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H]([NH2+][C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O)CC2 ZINC000026572964 561798471 /nfs/dbraw/zinc/79/84/71/561798471.db2.gz QAFZZTPUJNDQFS-YIEJFHHZSA-N 1 0 505.589 1.477 1 0 KDAFRO COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc3ccccc3c1)C(=O)N2CC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O ZINC000026575321 561799151 /nfs/dbraw/zinc/79/91/51/561799151.db2.gz LKXWXHDZJGJXKR-NLJOTIRTSA-N 1 0 594.694 1.267 1 0 KDAFRO COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc3ccccc3c1)C(=O)N2CC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@H]1O ZINC000026575323 561799169 /nfs/dbraw/zinc/79/91/69/561799169.db2.gz LKXWXHDZJGJXKR-DPZBCOQUSA-N 1 0 594.694 1.267 1 0 KDAFRO COC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026575478 561799136 /nfs/dbraw/zinc/79/91/36/561799136.db2.gz NTUKMINYKIAZSG-AQNXPRMDSA-N 1 0 518.611 1.427 1 0 KDAFRO CCCOc1ccc(S(=O)(=O)N2CCN(CC[NH+](C)C)CC2)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000026577095 561800964 /nfs/dbraw/zinc/80/09/64/561800964.db2.gz YCCXTYINOCEEDU-UHFFFAOYSA-N 1 0 575.736 1.403 1 0 KDAFRO CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O)[NH2+]C[C@H](O)[C@@H](O)CO ZINC000026656842 561809525 /nfs/dbraw/zinc/80/95/25/561809525.db2.gz PVEBQLSABJDAPD-FGUUHEIUSA-N 1 0 613.719 1.970 1 0 KDAFRO CCOC(=O)C[C@@H](O)[C@@H]([NH3+])CCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026657120 561809540 /nfs/dbraw/zinc/80/95/40/561809540.db2.gz RMLOITKZKQVOBJ-TWRVUUBYSA-N 1 0 500.681 1.242 1 0 KDAFRO CCOC(=O)C[C@H](O)[C@@H]([NH3+])CCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026657125 561809547 /nfs/dbraw/zinc/80/95/47/561809547.db2.gz RMLOITKZKQVOBJ-BZRIBIQUSA-N 1 0 500.681 1.242 1 0 KDAFRO CCOC(=O)C[C@@H](O)[C@H]([NH3+])CCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026657130 561809582 /nfs/dbraw/zinc/80/95/82/561809582.db2.gz RMLOITKZKQVOBJ-DAVBRLECSA-N 1 0 500.681 1.242 1 0 KDAFRO CCOC(=O)C[C@H](O)[C@H]([NH3+])CCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026657135 561809487 /nfs/dbraw/zinc/80/94/87/561809487.db2.gz RMLOITKZKQVOBJ-IYRWYFENSA-N 1 0 500.681 1.242 1 0 KDAFRO CCS(=O)(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026658659 561809904 /nfs/dbraw/zinc/80/99/04/561809904.db2.gz WYPLXKNPOOGKQB-RUZDIDTESA-N 1 0 570.653 1.617 1 0 KDAFRO CCS(=O)(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026658665 561809906 /nfs/dbraw/zinc/80/99/06/561809906.db2.gz WYPLXKNPOOGKQB-VWLOTQADSA-N 1 0 570.653 1.617 1 0 KDAFRO NC(=[NH2+])c1cccc(C2=NO[C@@](Cn3ncnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000026659086 561810088 /nfs/dbraw/zinc/81/00/88/561810088.db2.gz MSQXYLXRTPWVQG-VWLOTQADSA-N 1 0 545.585 1.474 1 0 KDAFRO NC(=[NH2+])c1cccc(C2=NO[C@](Cn3ncnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000026659092 561810047 /nfs/dbraw/zinc/81/00/47/561810047.db2.gz MSQXYLXRTPWVQG-RUZDIDTESA-N 1 0 545.585 1.474 1 0 KDAFRO CCS(=O)(=O)C[C@@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026662736 561810607 /nfs/dbraw/zinc/81/06/07/561810607.db2.gz WVAOHMVBVSDJQO-XMMPIXPASA-N 1 0 571.641 1.012 1 0 KDAFRO CCS(=O)(=O)C[C@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026662742 561810599 /nfs/dbraw/zinc/81/05/99/561810599.db2.gz WVAOHMVBVSDJQO-DEOSSOPVSA-N 1 0 571.641 1.012 1 0 KDAFRO NC(=[NH2+])c1ccc(C[C@H](N)C(=O)[C@@H]2CCCCN2C(=O)[C@@H](N)S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000026664019 561810891 /nfs/dbraw/zinc/81/08/91/561810891.db2.gz UBTRLIZAMPJCOY-MCEYFSPLSA-N 1 0 521.643 1.703 1 0 KDAFRO NC(=[NH2+])c1ccc(C[C@H](N)C(=O)[C@H]2CCCCN2C(=O)[C@@H](N)S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000026664024 561810915 /nfs/dbraw/zinc/81/09/15/561810915.db2.gz UBTRLIZAMPJCOY-VRUMLPLGSA-N 1 0 521.643 1.703 1 0 KDAFRO Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)[C@@]1(Cn2cnnn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026666257 561811299 /nfs/dbraw/zinc/81/12/99/561811299.db2.gz PHHWZEWSGHCFRK-SANMLTNESA-N 1 0 559.612 1.782 1 0 KDAFRO Cc1cc(-c2ccccc2S(N)(=O)=O)ccc1NC(=O)[C@]1(Cn2cnnn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026666262 561811270 /nfs/dbraw/zinc/81/12/70/561811270.db2.gz PHHWZEWSGHCFRK-AREMUKBSSA-N 1 0 559.612 1.782 1 0 KDAFRO NC(=[NH2+])c1cccc(C2=NO[C@@](Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)C2)c1 ZINC000026669638 561812048 /nfs/dbraw/zinc/81/20/48/561812048.db2.gz RHFVBAXARQYYHX-VWLOTQADSA-N 1 0 563.575 1.613 1 0 KDAFRO NC(=[NH2+])c1cccc(C2=NO[C@](Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)C2)c1 ZINC000026669644 561812061 /nfs/dbraw/zinc/81/20/61/561812061.db2.gz RHFVBAXARQYYHX-RUZDIDTESA-N 1 0 563.575 1.613 1 0 KDAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)nc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026670807 561812240 /nfs/dbraw/zinc/81/22/40/561812240.db2.gz WQCPZORIAYZEBO-RUZDIDTESA-N 1 0 536.570 1.745 1 0 KDAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)nc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026670812 561812263 /nfs/dbraw/zinc/81/22/63/561812263.db2.gz WQCPZORIAYZEBO-VWLOTQADSA-N 1 0 536.570 1.745 1 0 KDAFRO CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@]2(Cn3cnnn3)CC(c3cccc(C(N)=[NH2+])c3)=NO2)cc1 ZINC000026670816 561812303 /nfs/dbraw/zinc/81/23/03/561812303.db2.gz CPMPNWOJBUGGMU-SANMLTNESA-N 1 0 559.612 1.734 1 0 KDAFRO CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@]2(Cn3cnnn3)CC(c3cccc(C(N)=[NH2+])c3)=NO2)cc1 ZINC000026670820 561812297 /nfs/dbraw/zinc/81/22/97/561812297.db2.gz CPMPNWOJBUGGMU-AREMUKBSSA-N 1 0 559.612 1.734 1 0 KDAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@H](CCC[NH3+])NC(=O)[C@H](CC(N)=O)NC1=O ZINC000026673543 561813100 /nfs/dbraw/zinc/81/31/00/561813100.db2.gz XWZNQORXIAMCOX-VWGJYCTDSA-N 1 0 728.961 1.368 1 0 KDAFRO CCOC(=O)C[C@@H](O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026675468 561813907 /nfs/dbraw/zinc/81/39/07/561813907.db2.gz VEBJTQSPLROLQI-VKGYTVAMSA-N 1 0 500.681 1.242 1 0 KDAFRO CCOC(=O)C[C@H](O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026675469 561813892 /nfs/dbraw/zinc/81/38/92/561813892.db2.gz VEBJTQSPLROLQI-FUKQBSRTSA-N 1 0 500.681 1.242 1 0 KDAFRO CCOC(=O)C[C@@H](O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026675471 561813869 /nfs/dbraw/zinc/81/38/69/561813869.db2.gz VEBJTQSPLROLQI-YDLSIGKMSA-N 1 0 500.681 1.242 1 0 KDAFRO COc1cccc(OC[C@@H](O)CN2CC[NH+](CCC(=O)N3CCCSc4c3cnn(C)c4=O)CC2)c1 ZINC000026724453 561815685 /nfs/dbraw/zinc/81/56/85/561815685.db2.gz GRFTYUFXQPHTSV-IBGZPJMESA-N 1 0 517.652 1.065 1 0 KDAFRO COc1cccc(OC[C@H](O)CN2CC[NH+](CCC(=O)N3CCCSc4c3cnn(C)c4=O)CC2)c1 ZINC000026724459 561815752 /nfs/dbraw/zinc/81/57/52/561815752.db2.gz GRFTYUFXQPHTSV-LJQANCHMSA-N 1 0 517.652 1.065 1 0 KDAFRO CCOC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026736806 561817615 /nfs/dbraw/zinc/81/76/15/561817615.db2.gz VEBJTQSPLROLQI-DHNNRRLOSA-N 1 0 500.681 1.242 1 0 KDAFRO CCOC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026736811 561817655 /nfs/dbraw/zinc/81/76/55/561817655.db2.gz VEBJTQSPLROLQI-BZRIBIQUSA-N 1 0 500.681 1.242 1 0 KDAFRO [NH3+]C1CCC([C@H](NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)c2nccs2)CC1 ZINC000026738794 581096614 /nfs/dbraw/zinc/09/66/14/581096614.db2.gz YZQIICAYGKMHGV-YKLUDHTBSA-N 1 0 559.714 1.533 1 0 KDAFRO COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026739072 561817718 /nfs/dbraw/zinc/81/77/18/561817718.db2.gz COPPIRSHJLYGKH-HMWAHOBHSA-N 1 0 633.831 1.579 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026739077 561817711 /nfs/dbraw/zinc/81/77/11/561817711.db2.gz COPPIRSHJLYGKH-XTOYTDESSA-N 1 0 633.831 1.579 1 0 KDAFRO COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026739081 561817770 /nfs/dbraw/zinc/81/77/70/561817770.db2.gz COPPIRSHJLYGKH-OMPFRWKQSA-N 1 0 633.831 1.579 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026739086 561817773 /nfs/dbraw/zinc/81/77/73/561817773.db2.gz COPPIRSHJLYGKH-SBROXDMYSA-N 1 0 633.831 1.579 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCNC(=O)C1=O ZINC000026739619 561817940 /nfs/dbraw/zinc/81/79/40/561817940.db2.gz JIHDGYVUJHELTN-DSNGMDLFSA-N 1 0 597.761 1.273 1 0 KDAFRO CCOC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026741491 561818107 /nfs/dbraw/zinc/81/81/07/561818107.db2.gz VEBJTQSPLROLQI-LBVMUVSTSA-N 1 0 500.681 1.242 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCNC(=O)C1=O ZINC000026748234 561819213 /nfs/dbraw/zinc/81/92/13/561819213.db2.gz DJSUIUCALYJEJI-UODIDJSMSA-N 1 0 611.788 1.663 1 0 KDAFRO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752167 561819902 /nfs/dbraw/zinc/81/99/02/561819902.db2.gz LDLKDIAFJQWVNM-ACQYNFKHSA-N 1 0 718.900 1.033 1 0 KDAFRO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752172 561820033 /nfs/dbraw/zinc/82/00/33/561820033.db2.gz LDLKDIAFJQWVNM-FSJACQRISA-N 1 0 718.900 1.033 1 0 KDAFRO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752178 561819919 /nfs/dbraw/zinc/81/99/19/561819919.db2.gz LDLKDIAFJQWVNM-KLGVQLDVSA-N 1 0 718.900 1.033 1 0 KDAFRO CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752184 561820011 /nfs/dbraw/zinc/82/00/11/561820011.db2.gz LDLKDIAFJQWVNM-YTTLQHOZSA-N 1 0 718.900 1.033 1 0 KDAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(N(CCO)CCO)cc4)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000026817002 561820376 /nfs/dbraw/zinc/82/03/76/561820376.db2.gz KYIDBCMOBXPQCS-UHFFFAOYSA-N 1 0 660.736 1.306 1 0 KDAFRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000026822119 561821386 /nfs/dbraw/zinc/82/13/86/561821386.db2.gz RWAXWGARRCXUQH-BBACVFHCSA-N 1 0 722.847 1.956 1 0 KDAFRO Cc1c(C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)c2c1OC(C)(C)CC2 ZINC000026833273 561823440 /nfs/dbraw/zinc/82/34/40/561823440.db2.gz ONUNOWVVELQNRN-XMMPIXPASA-N 1 0 619.810 1.993 1 0 KDAFRO CN(C)C(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026834906 561823993 /nfs/dbraw/zinc/82/39/93/561823993.db2.gz AMRRXWBRMUATPJ-DEOSSOPVSA-N 1 0 536.658 1.839 1 0 KDAFRO CS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026836413 561824479 /nfs/dbraw/zinc/82/44/79/561824479.db2.gz ROHIQEZPGXXMND-HSZRJFAPSA-N 1 0 543.671 1.117 1 0 KDAFRO CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026836417 561824565 /nfs/dbraw/zinc/82/45/65/561824565.db2.gz ROHIQEZPGXXMND-QHCPKHFHSA-N 1 0 543.671 1.117 1 0 KDAFRO CCS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026837164 561824811 /nfs/dbraw/zinc/82/48/11/561824811.db2.gz CRZUXECLHOVBBI-XMMPIXPASA-N 1 0 557.698 1.507 1 0 KDAFRO CCS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026837168 561824820 /nfs/dbraw/zinc/82/48/20/561824820.db2.gz CRZUXECLHOVBBI-DEOSSOPVSA-N 1 0 557.698 1.507 1 0 KDAFRO CCCS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026839385 561825288 /nfs/dbraw/zinc/82/52/88/561825288.db2.gz WZRVKMMDDNEWAV-RUZDIDTESA-N 1 0 571.725 1.897 1 0 KDAFRO CCCS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026839389 561825336 /nfs/dbraw/zinc/82/53/36/561825336.db2.gz WZRVKMMDDNEWAV-VWLOTQADSA-N 1 0 571.725 1.897 1 0 KDAFRO CN(C)C(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026839714 561825420 /nfs/dbraw/zinc/82/54/20/561825420.db2.gz AMRRXWBRMUATPJ-XMMPIXPASA-N 1 0 536.658 1.839 1 0 KDAFRO CS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc3ccccc32)CC1 ZINC000026840044 561825594 /nfs/dbraw/zinc/82/55/94/561825594.db2.gz SSYPATBDYOCKHJ-JOCHJYFZSA-N 1 0 543.671 1.117 1 0 KDAFRO CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc3ccccc32)CC1 ZINC000026840048 561825588 /nfs/dbraw/zinc/82/55/88/561825588.db2.gz SSYPATBDYOCKHJ-QFIPXVFZSA-N 1 0 543.671 1.117 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O ZINC000026840083 561825614 /nfs/dbraw/zinc/82/56/14/561825614.db2.gz OUJSALASYUKUMI-IGKIAQTJSA-N 1 0 554.651 1.984 1 0 KDAFRO CC(C)(C)c1ccc(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000026840206 561825533 /nfs/dbraw/zinc/82/55/33/561825533.db2.gz VXHOIUCHSWQRDN-JOCHJYFZSA-N 1 0 549.719 1.262 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000026842005 561825997 /nfs/dbraw/zinc/82/59/97/561825997.db2.gz SRGLLZPFSWOZRP-LYXINOJLSA-N 1 0 701.850 1.038 1 0 KDAFRO COC(=O)CN(c1cccc(C(N)=[NH2+])c1)S(=O)(=O)CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000026842401 561825978 /nfs/dbraw/zinc/82/59/78/561825978.db2.gz RSZOOFAPNKMEGH-UHFFFAOYSA-N 1 0 530.628 1.837 1 0 KDAFRO CCOC(=O)COC1CCN(C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(C(=[NH2+])NO)cc2)CC1 ZINC000026843629 561826116 /nfs/dbraw/zinc/82/61/16/561826116.db2.gz SNKGRLUCQZCOIY-QFIPXVFZSA-N 1 0 512.563 1.608 1 0 KDAFRO CC(C)OC(=O)O[C@@H](C)OC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(C(=[NH2+])NO)cc2)CC1 ZINC000026847500 561826759 /nfs/dbraw/zinc/82/67/59/561826759.db2.gz RCDRXHDBTDLYSN-HOTGVXAUSA-N 1 0 522.555 1.567 1 0 KDAFRO CC(C)OC(=O)O[C@H](C)OC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(C(=[NH2+])NO)cc2)CC1 ZINC000026847507 561826800 /nfs/dbraw/zinc/82/68/00/561826800.db2.gz RCDRXHDBTDLYSN-JKSUJKDBSA-N 1 0 522.555 1.567 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3F)CC(=O)N21)C(=O)c1nccs1 ZINC000026943019 561828191 /nfs/dbraw/zinc/82/81/91/561828191.db2.gz SXFCNSXJKMQFFK-SXLOBPIMSA-N 1 0 557.652 1.048 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3F)CC(=O)N21)C(=O)c1nccs1 ZINC000026943028 561828204 /nfs/dbraw/zinc/82/82/04/561828204.db2.gz SXFCNSXJKMQFFK-IHPCNDPISA-N 1 0 557.652 1.048 1 0 KDAFRO C[C@@H](O)[C@@H]([NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026945174 561828407 /nfs/dbraw/zinc/82/84/07/561828407.db2.gz GSFOSBITLLAJPH-HPAGKWPZSA-N 1 0 583.689 1.801 1 0 KDAFRO C[C@H](O)[C@@H]([NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026945183 561828392 /nfs/dbraw/zinc/82/83/92/561828392.db2.gz GSFOSBITLLAJPH-CEVPYIJPSA-N 1 0 583.689 1.801 1 0 KDAFRO C[C@@H](O)[C@H]([NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026945195 561828396 /nfs/dbraw/zinc/82/83/96/561828396.db2.gz GSFOSBITLLAJPH-PKSWWXTGSA-N 1 0 583.689 1.801 1 0 KDAFRO C[C@H](O)[C@H]([NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026945205 561828443 /nfs/dbraw/zinc/82/84/43/561828443.db2.gz GSFOSBITLLAJPH-GZCHYGRLSA-N 1 0 583.689 1.801 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026952460 561828928 /nfs/dbraw/zinc/82/89/28/561828928.db2.gz CDSSCUZXBPIMBD-HBMCJLEFSA-N 1 0 525.679 1.382 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026952472 561828964 /nfs/dbraw/zinc/82/89/64/561828964.db2.gz CDSSCUZXBPIMBD-ACRUOGEOSA-N 1 0 525.679 1.382 1 0 KDAFRO C[C@@H](O)[C@@H](NC(=O)CC[NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953081 561828997 /nfs/dbraw/zinc/82/89/97/561828997.db2.gz JNBBFWPXWRXVTH-CRMDLYNQSA-N 1 0 654.768 1.307 1 0 KDAFRO C[C@H](O)[C@@H](NC(=O)CC[NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953091 561829066 /nfs/dbraw/zinc/82/90/66/561829066.db2.gz JNBBFWPXWRXVTH-MRHIPVCESA-N 1 0 654.768 1.307 1 0 KDAFRO C[C@@H](O)[C@H](NC(=O)CC[NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953098 561829054 /nfs/dbraw/zinc/82/90/54/561829054.db2.gz JNBBFWPXWRXVTH-ALVJXFMFSA-N 1 0 654.768 1.307 1 0 KDAFRO C[C@H](O)[C@H](NC(=O)CC[NH3+])C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026953107 561829008 /nfs/dbraw/zinc/82/90/08/561829008.db2.gz JNBBFWPXWRXVTH-MJHJNNAXSA-N 1 0 654.768 1.307 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)OCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026953690 561829043 /nfs/dbraw/zinc/82/90/43/561829043.db2.gz BNLHSTXGBMVOTB-OTWHNJEPSA-N 1 0 541.634 1.086 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)OCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026953697 561829009 /nfs/dbraw/zinc/82/90/09/561829009.db2.gz BNLHSTXGBMVOTB-FHWLQOOXSA-N 1 0 541.634 1.086 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCC3CCCCC3)CC(=O)N21)C(=O)c1nccs1 ZINC000026958447 561829505 /nfs/dbraw/zinc/82/95/05/561829505.db2.gz IPRMMWZUWRDBFS-ZCNNSNEGSA-N 1 0 545.710 1.636 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCC3CCCCC3)CC(=O)N21)C(=O)c1nccs1 ZINC000026958458 561829545 /nfs/dbraw/zinc/82/95/45/561829545.db2.gz IPRMMWZUWRDBFS-UFYCRDLUSA-N 1 0 545.710 1.636 1 0 KDAFRO C[N@@H+](Cc1ccc2cc(NS(C)(=O)=O)ccc2n1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000026966153 561829974 /nfs/dbraw/zinc/82/99/74/561829974.db2.gz KHMIHYSHLZKDBZ-HXUWFJFHSA-N 1 0 508.622 1.850 1 0 KDAFRO C[N@@H+](Cc1ccc2cc(NS(C)(=O)=O)ccc2n1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000026966163 561830053 /nfs/dbraw/zinc/83/00/53/561830053.db2.gz KHMIHYSHLZKDBZ-FQEVSTJZSA-N 1 0 508.622 1.850 1 0 KDAFRO CN1N=C2CCN(C(=O)[C@@H](COCc3ccc(F)c(F)c3)NC(=O)C(C)(C)[NH3+])C[C@@]2(Cc2ccccc2)C1=O ZINC000026967573 561830032 /nfs/dbraw/zinc/83/00/32/561830032.db2.gz LNGBRCMHOMMAIO-SKCUWOTOSA-N 1 0 541.599 1.993 1 0 KDAFRO CN1N=C2CCN(C(=O)[C@@H](COCc3ccc(F)c(F)c3)NC(=O)C(C)(C)[NH3+])C[C@]2(Cc2ccccc2)C1=O ZINC000026967583 561830025 /nfs/dbraw/zinc/83/00/25/561830025.db2.gz LNGBRCMHOMMAIO-DFHRPNOPSA-N 1 0 541.599 1.993 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026969826 561830321 /nfs/dbraw/zinc/83/03/21/561830321.db2.gz XZHMLIMCTLTOMQ-HBMCJLEFSA-N 1 0 553.689 1.299 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026969837 561830352 /nfs/dbraw/zinc/83/03/52/561830352.db2.gz XZHMLIMCTLTOMQ-ACRUOGEOSA-N 1 0 553.689 1.299 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3C(F)(F)F)CC(=O)N21)C(=O)c1nccs1 ZINC000026970813 561830338 /nfs/dbraw/zinc/83/03/38/561830338.db2.gz URNLSCCWWKUSQB-SXLOBPIMSA-N 1 0 607.659 1.927 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3C(F)(F)F)CC(=O)N21)C(=O)c1nccs1 ZINC000026970821 561830319 /nfs/dbraw/zinc/83/03/19/561830319.db2.gz URNLSCCWWKUSQB-IHPCNDPISA-N 1 0 607.659 1.927 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCc1cnc(C)nc1N ZINC000026985902 561831888 /nfs/dbraw/zinc/83/18/88/561831888.db2.gz OJUXFOTVKMYAOQ-MMTDUKOKSA-N 1 0 666.868 1.797 1 0 KDAFRO CC1(C)O[C@H]2O[C@@H](COC[C@@H](O)C[NH+]3CCN(c4cccc(Cl)n4)CC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026991921 561832664 /nfs/dbraw/zinc/83/26/64/561832664.db2.gz LHZIKTKOIFHBSE-VYKRUAQDSA-N 1 0 514.019 1.631 1 0 KDAFRO CC1(C)O[C@H]2O[C@H](COC[C@@H](O)C[NH+]3CCN(c4cccc(Cl)n4)CC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026991929 561832636 /nfs/dbraw/zinc/83/26/36/561832636.db2.gz LHZIKTKOIFHBSE-ZYVMHULMSA-N 1 0 514.019 1.631 1 0 KDAFRO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)C[NH+]3CCN(c4cccc(Cl)n4)CC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026991939 561832645 /nfs/dbraw/zinc/83/26/45/561832645.db2.gz LHZIKTKOIFHBSE-VOQHJLGFSA-N 1 0 514.019 1.631 1 0 KDAFRO CC1(C)O[C@H]2O[C@H](COC[C@H](O)C[NH+]3CCN(c4cccc(Cl)n4)CC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026991949 561832577 /nfs/dbraw/zinc/83/25/77/561832577.db2.gz LHZIKTKOIFHBSE-PEFXOJROSA-N 1 0 514.019 1.631 1 0 KDAFRO NC(=[NH2+])N1CCC([C@@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)CC1 ZINC000027077906 561834490 /nfs/dbraw/zinc/83/44/90/561834490.db2.gz SVBUAEXAYRUCTC-AWRGLXIESA-N 1 0 565.700 1.251 1 0 KDAFRO C[C@@](Cc1ccc(O)cc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1)C(=O)NCCC[NH3+] ZINC000027082724 561835453 /nfs/dbraw/zinc/83/54/53/561835453.db2.gz KHBHKELVCLYNSG-CUBQBAPOSA-N 1 0 510.635 1.994 1 0 KDAFRO C[C@](Cc1ccc(O)cc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1)C(=O)NCCC[NH3+] ZINC000027082732 561835408 /nfs/dbraw/zinc/83/54/08/561835408.db2.gz KHBHKELVCLYNSG-RBJSKKJNSA-N 1 0 510.635 1.994 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@@H]1CCCN2C(=O)CC[C@H](C[NH3+])C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027085037 561835945 /nfs/dbraw/zinc/83/59/45/561835945.db2.gz VNHXULRSUCCIAJ-GESMNAKQSA-N 1 0 725.932 1.430 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H]1CCCN2C(=O)CC[C@H](C[NH3+])C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027085055 561835967 /nfs/dbraw/zinc/83/59/67/561835967.db2.gz VNHXULRSUCCIAJ-QQJADEJBSA-N 1 0 725.932 1.430 1 0 KDAFRO [NH3+]CCCC(=O)N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O ZINC000027087426 561836612 /nfs/dbraw/zinc/83/66/12/561836612.db2.gz LSPYSHWNGFHBOW-QVEYCFQASA-N 1 0 665.795 1.394 1 0 KDAFRO NC(=[NH2+])N1CCC[C@@H](C[C@@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)C1 ZINC000027088866 561836947 /nfs/dbraw/zinc/83/69/47/561836947.db2.gz MBTNEZJRUOUOHC-GPJHCHHRSA-N 1 0 579.727 1.641 1 0 KDAFRO NC(=[NH2+])N1CCC[C@H](C[C@@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)C1 ZINC000027088875 561836912 /nfs/dbraw/zinc/83/69/12/561836912.db2.gz MBTNEZJRUOUOHC-ACESQOTJSA-N 1 0 579.727 1.641 1 0 KDAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)C1 ZINC000027090628 561837157 /nfs/dbraw/zinc/83/71/57/561837157.db2.gz MBTNEZJRUOUOHC-MLCQCVOFSA-N 1 0 579.727 1.641 1 0 KDAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)C1 ZINC000027090636 561837175 /nfs/dbraw/zinc/83/71/75/561837175.db2.gz MBTNEZJRUOUOHC-LDVJMBRRSA-N 1 0 579.727 1.641 1 0 KDAFRO CC(C)(C)NC(=O)[C@@H]1C[NH2+]CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000027092915 561837559 /nfs/dbraw/zinc/83/75/59/561837559.db2.gz MKMGKCALCCOODL-BDYXOVRASA-N 1 0 522.690 1.559 1 0 KDAFRO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccccc2N2CCOCC2)cc1 ZINC000027102898 561839325 /nfs/dbraw/zinc/83/93/25/561839325.db2.gz FTJOHTGOOUJRJN-DENIHFKCSA-N 1 0 509.607 1.741 1 0 KDAFRO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccccc2N2CCOCC2)cc1 ZINC000027102903 561839308 /nfs/dbraw/zinc/83/93/08/561839308.db2.gz FTJOHTGOOUJRJN-SIKLNZKXSA-N 1 0 509.607 1.741 1 0 KDAFRO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccccc2N2CCOCC2)cc1 ZINC000027102907 561839261 /nfs/dbraw/zinc/83/92/61/561839261.db2.gz FTJOHTGOOUJRJN-KNQAVFIVSA-N 1 0 509.607 1.741 1 0 KDAFRO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccccc2N2CCOCC2)cc1 ZINC000027102915 561839291 /nfs/dbraw/zinc/83/92/91/561839291.db2.gz FTJOHTGOOUJRJN-UGKGYDQZSA-N 1 0 509.607 1.741 1 0 KDAFRO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccccc2S(C)(=O)=O)cc1 ZINC000027104504 561839499 /nfs/dbraw/zinc/83/94/99/561839499.db2.gz MDFGJRBMAURVDS-VQIMIIECSA-N 1 0 502.593 1.308 1 0 KDAFRO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccccc2S(C)(=O)=O)cc1 ZINC000027104508 561839560 /nfs/dbraw/zinc/83/95/60/561839560.db2.gz MDFGJRBMAURVDS-QFBILLFUSA-N 1 0 502.593 1.308 1 0 KDAFRO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccccc2S(C)(=O)=O)cc1 ZINC000027104514 561839506 /nfs/dbraw/zinc/83/95/06/561839506.db2.gz MDFGJRBMAURVDS-APWZRJJASA-N 1 0 502.593 1.308 1 0 KDAFRO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccccc2S(C)(=O)=O)cc1 ZINC000027104517 561839683 /nfs/dbraw/zinc/83/96/83/561839683.db2.gz MDFGJRBMAURVDS-LPHOPBHVSA-N 1 0 502.593 1.308 1 0 KDAFRO CC(C)C[C@@H]1C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 ZINC000027187452 561842858 /nfs/dbraw/zinc/84/28/58/561842858.db2.gz DWPNGIXRJQQAFI-LTWKBGODSA-N 1 0 744.938 1.728 1 0 KDAFRO NC(=[NH2+])c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)n1 ZINC000027189467 561843323 /nfs/dbraw/zinc/84/33/23/561843323.db2.gz UIISTVNNLVPUQN-SIKLNZKXSA-N 1 0 555.686 1.028 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c(F)c1 ZINC000027190067 561843423 /nfs/dbraw/zinc/84/34/23/561843423.db2.gz AKFVRQYUBPOVCL-UKILVPOCSA-N 1 0 566.659 1.711 1 0 KDAFRO NC(=[NH2+])N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3C(=O)OCC3CCCCC3)C2=O)[C@@H]1O ZINC000027196613 561844464 /nfs/dbraw/zinc/84/44/64/561844464.db2.gz RAZWOVWZXQATMU-DPZBCOQUSA-N 1 0 620.773 1.017 1 0 KDAFRO NC(=[NH2+])N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3C(=O)OCC3CCCCC3)C2=O)[C@H]1O ZINC000027196619 561844394 /nfs/dbraw/zinc/84/43/94/561844394.db2.gz RAZWOVWZXQATMU-NLJOTIRTSA-N 1 0 620.773 1.017 1 0 KDAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199308 561844760 /nfs/dbraw/zinc/84/47/60/561844760.db2.gz ZQBPDINJRGRTDJ-APIDWYLMSA-N 1 0 666.889 1.696 1 0 KDAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199314 561844795 /nfs/dbraw/zinc/84/47/95/561844795.db2.gz ZQBPDINJRGRTDJ-AZUPLVCYSA-N 1 0 666.889 1.696 1 0 KDAFRO COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027199732 561844876 /nfs/dbraw/zinc/84/48/76/561844876.db2.gz IDYCGGAEUOLTTN-WBHRADKISA-N 1 0 659.894 1.969 1 0 KDAFRO COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027199739 561844881 /nfs/dbraw/zinc/84/48/81/561844881.db2.gz IDYCGGAEUOLTTN-DPXUFRLUSA-N 1 0 659.894 1.969 1 0 KDAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(N)=O)SC1(C)C ZINC000027200658 561845083 /nfs/dbraw/zinc/84/50/83/561845083.db2.gz UOMNATPTVGYJEJ-LUDYKOSASA-N 1 0 644.883 1.281 1 0 KDAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(N)=O)SC1(C)C ZINC000027200663 561845121 /nfs/dbraw/zinc/84/51/21/561845121.db2.gz UOMNATPTVGYJEJ-CJMQBAMTSA-N 1 0 644.883 1.281 1 0 KDAFRO CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200675 561845105 /nfs/dbraw/zinc/84/51/05/561845105.db2.gz VXAILNYGQSEVPN-VNWPYSKFSA-N 1 0 672.937 1.932 1 0 KDAFRO CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200681 561845072 /nfs/dbraw/zinc/84/50/72/561845072.db2.gz VXAILNYGQSEVPN-UDSRUNNLSA-N 1 0 672.937 1.932 1 0 KDAFRO CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200690 561845116 /nfs/dbraw/zinc/84/51/16/561845116.db2.gz VXAILNYGQSEVPN-MCNBTJAASA-N 1 0 672.937 1.932 1 0 KDAFRO CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200697 561845092 /nfs/dbraw/zinc/84/50/92/561845092.db2.gz VXAILNYGQSEVPN-WNJSPSCPSA-N 1 0 672.937 1.932 1 0 KDAFRO O=C(N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000027205343 561845879 /nfs/dbraw/zinc/84/58/79/561845879.db2.gz KUQRLGWOANPHCW-OUOPBPENSA-N 1 0 725.928 1.554 1 0 KDAFRO O=C(N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CN2CCC1CC2 ZINC000027205348 561845804 /nfs/dbraw/zinc/84/58/04/561845804.db2.gz KUQRLGWOANPHCW-NLSCPPDKSA-N 1 0 725.928 1.554 1 0 KDAFRO CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207158 561846104 /nfs/dbraw/zinc/84/61/04/561846104.db2.gz ORRSQVJMZHWXEE-UWSZERFLSA-N 1 0 660.926 1.980 1 0 KDAFRO CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207164 561846056 /nfs/dbraw/zinc/84/60/56/561846056.db2.gz ORRSQVJMZHWXEE-HQUBPGAVSA-N 1 0 660.926 1.980 1 0 KDAFRO CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207169 561846090 /nfs/dbraw/zinc/84/60/90/561846090.db2.gz ORRSQVJMZHWXEE-MKHSYKJOSA-N 1 0 660.926 1.980 1 0 KDAFRO CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207175 561846069 /nfs/dbraw/zinc/84/60/69/561846069.db2.gz ORRSQVJMZHWXEE-NQPPXCKOSA-N 1 0 660.926 1.980 1 0 KDAFRO CC(C)([NH3+])CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027207749 561846341 /nfs/dbraw/zinc/84/63/41/561846341.db2.gz ZSPUXSIPYOHJGU-WMPLLBGISA-N 1 0 715.889 1.113 1 0 KDAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CS(=O)(=O)CC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000027210981 561847214 /nfs/dbraw/zinc/84/72/14/561847214.db2.gz HVCZGORGJBCMOY-VMPREFPWSA-N 1 0 646.855 1.179 1 0 KDAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N2CC[NH2+]CC2)C(=O)NCCC2CCCCC2)cc1 ZINC000027210989 561847202 /nfs/dbraw/zinc/84/72/02/561847202.db2.gz OZSAPQOGXCROLD-CONSDPRKSA-N 1 0 651.853 1.627 1 0 KDAFRO CCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC1=O ZINC000027212611 561847558 /nfs/dbraw/zinc/84/75/58/561847558.db2.gz XKWMIPNLKJFKLK-PMUGGPHNSA-N 1 0 732.945 1.436 1 0 KDAFRO CC1(C)SC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(N)=O)N1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027305724 561849640 /nfs/dbraw/zinc/84/96/40/561849640.db2.gz UOSSMWCZZLPGFI-HFLBTKGNSA-N 1 0 617.772 1.882 1 0 KDAFRO CC1(C)SC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(N)=O)N1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027305728 561849648 /nfs/dbraw/zinc/84/96/48/561849648.db2.gz UOSSMWCZZLPGFI-KUXCXQDQSA-N 1 0 617.772 1.882 1 0 KDAFRO CC1(C)SC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(N)=O)N1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027306504 561849741 /nfs/dbraw/zinc/84/97/41/561849741.db2.gz BTJYLQHHMOJNBP-ZJZGAYNASA-N 1 0 567.712 1.146 1 0 KDAFRO CC1(C)SC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(N)=O)N1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027306510 561849816 /nfs/dbraw/zinc/84/98/16/561849816.db2.gz BTJYLQHHMOJNBP-NEWJYFPISA-N 1 0 567.712 1.146 1 0 KDAFRO CC1(C)OC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(N)=O)N1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027308468 561850258 /nfs/dbraw/zinc/85/02/58/561850258.db2.gz KFYZLWKPGNVHJO-HFLBTKGNSA-N 1 0 601.704 1.166 1 0 KDAFRO CC1(C)OC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(N)=O)N1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027308473 561850263 /nfs/dbraw/zinc/85/02/63/561850263.db2.gz KFYZLWKPGNVHJO-KUXCXQDQSA-N 1 0 601.704 1.166 1 0 KDAFRO CCOC(=O)CN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(N)=[NH2+])C1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1 ZINC000027308554 561850180 /nfs/dbraw/zinc/85/01/80/561850180.db2.gz KNLPYDUYVMRQCH-CYFREDJKSA-N 1 0 586.715 1.153 1 0 KDAFRO NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CSCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027308707 561850160 /nfs/dbraw/zinc/85/01/60/561850160.db2.gz BQZWGQLQEYSNLS-FICKONGGSA-N 1 0 589.718 1.104 1 0 KDAFRO NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027308712 561850222 /nfs/dbraw/zinc/85/02/22/561850222.db2.gz BQZWGQLQEYSNLS-YAOOYPAMSA-N 1 0 589.718 1.104 1 0 KDAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000027309033 561850390 /nfs/dbraw/zinc/85/03/90/561850390.db2.gz PKEOLSOHADTJNC-IRULUFEFSA-N 1 0 707.917 1.625 1 0 KDAFRO CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(N)=[NH2+])C1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027309971 561850471 /nfs/dbraw/zinc/85/04/71/561850471.db2.gz FFXXELZENRRABS-YGKRLXNZSA-N 1 0 614.769 1.789 1 0 KDAFRO CCOC(=O)C1CCN(C(=O)[C@H](CC(=O)NC[C@@H]2CCCN(C(N)=[NH2+])C2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000027309976 561850469 /nfs/dbraw/zinc/85/04/69/561850469.db2.gz IUZLAQGUBXPZCK-CPJSRVTESA-N 1 0 600.742 1.400 1 0 KDAFRO CCOC(=O)C1CCN(C(=O)[C@H](CC(=O)NC[C@H]2CCCN(C(N)=[NH2+])C2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000027309981 561850447 /nfs/dbraw/zinc/85/04/47/561850447.db2.gz IUZLAQGUBXPZCK-NLFFAJNJSA-N 1 0 600.742 1.400 1 0 KDAFRO CCCCN(CC(=O)OCC)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(N)=[NH2+])C1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027311466 561850824 /nfs/dbraw/zinc/85/08/24/561850824.db2.gz FGEKTDPMDPPKAS-OFVILXPXSA-N 1 0 602.758 1.790 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)C[NH3+])C2 ZINC000027313803 561851182 /nfs/dbraw/zinc/85/11/82/561851182.db2.gz FRXULSOGAQLHDP-RQYFMHENSA-N 1 0 622.854 1.486 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)C[NH3+])C2 ZINC000027313809 561851197 /nfs/dbraw/zinc/85/11/97/561851197.db2.gz FRXULSOGAQLHDP-AIUIFLDSSA-N 1 0 622.854 1.486 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]([NH3+])CCS(N)(=O)=O)C2 ZINC000027317956 561852016 /nfs/dbraw/zinc/85/20/16/561852016.db2.gz ANDSYCDCWZVJBU-RLYAYYKLSA-N 1 0 566.790 1.613 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]([NH3+])CCS(N)(=O)=O)C2 ZINC000027317961 561852072 /nfs/dbraw/zinc/85/20/72/561852072.db2.gz ANDSYCDCWZVJBU-NFEIJPORSA-N 1 0 566.790 1.613 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2 ZINC000027321162 561852741 /nfs/dbraw/zinc/85/27/41/561852741.db2.gz FEPUOBDPUNRMJO-TVFROPFISA-N 1 0 593.812 1.812 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C2 ZINC000027321169 561852768 /nfs/dbraw/zinc/85/27/68/561852768.db2.gz FEPUOBDPUNRMJO-BXJOXRRUSA-N 1 0 593.812 1.812 1 0 KDAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H]([NH3+])CCC(N)=O)C2 ZINC000027321622 561852756 /nfs/dbraw/zinc/85/27/56/561852756.db2.gz JFORQSJIEQRPEO-SRYQUFAXSA-N 1 0 558.745 1.643 1 0 KDAFRO [NH3+]C[C@@H](O)CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCCN1c2ccccc2S(=O)(=O)CCC1=O ZINC000027326686 561853820 /nfs/dbraw/zinc/85/38/20/561853820.db2.gz VEMIDXUQTFOAQI-DNQXCXABSA-N 1 0 566.680 1.294 1 0 KDAFRO [NH3+]C[C@H](O)CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCCN1c2ccccc2S(=O)(=O)CCC1=O ZINC000027326691 561853817 /nfs/dbraw/zinc/85/38/17/561853817.db2.gz VEMIDXUQTFOAQI-BJKOFHAPSA-N 1 0 566.680 1.294 1 0 KDAFRO C[NH+](C)CCNc1nc(Cl)c(-c2cc(N)cc(C(=O)[O-])c2)n(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1=O ZINC000027407157 561855633 /nfs/dbraw/zinc/85/56/33/561855633.db2.gz KNWGESDAEULNCZ-UHFFFAOYSA-N 1 0 541.012 1.418 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC[NH3+])C(N)=O ZINC000027417571 561857329 /nfs/dbraw/zinc/85/73/29/561857329.db2.gz BWXRCFNZBHEVIO-ZTTXAYQISA-N 1 0 751.995 1.816 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC[NH3+])C(N)=O ZINC000027419768 561857590 /nfs/dbraw/zinc/85/75/90/561857590.db2.gz BWXRCFNZBHEVIO-PMUGGPHNSA-N 1 0 751.995 1.816 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC[NH3+])C1=O)C(N)=O ZINC000027423400 561858005 /nfs/dbraw/zinc/85/80/05/561858005.db2.gz YHTHZLNINQWFCI-RTMXLORFSA-N 1 0 737.968 1.425 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC[NH3+])C1=O)C(N)=O ZINC000027423405 561857994 /nfs/dbraw/zinc/85/79/94/561857994.db2.gz YHTHZLNINQWFCI-XDIGFQIYSA-N 1 0 737.968 1.425 1 0 KDAFRO O=C(NC1CC1)[C@H]1O[C@H](n2cnc3c2ncnc3NCCc2cn(CC[NH+]3CCCCC3)c3ccccc23)[C@H](O)[C@@H]1O ZINC000027426461 561858505 /nfs/dbraw/zinc/85/85/05/561858505.db2.gz LQFAEGMDAWKIMD-TUAOVVRQSA-N 1 0 574.686 1.819 1 0 KDAFRO CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)[NH3+])C(=O)N[C@@H](CC(C)C)C(N)=O ZINC000027428584 561858955 /nfs/dbraw/zinc/85/89/55/561858955.db2.gz PHONOBBRKWZBQB-SEPFQZFQSA-N 1 0 500.644 1.234 1 0 KDAFRO CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)[NH3+])C(N)=O ZINC000027430257 561859254 /nfs/dbraw/zinc/85/92/54/561859254.db2.gz PBTPMMOCCPQOJT-JNRZVTKQSA-N 1 0 613.804 1.909 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000027434118 561859878 /nfs/dbraw/zinc/85/98/78/561859878.db2.gz IYMFGKWBTDCWFY-CQJMVLFOSA-N 1 0 536.673 1.897 1 0 KDAFRO NC(=[NH2+])NCCCCCCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027438007 561860400 /nfs/dbraw/zinc/86/04/00/561860400.db2.gz LCEJEAOWCDKCBB-GMAHTHKFSA-N 1 0 546.694 1.020 1 0 KDAFRO CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000027443472 561861076 /nfs/dbraw/zinc/86/10/76/561861076.db2.gz MOCPWYCYSHAVDN-ISJGIBHGSA-N 1 0 520.634 1.042 1 0 KDAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3C[C@H]([NH3+])[C@@H](O)[C@@H](C)O3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000027518031 561861823 /nfs/dbraw/zinc/86/18/23/561861823.db2.gz CMBVKAAWPWZVBU-XDGSOJOTSA-N 1 0 529.542 1.954 1 0 KDAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3C[C@H](NCC[NH3+])[C@@H]5O[C@@H](C)OC[C@@H]5O3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000027518930 561862748 /nfs/dbraw/zinc/86/27/48/561862748.db2.gz BGXOOSKEEHRAOD-WSTMLLINSA-N 1 0 614.648 1.924 1 0 KDAFRO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)[NH3+])OC1=O ZINC000027521585 561863988 /nfs/dbraw/zinc/86/39/88/561863988.db2.gz IEMSYEBYMKGXDX-NWBQTEKMSA-N 1 0 683.851 1.957 1 0 KDAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)CC2)c2ccccc21 ZINC000027522611 561864524 /nfs/dbraw/zinc/86/45/24/561864524.db2.gz IELGNCJBBFMEBL-BJKOFHAPSA-N 1 0 550.685 1.347 1 0 KDAFRO CC(=O)N(CCc1c[nH]cn1)CC(=O)N(CC(=O)N(CCCC[NH3+])CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 ZINC000027522725 561864665 /nfs/dbraw/zinc/86/46/65/561864665.db2.gz YYBOUVZNKIGKBH-UHFFFAOYSA-N 1 0 685.830 1.435 1 0 KDAFRO CC(C)(CO)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)CO ZINC000027523988 561865399 /nfs/dbraw/zinc/86/53/99/561865399.db2.gz VIOAGXZZZUYDKF-QEGGNFSNSA-N 1 0 575.703 1.515 1 0 KDAFRO 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)(CO)CO ZINC000027523989 561865437 /nfs/dbraw/zinc/86/54/37/561865437.db2.gz CHMRPYLEKGNQDE-QEGGNFSNSA-N 1 0 575.703 1.515 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCO ZINC000027524074 561865445 /nfs/dbraw/zinc/86/54/45/561865445.db2.gz OEGSMOGDLUHIFP-CXSMSNRLSA-N 1 0 531.650 1.764 1 0 KDAFRO Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)n(C)c1 ZINC000027561462 561870713 /nfs/dbraw/zinc/87/07/13/561870713.db2.gz PSIWKEBXUHAKAJ-UHFFFAOYSA-N 1 0 575.634 1.436 1 0 KDAFRO NC([NH3+])c1ccc(C[C@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000027628233 561873531 /nfs/dbraw/zinc/87/35/31/561873531.db2.gz FCNOYFKCLVAMSK-DEOSSOPVSA-N 1 0 523.659 1.774 1 0 KDAFRO C[NH2+][C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C ZINC000027639831 561875158 /nfs/dbraw/zinc/87/51/58/561875158.db2.gz CZRITFDAPBAXMY-SMAWTLEESA-N 1 0 568.806 1.781 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000027640596 561875248 /nfs/dbraw/zinc/87/52/48/561875248.db2.gz BTZZBQIAACENPC-XFBWMNOSSA-N 1 0 656.784 1.262 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)[C@@H]([NH3+])CC(C)C)C(C)C ZINC000027652168 561876642 /nfs/dbraw/zinc/87/66/42/561876642.db2.gz PGJKABNIKSHPQV-VHJOFQCFSA-N 1 0 534.698 1.293 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H]([NH3+])CC(C)C)C(C)C ZINC000027654858 561877286 /nfs/dbraw/zinc/87/72/86/561877286.db2.gz PGJKABNIKSHPQV-LSBAASHUSA-N 1 0 534.698 1.293 1 0 KDAFRO Cn1c2ncn(C[C@@H](O)CN3CC[NH+](CCCSc4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000027709293 561879302 /nfs/dbraw/zinc/87/93/02/561879302.db2.gz GNYIKSUHWUTHSB-SFHVURJKSA-N 1 0 507.060 1.248 1 0 KDAFRO Cn1c2ncn(C[C@H](O)CN3CC[NH+](CCCSc4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000027709298 561879330 /nfs/dbraw/zinc/87/93/30/561879330.db2.gz GNYIKSUHWUTHSB-GOSISDBHSA-N 1 0 507.060 1.248 1 0 KDAFRO Cn1cnc2c1c(=O)n(C[C@@H](O)CN1CC[NH+](CCCSc3ccc(Cl)cc3)CC1)c(=O)n2C ZINC000027711884 561879800 /nfs/dbraw/zinc/87/98/00/561879800.db2.gz XXRNENREMVARCK-SFHVURJKSA-N 1 0 507.060 1.248 1 0 KDAFRO Cn1cnc2c1c(=O)n(C[C@H](O)CN1CC[NH+](CCCSc3ccc(Cl)cc3)CC1)c(=O)n2C ZINC000027711889 561879767 /nfs/dbraw/zinc/87/97/67/561879767.db2.gz XXRNENREMVARCK-GOSISDBHSA-N 1 0 507.060 1.248 1 0 KDAFRO Cn1c2ncn(CC[C@@H](O)CCN3CC[NH+](CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000027713640 561880025 /nfs/dbraw/zinc/88/00/25/561880025.db2.gz XVFKBUGEKYJKAM-FQEVSTJZSA-N 1 0 500.669 1.375 1 0 KDAFRO Cn1c2ncn(CC[C@H](O)CCN3CC[NH+](CCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000027713644 561880020 /nfs/dbraw/zinc/88/00/20/561880020.db2.gz XVFKBUGEKYJKAM-HXUWFJFHSA-N 1 0 500.669 1.375 1 0 KDAFRO CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000027724362 561880810 /nfs/dbraw/zinc/88/08/10/561880810.db2.gz BZRUPWYKAWYNCC-PGRDOPGGSA-N 1 0 561.661 1.389 1 0 KDAFRO CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000027725295 561880826 /nfs/dbraw/zinc/88/08/26/561880826.db2.gz ADJQHSQKTGJTKA-OAQYLSRUSA-N 1 0 547.634 1.000 1 0 KDAFRO COC(=O)[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)CN1CC[NH+](CCCSc2ccccc2)CC1 ZINC000027732560 561881435 /nfs/dbraw/zinc/88/14/35/561881435.db2.gz BLDZUAONVMCBGX-IBGZPJMESA-N 1 0 514.652 1.023 1 0 KDAFRO COC(=O)[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)CN1CC[NH+](CCCSc2ccccc2)CC1 ZINC000027732564 561881455 /nfs/dbraw/zinc/88/14/55/561881455.db2.gz BLDZUAONVMCBGX-LJQANCHMSA-N 1 0 514.652 1.023 1 0 KDAFRO CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CNC2=O)ccc1O ZINC000027735454 561881702 /nfs/dbraw/zinc/88/17/02/561881702.db2.gz WQCVKFYFRFRIGI-HJOGWXRNSA-N 1 0 551.688 1.188 1 0 KDAFRO CC(C)(C)Oc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc1 ZINC000027738411 561882231 /nfs/dbraw/zinc/88/22/31/561882231.db2.gz IVBGSMWJTGJTBC-GSDHBNRESA-N 1 0 565.715 1.752 1 0 KDAFRO CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O ZINC000027738810 561882198 /nfs/dbraw/zinc/88/21/98/561882198.db2.gz RRXAKVUZGASTMY-SDHOMARFSA-N 1 0 565.715 1.578 1 0 in-vitro KDAFRO CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O ZINC000027738826 561882207 /nfs/dbraw/zinc/88/22/07/561882207.db2.gz RRXAKVUZGASTMY-DSITVLBTSA-N 1 0 565.715 1.578 1 0 KDAFRO Cc1cc(OCCC[NH+]2CCN(C[C@@H](O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc(C)c1Cl ZINC000027740756 561882514 /nfs/dbraw/zinc/88/25/14/561882514.db2.gz CYJNGDXVJRQLLU-LJQANCHMSA-N 1 0 519.046 1.152 1 0 KDAFRO Cc1cc(OCCC[NH+]2CCN(C[C@H](O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc(C)c1Cl ZINC000027740763 561882529 /nfs/dbraw/zinc/88/25/29/561882529.db2.gz CYJNGDXVJRQLLU-IBGZPJMESA-N 1 0 519.046 1.152 1 0 KDAFRO CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCCNC2=O)ccc1O ZINC000027741119 561882505 /nfs/dbraw/zinc/88/25/05/561882505.db2.gz VOSZANSDDCFZDQ-GSDHBNRESA-N 1 0 579.742 1.968 1 0 KDAFRO CC[C@@H](C)Oc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc1 ZINC000027744469 561882834 /nfs/dbraw/zinc/88/28/34/561882834.db2.gz IFBIJTQXNNVYIS-FBZFJNBBSA-N 1 0 565.715 1.752 1 0 KDAFRO CC[C@H](C)Oc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc1 ZINC000027744478 561882782 /nfs/dbraw/zinc/88/27/82/561882782.db2.gz IFBIJTQXNNVYIS-ZYEMSUIVSA-N 1 0 565.715 1.752 1 0 KDAFRO Cn1c2ncn(C[C@@H](O)CN3CC[NH+](CCCCSc4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000027745922 561882941 /nfs/dbraw/zinc/88/29/41/561882941.db2.gz XNFAJGWNDMAUJW-IBGZPJMESA-N 1 0 521.087 1.638 1 0 KDAFRO Cn1c2ncn(C[C@H](O)CN3CC[NH+](CCCCSc4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000027745929 561882994 /nfs/dbraw/zinc/88/29/94/561882994.db2.gz XNFAJGWNDMAUJW-LJQANCHMSA-N 1 0 521.087 1.638 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027751375 561883266 /nfs/dbraw/zinc/88/32/66/561883266.db2.gz KHEVVSNYRUDYRN-RPWUZVMVSA-N 1 0 638.776 1.402 1 0 KDAFRO CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027755957 561883667 /nfs/dbraw/zinc/88/36/67/561883667.db2.gz VFMSUIZSWIDWPC-JBXUNAHCSA-N 1 0 539.677 1.435 1 0 KDAFRO CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccc(CO)cc1)OCCO3 ZINC000027759693 561883930 /nfs/dbraw/zinc/88/39/30/561883930.db2.gz QIEUCEQCSGDUDQ-LJAQVGFWSA-N 1 0 528.541 1.679 1 0 KDAFRO C[NH+](C)CCNC(=O)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 ZINC000027762042 561884108 /nfs/dbraw/zinc/88/41/08/561884108.db2.gz SIRONJQYMZPSKY-JSSFSXDKSA-N 1 0 693.849 1.854 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C1=O)C(=O)c1nccs1 ZINC000027763024 561884221 /nfs/dbraw/zinc/88/42/21/561884221.db2.gz CXNOWOFEXHGEMS-BJKOFHAPSA-N 1 0 625.777 1.359 1 0 KDAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cc3c(cc2c1C[n+]1cccc(CO)c1)OCO3 ZINC000027763164 561884363 /nfs/dbraw/zinc/88/43/63/561884363.db2.gz NXJYOFRZQLWWEV-NDEPHWFRSA-N 1 0 514.514 1.636 1 0 KDAFRO C[C@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027766155 561884593 /nfs/dbraw/zinc/88/45/93/561884593.db2.gz XEDWKSFZTLIHLE-GYZIEVATSA-N 1 0 585.705 1.754 1 0 KDAFRO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027766163 561884597 /nfs/dbraw/zinc/88/45/97/561884597.db2.gz XEDWKSFZTLIHLE-VYTSZGCMSA-N 1 0 585.705 1.754 1 0 KDAFRO C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027766171 561884562 /nfs/dbraw/zinc/88/45/62/561884562.db2.gz GHCQVWCTWHWODK-YTFADBMMSA-N 1 0 585.705 1.754 1 0 KDAFRO CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1cccc(CO)c1)OCCO3 ZINC000027766878 561884820 /nfs/dbraw/zinc/88/48/20/561884820.db2.gz YQTQKYSIMKEOPG-LJAQVGFWSA-N 1 0 528.541 1.679 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc3c(Cl)cccc32)CC1=O)C(=O)c1nccs1 ZINC000027769391 561885039 /nfs/dbraw/zinc/88/50/39/561885039.db2.gz WXSMCGMEOQRDFJ-LJQANCHMSA-N 1 0 606.130 1.414 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc3c(Cl)cccc32)CC1=O)C(=O)c1nccs1 ZINC000027769399 561885020 /nfs/dbraw/zinc/88/50/20/561885020.db2.gz WXSMCGMEOQRDFJ-IBGZPJMESA-N 1 0 606.130 1.414 1 0 KDAFRO 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/nfs/dbraw/zinc/88/58/36/561885836.db2.gz XEDWKSFZTLIHLE-YTFADBMMSA-N 1 0 585.705 1.754 1 0 KDAFRO C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027849515 561885889 /nfs/dbraw/zinc/88/58/89/561885889.db2.gz GHCQVWCTWHWODK-VRTFYRIBSA-N 1 0 585.705 1.754 1 0 KDAFRO C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027849525 561885820 /nfs/dbraw/zinc/88/58/20/561885820.db2.gz GHCQVWCTWHWODK-GYZIEVATSA-N 1 0 585.705 1.754 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O)C(=O)c1nccs1 ZINC000027852846 561886238 /nfs/dbraw/zinc/88/62/38/561886238.db2.gz CXNOWOFEXHGEMS-ZEQRLZLVSA-N 1 0 625.777 1.359 1 0 KDAFRO NC(=[NH2+])N1CCC(CC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)CC1 ZINC000027853320 561886223 /nfs/dbraw/zinc/88/62/23/561886223.db2.gz AOSMWCCQFQZLNO-QHCPKHFHSA-N 1 0 539.658 1.812 1 0 KDAFRO NC(=[NH2+])N1CCC(CC(=O)[C@@H]2Cc3cccc4c3N2C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CC4)CC1 ZINC000027854679 561886481 /nfs/dbraw/zinc/88/64/81/561886481.db2.gz XJJMRYCODRNFRY-GOTSBHOMSA-N 1 0 551.669 1.737 1 0 KDAFRO COc1ccc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)Cc3ccc(C(N)=[NH2+])cc3)C2=O)cc1OC ZINC000027855182 561886482 /nfs/dbraw/zinc/88/64/82/561886482.db2.gz BPQSFHAKWPDIHD-FQEVSTJZSA-N 1 0 502.593 1.459 1 0 KDAFRO C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027855322 561886498 /nfs/dbraw/zinc/88/64/98/561886498.db2.gz XEDWKSFZTLIHLE-VRTFYRIBSA-N 1 0 585.705 1.754 1 0 KDAFRO NC(=[NH2+])c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)c(F)c1 ZINC000027856914 561886593 /nfs/dbraw/zinc/88/65/93/561886593.db2.gz OBRCAKGVHQFHGX-NRFANRHFSA-N 1 0 502.568 1.516 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCNC(=O)[C@H](C)c1ccccc1 ZINC000027858904 561886741 /nfs/dbraw/zinc/88/67/41/561886741.db2.gz NZMUVZQBPZRLQJ-UXUXNBJMSA-N 1 0 559.667 1.488 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCNC(=O)[C@@H](C)c1ccccc1 ZINC000027858912 561886773 /nfs/dbraw/zinc/88/67/73/561886773.db2.gz NZMUVZQBPZRLQJ-BKJLSBSTSA-N 1 0 559.667 1.488 1 0 KDAFRO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027859266 561886889 /nfs/dbraw/zinc/88/68/89/561886889.db2.gz GHCQVWCTWHWODK-VYTSZGCMSA-N 1 0 585.705 1.754 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)c1ccccc1 ZINC000027859606 561886895 /nfs/dbraw/zinc/88/68/95/561886895.db2.gz IXNUYTIQYZDPDK-BIQRORRISA-N 1 0 573.694 1.830 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)c1ccccc1 ZINC000027859613 561886899 /nfs/dbraw/zinc/88/68/99/561886899.db2.gz IXNUYTIQYZDPDK-DEQMQSMYSA-N 1 0 573.694 1.830 1 0 KDAFRO NNC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000027861087 561887137 /nfs/dbraw/zinc/88/71/37/561887137.db2.gz KDIWEUGVPHFQBW-XMMPIXPASA-N 1 0 536.658 1.647 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000027862023 561887139 /nfs/dbraw/zinc/88/71/39/561887139.db2.gz IAHUOKQRHQWPKL-DJBPSZMOSA-N 1 0 589.737 1.695 1 0 KDAFRO COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCCN(CC(=O)Cc3ccc(C(N)=[NH2+])cc3)C2=O)c1 ZINC000027864101 561887469 /nfs/dbraw/zinc/88/74/69/561887469.db2.gz BSLKSADIJSFASQ-FQEVSTJZSA-N 1 0 502.593 1.459 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)c1ccccc1 ZINC000027865112 561887589 /nfs/dbraw/zinc/88/75/89/561887589.db2.gz PCURAURBJCXVDB-UXUXNBJMSA-N 1 0 559.667 1.488 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1 ZINC000027865120 561887542 /nfs/dbraw/zinc/88/75/42/561887542.db2.gz PCURAURBJCXVDB-BKJLSBSTSA-N 1 0 559.667 1.488 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)NC(=O)CC(=O)N[C@H](C)c1ccccc1 ZINC000027865797 561887742 /nfs/dbraw/zinc/88/77/42/561887742.db2.gz ZWXVQSQSGOUTCQ-UXUXNBJMSA-N 1 0 559.667 1.835 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)NC(=O)CC(=O)N[C@@H](C)c1ccccc1 ZINC000027865804 561887778 /nfs/dbraw/zinc/88/77/78/561887778.db2.gz ZWXVQSQSGOUTCQ-BKJLSBSTSA-N 1 0 559.667 1.835 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)NC(=O)CC(=O)NCc1ccccc1 ZINC000027865811 561887791 /nfs/dbraw/zinc/88/77/91/561887791.db2.gz DSJZMUBCTSMLIE-BQQUOAEZSA-N 1 0 545.640 1.274 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027867687 561887877 /nfs/dbraw/zinc/88/78/77/561887877.db2.gz DPGTZKNOQTXFIZ-DJBPSZMOSA-N 1 0 589.737 1.901 1 0 KDAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)Cc1ccccc1 ZINC000027867701 561887857 /nfs/dbraw/zinc/88/78/57/561887857.db2.gz WWBQWRHDYNYMJA-AIGMYPEUSA-N 1 0 559.667 1.269 1 0 KDAFRO NC(=[NH2+])CCNC(=O)c1cc(NC(=O)c2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CC4CC4)c3)[n-]n2)cn1CC1CC1 ZINC000027887163 561889575 /nfs/dbraw/zinc/88/95/75/561889575.db2.gz KZBLHAQWFYKFQP-UHFFFAOYSA-N 1 0 618.703 1.449 1 0 KDAFRO Cn1c2ccccc2nc1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21 ZINC000027891469 561889827 /nfs/dbraw/zinc/88/98/27/561889827.db2.gz YNTDJVDACAMARL-RSEQLOHWSA-N 1 0 586.697 1.339 1 0 KDAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000027901002 561891002 /nfs/dbraw/zinc/89/10/02/561891002.db2.gz UCMGNZDFXFVZPC-ACRUOGEOSA-N 1 0 511.648 1.774 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nc2c(s1)CCC2 ZINC000027981469 561891651 /nfs/dbraw/zinc/89/16/51/561891651.db2.gz HGZAKQZABFGBLF-BVSLBCMMSA-N 1 0 579.727 1.397 1 0 KDAFRO COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)CC[NH2+]CCCN(C)C)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000027993679 561893416 /nfs/dbraw/zinc/89/34/16/561893416.db2.gz CJASQSIGTKSMFJ-QABMSTFYSA-N 1 0 604.770 1.561 1 0 KDAFRO COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)CC[NH2+]CCCN(C)C)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000027993684 561893420 /nfs/dbraw/zinc/89/34/20/561893420.db2.gz CJASQSIGTKSMFJ-NGQVCNFZSA-N 1 0 604.770 1.561 1 0 KDAFRO C[S@@](=O)CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000027994218 561893468 /nfs/dbraw/zinc/89/34/68/561893468.db2.gz CJFCROIOTXWTIJ-UAVVGGRZSA-N 1 0 665.857 1.444 1 0 KDAFRO C[S@](=O)CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000027994227 561893428 /nfs/dbraw/zinc/89/34/28/561893428.db2.gz CJFCROIOTXWTIJ-UHACDFKTSA-N 1 0 665.857 1.444 1 0 KDAFRO C[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 ZINC000027999944 561894532 /nfs/dbraw/zinc/89/45/32/561894532.db2.gz CULPFBYRUJMQIZ-HZUNMJBFSA-N 1 0 635.787 1.237 1 0 KDAFRO C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 ZINC000027999949 561894582 /nfs/dbraw/zinc/89/45/82/561894582.db2.gz CULPFBYRUJMQIZ-XIZHQEGNSA-N 1 0 635.787 1.237 1 0 KDAFRO C[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S@](C)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 ZINC000027999955 561894594 /nfs/dbraw/zinc/89/45/94/561894594.db2.gz CULPFBYRUJMQIZ-HQWXXMRISA-N 1 0 635.787 1.237 1 0 KDAFRO C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S@](C)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 ZINC000027999960 561894551 /nfs/dbraw/zinc/89/45/51/561894551.db2.gz CULPFBYRUJMQIZ-HKHBQBQLSA-N 1 0 635.787 1.237 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028001499 561894784 /nfs/dbraw/zinc/89/47/84/561894784.db2.gz HIWBHOUAWWOBES-UHGSFDOBSA-N 1 0 720.937 1.933 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)c1ccccc1 ZINC000028001944 561894772 /nfs/dbraw/zinc/89/47/72/561894772.db2.gz VOPUJYANSMLOHO-HAHYNYIHSA-N 1 0 690.867 1.726 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)c1ccccc1 ZINC000028001946 561894858 /nfs/dbraw/zinc/89/48/58/561894858.db2.gz VOPUJYANSMLOHO-OYWMKBIDSA-N 1 0 690.867 1.726 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1 ZINC000028001951 561894780 /nfs/dbraw/zinc/89/47/80/561894780.db2.gz UXTHDYBXEPLQNY-SCXJKOOSSA-N 1 0 676.840 1.165 1 0 KDAFRO CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S@@](C)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028003077 561895084 /nfs/dbraw/zinc/89/50/84/561895084.db2.gz KGWSFJNQXKRONL-LRTGDZELSA-N 1 0 679.884 1.786 1 0 KDAFRO CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S@](C)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028003082 561895039 /nfs/dbraw/zinc/89/50/39/561895039.db2.gz KGWSFJNQXKRONL-HSOGBRMTSA-N 1 0 679.884 1.786 1 0 KDAFRO NC(=[NH2+])N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)[C@@H]1O ZINC000028007953 561895925 /nfs/dbraw/zinc/89/59/25/561895925.db2.gz RSMCTJCDYYJLAI-DHLKQENFSA-N 1 0 552.657 1.227 1 0 KDAFRO NC(=[NH2+])N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)[C@H]1O ZINC000028007957 561895976 /nfs/dbraw/zinc/89/59/76/561895976.db2.gz RSMCTJCDYYJLAI-WIOPSUGQSA-N 1 0 552.657 1.227 1 0 KDAFRO COC(=O)[C@@]12C[C@@H]1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1=CCC[NH2+]C1)C2 ZINC000028094038 561900566 /nfs/dbraw/zinc/90/05/66/561900566.db2.gz NWZQQORZNYUREQ-ALGPPTDUSA-N 1 0 603.805 1.910 1 0 KDAFRO COC(=O)[C@]12C[C@H]1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1=CCC[NH2+]C1)C2 ZINC000028094046 561900513 /nfs/dbraw/zinc/90/05/13/561900513.db2.gz NWZQQORZNYUREQ-IMXJSAMVSA-N 1 0 603.805 1.910 1 0 KDAFRO NC(=[NH2+])c1ccc(NC(=O)Nc2cccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)c2)cc1 ZINC000028098261 561901230 /nfs/dbraw/zinc/90/12/30/561901230.db2.gz DTIXVEPUPRSBCM-UHFFFAOYSA-N 1 0 502.578 1.741 1 0 KDAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@@H]4SC(N)=NC4=O)cc3)CC2)ccc1O ZINC000028106335 561902348 /nfs/dbraw/zinc/90/23/48/561902348.db2.gz HAZFWTCQZWZDRT-VXKWHMMOSA-N 1 0 533.676 1.555 1 0 KDAFRO CS(=O)(=O)Nc1cc([C@H](O)C[NH2+]C2CCN(c3ccc(C[C@@H]4SC(N)=NC4=O)cc3)CC2)ccc1O ZINC000028106341 561902350 /nfs/dbraw/zinc/90/23/50/561902350.db2.gz HAZFWTCQZWZDRT-YADHBBJMSA-N 1 0 533.676 1.555 1 0 KDAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@H]4SC(N)=NC4=O)cc3)CC2)ccc1O ZINC000028106346 561902353 /nfs/dbraw/zinc/90/23/53/561902353.db2.gz HAZFWTCQZWZDRT-FCHUYYIVSA-N 1 0 533.676 1.555 1 0 KDAFRO CS(=O)(=O)Nc1cc([C@H](O)C[NH2+]C2CCN(c3ccc(C[C@H]4SC(N)=NC4=O)cc3)CC2)ccc1O ZINC000028106353 561902367 /nfs/dbraw/zinc/90/23/67/561902367.db2.gz HAZFWTCQZWZDRT-FGZHOGPDSA-N 1 0 533.676 1.555 1 0 KDAFRO NC(=[NH2+])c1cccc(NC(=O)Nc2cccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)c2)c1 ZINC000028106570 561902370 /nfs/dbraw/zinc/90/23/70/561902370.db2.gz XCXQQTUGUZZFAI-UHFFFAOYSA-N 1 0 502.578 1.741 1 0 KDAFRO CNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc1cccc2c3c([nH]c21)[C@@H]1Oc2c4c(ccc2O)C[C@H]2[N@@H+](CC5CC5)CC[C@]41[C@@]2(O)C3 ZINC000028112706 561903222 /nfs/dbraw/zinc/90/32/22/561903222.db2.gz HPQUMPNGKGEXKQ-CZCCDBLPSA-N 1 0 656.740 1.270 1 0 KDAFRO Cc1cc(O)ccc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028116346 561903791 /nfs/dbraw/zinc/90/37/91/561903791.db2.gz ZPYMRXNXCMOBIW-DZUOILHNSA-N 1 0 585.705 1.502 1 0 KDAFRO CS(=O)(=O)CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000028118172 561904068 /nfs/dbraw/zinc/90/40/68/561904068.db2.gz AYZHJPKAKMQFQQ-HJOGWXRNSA-N 1 0 705.885 1.141 1 0 KDAFRO O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1)c1cccc2c1OCCO2 ZINC000028137103 561906762 /nfs/dbraw/zinc/90/67/62/561906762.db2.gz BYTLVIRPYQQIGD-UHFFFAOYSA-N 1 0 560.673 1.671 1 0 KDAFRO CCCN1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1 ZINC000028137936 561906914 /nfs/dbraw/zinc/90/69/14/561906914.db2.gz LDLMWCPPJGGOSB-UHFFFAOYSA-N 1 0 508.685 1.647 1 0 KDAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CC[NH2+]CC1 ZINC000028225304 561907898 /nfs/dbraw/zinc/90/78/98/561907898.db2.gz BGIJOXWSDSYECN-CLJLJLNGSA-N 1 0 529.645 1.579 1 0 KDAFRO Cn1cc(NC(=O)c2nc(NC(=O)CCCCOc3ccc4ccc(=O)oc4c3)cn2C)nc1C(=O)NCC[NH+](C)C ZINC000028228554 561908648 /nfs/dbraw/zinc/90/86/48/561908648.db2.gz WWHKAUNILCTSMK-UHFFFAOYSA-N 1 0 578.630 1.992 1 0 KDAFRO O=C(Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)N[C@@H](CC1CC[NH2+]CC1)C(=O)C(=O)NCc1ccccc1 ZINC000028233709 561909491 /nfs/dbraw/zinc/90/94/91/561909491.db2.gz IIVPRVZZJSGVHM-SANMLTNESA-N 1 0 593.706 1.550 1 0 KDAFRO O=C(CN1CCCC[C@@H](NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CC[NH2+]CC1)C(=O)C(=O)NCc1ccccc1 ZINC000028236305 561909770 /nfs/dbraw/zinc/90/97/70/561909770.db2.gz GZNIESCUBHGBRT-SXOMAYOGSA-N 1 0 611.765 1.247 1 0 KDAFRO O=C(CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CC[NH2+]CC1)C(=O)C(=O)NCc1ccccc1 ZINC000028236310 561909817 /nfs/dbraw/zinc/90/98/17/561909817.db2.gz GZNIESCUBHGBRT-SVBPBHIXSA-N 1 0 611.765 1.247 1 0 KDAFRO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)n(C)n1 ZINC000028248215 561910844 /nfs/dbraw/zinc/91/08/44/561910844.db2.gz XJFLKORTHMJIKC-UHFFFAOYSA-N 1 0 587.439 1.505 1 0 KDAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)/C=C/Cl)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028261670 561912171 /nfs/dbraw/zinc/91/21/71/561912171.db2.gz YUMGXLOODSCLPJ-GQCTYLIASA-N 1 0 542.000 1.954 1 0 KDAFRO C=C(F)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)n(C)c1 ZINC000028262286 561912290 /nfs/dbraw/zinc/91/22/90/561912290.db2.gz MITVYCCGLDPPQQ-UHFFFAOYSA-N 1 0 525.545 1.684 1 0 KDAFRO C=CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)n(C)c1 ZINC000028262292 561912315 /nfs/dbraw/zinc/91/23/15/561912315.db2.gz MQVSSSUNCJGWTI-UHFFFAOYSA-N 1 0 507.555 1.387 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028333815 561913092 /nfs/dbraw/zinc/91/30/92/561913092.db2.gz YYNCXEIEPLRPCR-DZUOILHNSA-N 1 0 586.689 1.881 1 0 in-vivo KDAFRO O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1)c1cccc2c1OCCO2 ZINC000028335225 561913160 /nfs/dbraw/zinc/91/31/60/561913160.db2.gz MNUQKQZKZVTDBZ-UHFFFAOYSA-N 1 0 624.757 1.765 1 0 KDAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2cc(OCC[n+]4cccc(CO)c4)ccc2nc1-3 ZINC000028336905 561913428 /nfs/dbraw/zinc/91/34/28/561913428.db2.gz ZYUZHVAZVIFBJX-NDEPHWFRSA-N 1 0 500.531 1.938 1 0 KDAFRO O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1)c1cccc2c1OCCO2 ZINC000028339771 561913852 /nfs/dbraw/zinc/91/38/52/561913852.db2.gz GWDQFGRJLZWPKB-UHFFFAOYSA-N 1 0 543.690 1.837 1 0 KDAFRO O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCN(Cc3cccnc3)CC2)CC1)c1cccc2c1OCCO2 ZINC000028340156 561913863 /nfs/dbraw/zinc/91/38/63/561913863.db2.gz AIQCZHCKKOQEPO-UHFFFAOYSA-N 1 0 557.717 1.832 1 0 KDAFRO CC(C)N1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1 ZINC000028343959 561914475 /nfs/dbraw/zinc/91/44/75/561914475.db2.gz JDOUMQWFBFWHEB-UHFFFAOYSA-N 1 0 508.685 1.646 1 0 KDAFRO NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028376766 561919367 /nfs/dbraw/zinc/91/93/67/561919367.db2.gz CSDFUNUUWSRLKF-NRFANRHFSA-N 1 0 615.510 1.718 1 0 KDAFRO NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028376772 561919346 /nfs/dbraw/zinc/91/93/46/561919346.db2.gz CSDFUNUUWSRLKF-OAQYLSRUSA-N 1 0 615.510 1.718 1 0 KDAFRO C[NH2+]CCNC(=O)[C@@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028377572 561919547 /nfs/dbraw/zinc/91/95/47/561919547.db2.gz MCGCQOMLXYBFEA-HXUWFJFHSA-N 1 0 603.499 1.621 1 0 KDAFRO C[NH2+]CCNC(=O)[C@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028377580 561919481 /nfs/dbraw/zinc/91/94/81/561919481.db2.gz MCGCQOMLXYBFEA-FQEVSTJZSA-N 1 0 603.499 1.621 1 0 KDAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)C[NH3+])cc1 ZINC000028377587 561919532 /nfs/dbraw/zinc/91/95/32/561919532.db2.gz QVNYDWFGTIRBQB-SFHVURJKSA-N 1 0 575.445 1.569 1 0 KDAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)C[NH3+])cc1 ZINC000028377593 561919524 /nfs/dbraw/zinc/91/95/24/561919524.db2.gz QVNYDWFGTIRBQB-GOSISDBHSA-N 1 0 575.445 1.569 1 0 KDAFRO C[NH+](C)CCNC(=O)[C@@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028381974 561920221 /nfs/dbraw/zinc/92/02/21/561920221.db2.gz JTRUWRXNSGTSAT-OAQYLSRUSA-N 1 0 617.526 1.964 1 0 KDAFRO C[NH+](C)CCNC(=O)[C@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028381979 561920245 /nfs/dbraw/zinc/92/02/45/561920245.db2.gz JTRUWRXNSGTSAT-NRFANRHFSA-N 1 0 617.526 1.964 1 0 KDAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000028382305 561920370 /nfs/dbraw/zinc/92/03/70/561920370.db2.gz KLEAPGWLGBRJQD-ILCIMEMOSA-N 1 0 591.750 1.537 1 0 KDAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000028382310 561920353 /nfs/dbraw/zinc/92/03/53/561920353.db2.gz KLEAPGWLGBRJQD-CDVQQUOUSA-N 1 0 591.750 1.537 1 0 KDAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000028382322 561920397 /nfs/dbraw/zinc/92/03/97/561920397.db2.gz KLEAPGWLGBRJQD-HRKPPWRHSA-N 1 0 591.750 1.537 1 0 KDAFRO C[NH+]1CCN(CCOC(=O)N2CCc3cc(S(=O)(=O)N4C[C@H](c5ccccc5)NC4=O)ccc32)CC1 ZINC000028457097 561924155 /nfs/dbraw/zinc/92/41/55/561924155.db2.gz ZSOGWUXBQKMIIU-JOCHJYFZSA-N 1 0 513.620 1.888 1 0 KDAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCC[NH3+])cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000028459361 561924856 /nfs/dbraw/zinc/92/48/56/561924856.db2.gz SRNJJIRFVVZVRD-KTJDEMTHSA-N 1 0 635.736 1.859 1 0 KDAFRO CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2C(=O)NCC(=O)OC)c1 ZINC000028470284 561926826 /nfs/dbraw/zinc/92/68/26/561926826.db2.gz HUQHMIWIONJISF-GOSISDBHSA-N 1 0 647.737 1.344 1 0 KDAFRO CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2C(=O)NCCN2CCOCC2)c1 ZINC000028470595 561926866 /nfs/dbraw/zinc/92/68/66/561926866.db2.gz YMLGGFFMAHXYRQ-JOCHJYFZSA-N 1 0 688.834 1.504 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028475449 561927889 /nfs/dbraw/zinc/92/78/89/561927889.db2.gz ZYJDFOJIXLVUKV-QZLCNWOESA-N 1 0 585.705 1.487 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028475452 561927924 /nfs/dbraw/zinc/92/79/24/561927924.db2.gz ZYJDFOJIXLVUKV-YTRKHUOHSA-N 1 0 585.705 1.487 1 0 KDAFRO NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028475455 561927884 /nfs/dbraw/zinc/92/78/84/561927884.db2.gz AFQIULRPBIPLLL-ZDHFQYEKSA-N 1 0 624.742 1.969 1 0 KDAFRO NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028475961 561928122 /nfs/dbraw/zinc/92/81/22/561928122.db2.gz AFQIULRPBIPLLL-XYMQPAMNSA-N 1 0 624.742 1.969 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028476803 561928214 /nfs/dbraw/zinc/92/82/14/561928214.db2.gz LBGGQIAZTSASMY-MYHRABSESA-N 1 0 583.689 1.496 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028476894 561928387 /nfs/dbraw/zinc/92/83/87/561928387.db2.gz ZWSMYALLYGLVNZ-KTBGKDHWSA-N 1 0 599.732 1.877 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028476940 561928394 /nfs/dbraw/zinc/92/83/94/561928394.db2.gz ZWSMYALLYGLVNZ-MZBLVXSRSA-N 1 0 599.732 1.877 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CCc1c[nH]cn1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028477946 561928729 /nfs/dbraw/zinc/92/87/29/561928729.db2.gz SBRWYSWQXKWUMO-STXQHDJLSA-N 1 0 572.714 1.867 1 0 KDAFRO NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028521303 561929288 /nfs/dbraw/zinc/92/92/88/561929288.db2.gz DGRPFFUHKKJWKX-SYKYGTKKSA-N 1 0 610.715 1.675 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC000028523379 561929983 /nfs/dbraw/zinc/92/99/83/561929983.db2.gz VABTXWAPWIRUJW-DALQOBCZSA-N 1 0 571.678 1.051 1 0 KDAFRO COc1ccccc1N1CC[NH+](CCCNc2nc3nc4c(c(=O)n(C)c(=O)n4C)n3cc2Br)CC1 ZINC000028524177 561930693 /nfs/dbraw/zinc/93/06/93/561930693.db2.gz GNPOCHWUDXCHTJ-UHFFFAOYSA-N 1 0 557.453 1.675 1 0 KDAFRO CCC[C@H](NC(=O)[C@@H]1C[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)Cc1cccc(c1)OCCCO2)C(=O)C(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000028566507 561936395 /nfs/dbraw/zinc/93/63/95/561936395.db2.gz WAPHEFLBNZZWES-QJUVDKAYSA-N 1 0 748.922 1.918 1 0 KDAFRO O=C1C[C@@H]([NH2+]C2CCS(=O)(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028637229 561941523 /nfs/dbraw/zinc/94/15/23/561941523.db2.gz UMSSCTNYYHRMNN-ODRDEDCPSA-N 1 0 712.873 1.706 1 0 KDAFRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 ZINC000028637235 561941551 /nfs/dbraw/zinc/94/15/51/561941551.db2.gz ABISVCMKGAFRBO-WNWUTZSISA-N 1 0 741.915 1.552 1 0 KDAFRO [NH3+]C1CCN([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 ZINC000028638946 561942403 /nfs/dbraw/zinc/94/24/03/561942403.db2.gz GEENKHJJSICYPD-ODRDEDCPSA-N 1 0 663.823 1.962 1 0 KDAFRO O=C1C[C@@H](N2CC[NH2+]CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028639073 561942426 /nfs/dbraw/zinc/94/24/26/561942426.db2.gz DETYPVYSWRSMQR-KYXYXWHUSA-N 1 0 649.796 1.444 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCCCCC[NH3+] ZINC000028639190 561942458 /nfs/dbraw/zinc/94/24/58/561942458.db2.gz JKBJCPFUZMWEMK-GMQQYTKMSA-N 1 0 581.714 1.427 1 0 in-vivo KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCCCCC[NH3+] ZINC000028639192 561942389 /nfs/dbraw/zinc/94/23/89/561942389.db2.gz JKBJCPFUZMWEMK-QKDODKLFSA-N 1 0 581.714 1.427 1 0 in-vivo KDAFRO CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000028640600 561942928 /nfs/dbraw/zinc/94/29/28/561942928.db2.gz YGANFPQYNROWMV-JSLVBRCRSA-N 1 0 600.805 1.544 1 0 KDAFRO Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028654435 561946482 /nfs/dbraw/zinc/94/64/82/561946482.db2.gz LJUZIHDRCVUPHL-DZUOILHNSA-N 1 0 585.705 1.502 1 0 in-vivo KDAFRO Cc1cc(C)cc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC000028654443 561946466 /nfs/dbraw/zinc/94/64/66/561946466.db2.gz WGUOAUNVYIRMQJ-KRCBVYEFSA-N 1 0 599.732 1.810 1 0 in-vivo KDAFRO Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028654452 561946478 /nfs/dbraw/zinc/94/64/78/561946478.db2.gz HJYUYBYISGYHKS-KRCBVYEFSA-N 1 0 599.732 1.810 1 0 in-vivo KDAFRO Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028654462 561946449 /nfs/dbraw/zinc/94/64/49/561946449.db2.gz NGVFBRDVYVEPFY-DZUOILHNSA-N 1 0 601.704 1.207 1 0 in-vivo KDAFRO Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028654466 561946464 /nfs/dbraw/zinc/94/64/64/561946464.db2.gz VSPCTLNQMKBUFW-ORYMTKCHSA-N 1 0 629.758 1.824 1 0 in-vivo KDAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 ZINC000028706106 561949334 /nfs/dbraw/zinc/94/93/34/561949334.db2.gz NVBPAVICVLEIOQ-XMMPIXPASA-N 1 0 560.076 1.286 1 0 KDAFRO COC(=O)Cc1ccc(CS(=O)(=O)N[C@@H](CCc2cccc[n+]2[O-])C(=O)NCC(=O)NCc2cc(Cl)ccc2C[NH3+])cc1 ZINC000028706136 561949517 /nfs/dbraw/zinc/94/95/17/561949517.db2.gz VLTCICOUAFFOFU-SANMLTNESA-N 1 0 632.139 1.001 1 0 KDAFRO COC(=O)Cc1ccc(CS(=O)(=O)N[C@H](CCc2cccc[n+]2[O-])C(=O)NCC(=O)NCc2cc(Cl)ccc2C[NH3+])cc1 ZINC000028706137 561949445 /nfs/dbraw/zinc/94/94/45/561949445.db2.gz VLTCICOUAFFOFU-AREMUKBSSA-N 1 0 632.139 1.001 1 0 KDAFRO C[C@H](NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000028706235 561949523 /nfs/dbraw/zinc/94/95/23/561949523.db2.gz LBXGHYJHILPXSW-UQBPGWFLSA-N 1 0 574.103 1.674 1 0 KDAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1 ZINC000028706238 561949449 /nfs/dbraw/zinc/94/94/49/561949449.db2.gz VBIGMNYDRZQFMG-RPBOFIJWSA-N 1 0 574.103 1.408 1 0 KDAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)[C@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1 ZINC000028706241 561949487 /nfs/dbraw/zinc/94/94/87/561949487.db2.gz VBIGMNYDRZQFMG-DQEYMECFSA-N 1 0 574.103 1.408 1 0 KDAFRO CCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000028706285 561949453 /nfs/dbraw/zinc/94/94/53/561949453.db2.gz OAQVACIWUZCUCP-PKTZIBPZSA-N 1 0 532.041 1.193 1 0 KDAFRO CCOC(=O)CN[C@H](CCc1ccccn1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000028706296 561949552 /nfs/dbraw/zinc/94/95/52/561949552.db2.gz UERHFNVGKAURME-PKTZIBPZSA-N 1 0 516.042 1.955 1 0 KDAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)[NH2+]CC(=O)[O-] ZINC000028706304 561949579 /nfs/dbraw/zinc/94/95/79/561949579.db2.gz ZPSJUJRQJVQURK-YADHBBJMSA-N 1 0 502.999 1.787 1 0 KDAFRO COc1ccc(C[C@H](NC(N)=[NH2+])C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000028712991 561953487 /nfs/dbraw/zinc/95/34/87/561953487.db2.gz QKBVJESURFKHSK-ORYMTKCHSA-N 1 0 666.783 1.502 1 0 in-vivo KDAFRO O=C(CN1CC(C[NH2+]Cc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)N[C@H]1CC(=O)O[C@H]1O ZINC000028713447 561953990 /nfs/dbraw/zinc/95/39/90/561953990.db2.gz IHEDPKWYVCBBNQ-ZBKIVJSUSA-N 1 0 556.619 1.637 1 0 KDAFRO O=C(CN1CC(C[NH2+]Cc2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000028713448 561953973 /nfs/dbraw/zinc/95/39/73/561953973.db2.gz IHEDPKWYVCBBNQ-LNFMTQTQSA-N 1 0 556.619 1.637 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028713944 561954152 /nfs/dbraw/zinc/95/41/52/561954152.db2.gz PHYKBLCQEUMTBM-LJWNLINESA-N 1 0 577.726 1.921 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028713945 561954211 /nfs/dbraw/zinc/95/42/11/561954211.db2.gz BTIMGNRTDKMFOL-MLCQCVOFSA-N 1 0 661.628 1.889 1 0 KDAFRO NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028713966 561954235 /nfs/dbraw/zinc/95/42/35/561954235.db2.gz VMWUZKICUCFNDG-MLCQCVOFSA-N 1 0 661.628 1.889 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000028755928 561955812 /nfs/dbraw/zinc/95/58/12/561955812.db2.gz RPVJYTILLBNREF-ILQYKGERSA-N 1 0 581.758 1.582 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000028755929 561955843 /nfs/dbraw/zinc/95/58/43/561955843.db2.gz RPVJYTILLBNREF-IBJNDKGOSA-N 1 0 581.758 1.582 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000028755931 561955864 /nfs/dbraw/zinc/95/58/64/561955864.db2.gz RPVJYTILLBNREF-AAMRELFESA-N 1 0 581.758 1.582 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000028755933 561955805 /nfs/dbraw/zinc/95/58/05/561955805.db2.gz RPVJYTILLBNREF-JSDGYEMZSA-N 1 0 581.758 1.582 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(C)C ZINC000028763866 561958919 /nfs/dbraw/zinc/95/89/19/561958919.db2.gz ONSDGSQYTZTOGO-XLIKFSOKSA-N 1 0 641.814 1.383 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CC=C[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(C)C ZINC000028765227 561959559 /nfs/dbraw/zinc/95/95/59/561959559.db2.gz HUPDLDFSMGXKKJ-FGYHSWKASA-N 1 0 568.719 1.798 1 0 KDAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(C)C)C(C)C ZINC000028765539 561959503 /nfs/dbraw/zinc/95/95/03/561959503.db2.gz CFEXIQJRXNWVLU-MLCQCVOFSA-N 1 0 504.672 1.932 1 0 KDAFRO CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O ZINC000028767208 561959986 /nfs/dbraw/zinc/95/99/86/561959986.db2.gz NAHCRFUJCSCBRC-XWDJFTLGSA-N 1 0 544.656 1.407 1 0 KDAFRO CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@H]1O ZINC000028767210 561959994 /nfs/dbraw/zinc/95/99/94/561959994.db2.gz NAHCRFUJCSCBRC-BVXNIFABSA-N 1 0 544.656 1.407 1 0 KDAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCC[NH3+])NC1=O ZINC000028823441 561968081 /nfs/dbraw/zinc/96/80/81/561968081.db2.gz NJQDGJVEBGAIQO-OUWCSBRQSA-N 1 0 551.688 1.479 1 0 KDAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CC[NH3+])NC1=O ZINC000028823443 561968072 /nfs/dbraw/zinc/96/80/72/561968072.db2.gz ISISZWCVQIEXQM-BFLUCZKCSA-N 1 0 539.677 1.009 1 0 KDAFRO CC(C)[NH2+]C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O ZINC000028823446 561968116 /nfs/dbraw/zinc/96/81/16/561968116.db2.gz KNBPGHPBDKIFEI-FULLSBAXSA-N 1 0 567.731 1.658 1 0 KDAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](C[NH3+])NC1=O ZINC000028823448 561968118 /nfs/dbraw/zinc/96/81/18/561968118.db2.gz WYYBCZKSXSIUBO-GIFXNVAJSA-N 1 0 544.096 1.566 1 0 KDAFRO 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/nfs/dbraw/zinc/97/02/69/561970269.db2.gz NRGTWQWBODIBNO-WOJBJXKFSA-N 1 0 513.624 1.175 1 0 KDAFRO CN(c1ccccc1CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)[NH3+])S(C)(=O)=O ZINC000028825070 561970252 /nfs/dbraw/zinc/97/02/52/561970252.db2.gz BZBGSSLDPMKZOZ-OAQYLSRUSA-N 1 0 529.667 1.813 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCc2ccccc2NS(C)(=O)=O)n1 ZINC000028825071 561970242 /nfs/dbraw/zinc/97/02/42/561970242.db2.gz CQAHZJYSVUUANW-OAQYLSRUSA-N 1 0 515.640 1.789 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1cc2ccccc2n1S(C)(=O)=O ZINC000028825072 561970327 /nfs/dbraw/zinc/97/03/27/561970327.db2.gz BYSGTBYTIYEXGG-OAQYLSRUSA-N 1 0 525.635 1.790 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2cc3ccccc3n2S(C)(=O)=O)n1 ZINC000028825074 561970377 /nfs/dbraw/zinc/97/03/77/561970377.db2.gz NUURNISWEQLCKY-OAQYLSRUSA-N 1 0 525.635 1.790 1 0 KDAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc2ccccc2s1 ZINC000028825185 561970495 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CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CCCC[C@@H]21 ZINC000028903337 561980128 /nfs/dbraw/zinc/98/01/28/561980128.db2.gz IAQAHRYWSCHKQI-VMAPGKTHSA-N 1 0 542.725 1.660 1 0 KDAFRO CC[C@@H](C)[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000028903398 561980306 /nfs/dbraw/zinc/98/03/06/561980306.db2.gz UVYOIYDMRJXPIF-VCFYHUQZSA-N 1 0 507.635 1.712 1 0 KDAFRO C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 ZINC000028949878 561981076 /nfs/dbraw/zinc/98/10/76/561981076.db2.gz PQIYKMRBYFHFMI-DBXWQHBBSA-N 1 0 542.687 1.809 1 0 KDAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCCn4cc(F)c(=O)[nH]c4=O)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028964025 561984676 /nfs/dbraw/zinc/98/46/76/561984676.db2.gz DUHFWYFMAXWASX-UHFFFAOYSA-N 1 0 665.687 1.061 1 0 KDAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCCCn4cc(F)c(=O)[nH]c4=O)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028964031 561984608 /nfs/dbraw/zinc/98/46/08/561984608.db2.gz NXGNVSNBOMCDTL-UHFFFAOYSA-N 1 0 679.714 1.451 1 0 KDAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCCCCn4cc(F)c(=O)[nH]c4=O)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028964036 561984680 /nfs/dbraw/zinc/98/46/80/561984680.db2.gz YXAHAGYBSACTEC-UHFFFAOYSA-N 1 0 693.741 1.841 1 0 KDAFRO CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000028965980 561985146 /nfs/dbraw/zinc/98/51/46/561985146.db2.gz YGANFPQYNROWMV-IRGGMKSGSA-N 1 0 600.805 1.544 1 0 KDAFRO CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000028965996 561985132 /nfs/dbraw/zinc/98/51/32/561985132.db2.gz YGANFPQYNROWMV-OFOQQJIRSA-N 1 0 600.805 1.544 1 0 KDAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc2nc(C)oc2C)c1 ZINC000029037429 561988552 /nfs/dbraw/zinc/98/85/52/561988552.db2.gz AQVZMNPLRDUERC-DOEKTCAHSA-N 1 0 602.710 1.818 1 0 KDAFRO CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000029039825 561990249 /nfs/dbraw/zinc/99/02/49/561990249.db2.gz GNWOYARHUGPZGJ-JBOQNHBVSA-N 1 0 595.700 1.814 1 0 in-vivo KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1cccc(Cl)c1Cl)c1nnnn1CCOC(=O)NCCCCO ZINC000029041201 561991102 /nfs/dbraw/zinc/99/11/02/561991102.db2.gz FHQOGHRARWSWER-MRXNPFEDSA-N 1 0 532.429 1.590 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1cc(Cl)cc(Cl)c1)c1nnnn1CCOC(=O)NCCCCO ZINC000029041203 561991089 /nfs/dbraw/zinc/99/10/89/561991089.db2.gz LOIWNZQCRWUOEH-QGZVFWFLSA-N 1 0 532.429 1.590 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1C(F)(F)F)c1nnnn1CCOC(=O)NCCCCO ZINC000029041205 561991098 /nfs/dbraw/zinc/99/10/98/561991098.db2.gz ZBLWXAFGNLSPLE-QGZVFWFLSA-N 1 0 531.536 1.302 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1cccc(C(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO ZINC000029041207 561991097 /nfs/dbraw/zinc/99/10/97/561991097.db2.gz KGWCNSANNHPZDB-QGZVFWFLSA-N 1 0 531.536 1.302 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1cccc(OC(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO ZINC000029041211 561991088 /nfs/dbraw/zinc/99/10/88/561991088.db2.gz CMRKGEBBJQGAKL-QGZVFWFLSA-N 1 0 547.535 1.182 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccc(OC(F)(F)F)cc1)c1nnnn1CCOC(=O)NCCCCO ZINC000029041213 561991106 /nfs/dbraw/zinc/99/11/06/561991106.db2.gz KWEMKFUHLVVNJF-QGZVFWFLSA-N 1 0 547.535 1.182 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnnn1CCOC(=O)NCCCCO ZINC000029041222 561991086 /nfs/dbraw/zinc/99/10/86/561991086.db2.gz LRUNVTIDYBFRJM-HSZRJFAPSA-N 1 0 539.637 1.950 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1-c1cccnc1)c1nnnn1CCOC(=O)NCCCCO ZINC000029041224 561991111 /nfs/dbraw/zinc/99/11/11/561991111.db2.gz CDZQCMRLZSUPOR-JOCHJYFZSA-N 1 0 540.625 1.345 1 0 KDAFRO Cc1noc(C)c1-c1ccccc1COC[C@@H](NC(=O)C(C)(C)[NH3+])c1nnnn1CCOC(=O)NCCCCO ZINC000029041226 561991104 /nfs/dbraw/zinc/99/11/04/561991104.db2.gz KUAOIHUYEOGKQH-OAQYLSRUSA-N 1 0 558.640 1.555 1 0 KDAFRO COc1cc(CC(=O)N(C)[C@H](C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC ZINC000029042867 561991602 /nfs/dbraw/zinc/99/16/02/561991602.db2.gz OYKLNAZLUWSWNL-XZOQPEGZSA-N 1 0 547.674 1.534 1 0 KDAFRO COc1cc(CC(=O)N(C)[C@H](C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC ZINC000029042944 561991818 /nfs/dbraw/zinc/99/18/18/561991818.db2.gz HYJLRKAZCMRYMO-BJKOFHAPSA-N 1 0 560.717 1.449 1 0 KDAFRO COc1cc(CC(=O)N(C)[C@H](C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC ZINC000029043125 561991984 /nfs/dbraw/zinc/99/19/84/561991984.db2.gz AYXBNYKLMQACAJ-LEWJYISDSA-N 1 0 505.637 1.763 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1cccc(C(=O)NCCCCO)c1 ZINC000029048737 561993728 /nfs/dbraw/zinc/99/37/28/561993728.db2.gz LRVBICNGRVVVTN-HSZRJFAPSA-N 1 0 539.637 1.366 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1ccccc1C(=O)NCCCCO ZINC000029048850 561993884 /nfs/dbraw/zinc/99/38/84/561993884.db2.gz NBBGSGXKOWXVHN-JOCHJYFZSA-N 1 0 539.637 1.366 1 0 KDAFRO CN(CCc1cccc(S(=O)(=O)CCO)c1)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)[NH3+] ZINC000029049004 561993863 /nfs/dbraw/zinc/99/38/63/561993863.db2.gz YXOJBJFFNKMVSU-RUZDIDTESA-N 1 0 615.757 1.032 1 0 KDAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(O)c1 ZINC000029049171 561993892 /nfs/dbraw/zinc/99/38/92/561993892.db2.gz FCXLPELOSVAJAY-JOCHJYFZSA-N 1 0 509.611 1.629 1 0 KDAFRO CN(CCc1cccc(O)c1)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)[NH3+] ZINC000029049179 561993897 /nfs/dbraw/zinc/99/38/97/561993897.db2.gz MFUYJSLHEVIPMZ-HSZRJFAPSA-N 1 0 523.638 1.971 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000029125444 561997631 /nfs/dbraw/zinc/99/76/31/561997631.db2.gz ITDFXEZJNBDSBN-FCHUYYIVSA-N 1 0 605.787 1.649 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000029125473 561997637 /nfs/dbraw/zinc/99/76/37/561997637.db2.gz BGBJLVHKOHYLME-MNAPGUCWSA-N 1 0 723.699 1.855 1 0 in-vitro KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000029125478 561997613 /nfs/dbraw/zinc/99/76/13/561997613.db2.gz KHEVVSNYRUDYRN-BJKOFHAPSA-N 1 0 638.776 1.402 1 0 KDAFRO Cc1ncn(CC(=O)NCC(C)(C)[NH3+])c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125500 561997621 /nfs/dbraw/zinc/99/76/21/561997621.db2.gz ZIOISBSNHJZBRR-UHFFFAOYSA-N 1 0 500.625 1.505 1 0 KDAFRO CC(C)[C@H](NC(=O)C(=O)c1cccc(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000029125559 561997719 /nfs/dbraw/zinc/99/77/19/561997719.db2.gz NZMZDRVEUJTADA-HOTGVXAUSA-N 1 0 507.016 1.751 1 0 in-vitro KDAFRO NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nccs1 ZINC000029125865 561998079 /nfs/dbraw/zinc/99/80/79/561998079.db2.gz GEWZSDPSDAIQLU-RPWUZVMVSA-N 1 0 638.776 1.402 1 0 KDAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)[C@@H](C)CC ZINC000029127106 561999415 /nfs/dbraw/zinc/99/94/15/561999415.db2.gz QJFOVAIMOHEKJN-PXQJOHHUSA-N 1 0 572.817 1.040 1 0 KDAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)[C@@H](C)CC ZINC000029127262 561999680 /nfs/dbraw/zinc/99/96/80/561999680.db2.gz AMTHLVPXVAHWJU-FQJIPJFPSA-N 1 0 584.828 1.136 1 0 KDAFRO NC(=[NH2+])NCCCCNC(=O)c1ccc2cc(NC(=O)CN3c4ccccc4C(=O)N4C[C@H](O)C[C@H]4C3=O)ccc2c1 ZINC000029134883 562004334 /nfs/dbraw/zinc/00/43/34/562004334.db2.gz ISNWXFLPYIPNNU-RDGATRHJSA-N 1 0 571.638 1.394 1 0 KDAFRO NC(=O)CC[N@@H+]1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 ZINC000029216806 562006656 /nfs/dbraw/zinc/00/66/56/562006656.db2.gz CHAPJCSKENISSM-OYBFMBOMSA-N 1 0 515.570 1.531 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C(F)=Cc2ccccc2)n[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029217162 562006742 /nfs/dbraw/zinc/00/67/42/562006742.db2.gz YBQUCTNLNCQMEY-GRFJALDFSA-N 1 0 731.834 1.783 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2cccs2)n[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029218147 562006861 /nfs/dbraw/zinc/00/68/61/562006861.db2.gz BCZMHFIGRPJDNE-JUIWSWHPSA-N 1 0 719.873 1.548 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029218302 562006831 /nfs/dbraw/zinc/00/68/31/562006831.db2.gz YTXAONJZBFMRPN-HJOGWXRNSA-N 1 0 613.163 1.765 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029218666 562006846 /nfs/dbraw/zinc/00/68/46/562006846.db2.gz JRXYVSJZJRYFQB-SDHOMARFSA-N 1 0 578.718 1.111 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029218747 562006838 /nfs/dbraw/zinc/00/68/38/562006838.db2.gz FGVKKDVWXHUIGH-HJOGWXRNSA-N 1 0 566.707 1.044 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029218752 562006863 /nfs/dbraw/zinc/00/68/63/562006863.db2.gz SUNBRECXNCCRSA-SDHOMARFSA-N 1 0 578.718 1.111 1 0 KDAFRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(N)=O ZINC000029219726 562007070 /nfs/dbraw/zinc/00/70/70/562007070.db2.gz HLYMALJGGSJXSQ-LRXAJSJSSA-N 1 0 660.816 1.187 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029219929 562007074 /nfs/dbraw/zinc/00/70/74/562007074.db2.gz FJPCONHYUPALMZ-SDHOMARFSA-N 1 0 578.718 1.111 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029219934 562007077 /nfs/dbraw/zinc/00/70/77/562007077.db2.gz MUWYOHZADJONTI-HJOGWXRNSA-N 1 0 567.691 1.309 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)C1=COc2ccccc2O1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029220667 562007073 /nfs/dbraw/zinc/00/70/73/562007073.db2.gz MAKVOVAORSALJW-SDHOMARFSA-N 1 0 633.750 1.715 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)nc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029221835 562007345 /nfs/dbraw/zinc/00/73/45/562007345.db2.gz OXMNAGDIOYACSK-HJOGWXRNSA-N 1 0 613.163 1.765 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029221840 562007369 /nfs/dbraw/zinc/00/73/69/562007369.db2.gz ZWDQCLLTEZPUKL-GSDHBNRESA-N 1 0 592.745 1.298 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029223435 562007589 /nfs/dbraw/zinc/00/75/89/562007589.db2.gz KSLLOGQVCHDWED-GSDHBNRESA-N 1 0 592.745 1.298 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)C=Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029223772 562007597 /nfs/dbraw/zinc/00/75/97/562007597.db2.gz GSMDQCNNWLNPSR-XBVLGBTFSA-N 1 0 604.756 1.511 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029224172 562007726 /nfs/dbraw/zinc/00/77/26/562007726.db2.gz GDYXGNMHNDTTER-QKDODKLFSA-N 1 0 629.766 1.659 1 0 KDAFRO CCOC(=O)CNC(=O)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 ZINC000029234678 562009518 /nfs/dbraw/zinc/00/95/18/562009518.db2.gz SZTDHZDMVLKTOM-QHCPKHFHSA-N 1 0 534.635 1.349 1 0 KDAFRO Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)n(C)c1 ZINC000029241799 562010226 /nfs/dbraw/zinc/01/02/26/562010226.db2.gz JIZIWJXHFAWHNY-UHFFFAOYSA-N 1 0 603.644 1.422 1 0 KDAFRO C=CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000029242995 562010363 /nfs/dbraw/zinc/01/03/63/562010363.db2.gz XMZWMEUICLNUHT-UHFFFAOYSA-N 1 0 629.682 1.978 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1 ZINC000029337046 562014554 /nfs/dbraw/zinc/01/45/54/562014554.db2.gz NSWUFKSJBNSHRP-ISKFKSNPSA-N 1 0 516.602 1.615 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1 ZINC000029337050 562014581 /nfs/dbraw/zinc/01/45/81/562014581.db2.gz NSWUFKSJBNSHRP-LADGPHEKSA-N 1 0 516.602 1.615 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000029340654 562015135 /nfs/dbraw/zinc/01/51/35/562015135.db2.gz VREKBHVPVINEDT-VWNXMTODSA-N 1 0 500.603 1.909 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000029340657 562015102 /nfs/dbraw/zinc/01/51/02/562015102.db2.gz VREKBHVPVINEDT-UPVQGACJSA-N 1 0 500.603 1.909 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C[C@@H]1CCC[NH2+]1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000029346646 562016337 /nfs/dbraw/zinc/01/63/37/562016337.db2.gz VTIQQUSGROXYBR-FWEHEUNISA-N 1 0 581.714 1.748 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C[C@H]1CCC[NH2+]1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000029346651 562016320 /nfs/dbraw/zinc/01/63/20/562016320.db2.gz VTIQQUSGROXYBR-WKAQUBQDSA-N 1 0 581.714 1.748 1 0 KDAFRO CCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)CO3)c(=O)c2ccc(C)nc21 ZINC000029389558 562017060 /nfs/dbraw/zinc/01/70/60/562017060.db2.gz QZZRKRHYYIHMTE-FIPFOOKPSA-N 1 0 669.739 1.756 1 0 KDAFRO CCN1C[C@@H](CNc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)nc21 ZINC000029390303 562017151 /nfs/dbraw/zinc/01/71/51/562017151.db2.gz NUNSPBDMVNESKJ-JUMFHWHPSA-N 1 0 657.772 1.920 1 0 KDAFRO CCN1C[C@H](CNc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)nc21 ZINC000029390306 562017138 /nfs/dbraw/zinc/01/71/38/562017138.db2.gz NUNSPBDMVNESKJ-ZBAJWAEMSA-N 1 0 657.772 1.920 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000029392100 562017557 /nfs/dbraw/zinc/01/75/57/562017557.db2.gz VREKBHVPVINEDT-ISKFKSNPSA-N 1 0 500.603 1.909 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000029392103 562017526 /nfs/dbraw/zinc/01/75/26/562017526.db2.gz VREKBHVPVINEDT-LADGPHEKSA-N 1 0 500.603 1.909 1 0 KDAFRO CCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)c(=O)c2ccc(C)nc21 ZINC000029393314 562017887 /nfs/dbraw/zinc/01/78/87/562017887.db2.gz QZZRKRHYYIHMTE-QDPGVEIFSA-N 1 0 669.739 1.756 1 0 KDAFRO CCN1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)nc21 ZINC000029395103 562018270 /nfs/dbraw/zinc/01/82/70/562018270.db2.gz JVWRCSCYWJKNMR-QPVYNBJUSA-N 1 0 671.755 1.447 1 0 KDAFRO CCN1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)nc21 ZINC000029395106 562018224 /nfs/dbraw/zinc/01/82/24/562018224.db2.gz JVWRCSCYWJKNMR-UIUQJESISA-N 1 0 671.755 1.447 1 0 KDAFRO CCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@H](CC[NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)CO3)c(=O)c2ccc(C)nc21 ZINC000029396205 562018609 /nfs/dbraw/zinc/01/86/09/562018609.db2.gz QZZRKRHYYIHMTE-NEKDWFFYSA-N 1 0 669.739 1.756 1 0 KDAFRO CCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)c(=O)c2ccc(C)nc21 ZINC000029400682 562019647 /nfs/dbraw/zinc/01/96/47/562019647.db2.gz QZZRKRHYYIHMTE-LXFBAYGMSA-N 1 0 669.739 1.756 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000029404597 562020425 /nfs/dbraw/zinc/02/04/25/562020425.db2.gz ASBWULHRWKPLNJ-RFCCKVQESA-N 1 0 670.808 1.282 1 0 KDAFRO NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C=CC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000029406646 562020826 /nfs/dbraw/zinc/02/08/26/562020826.db2.gz DEDGUNPNSQYCMN-CHQNGUEUSA-N 1 0 721.815 1.499 1 0 KDAFRO NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1C=CC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000029406651 562020821 /nfs/dbraw/zinc/02/08/21/562020821.db2.gz DEDGUNPNSQYCMN-RWSKJCERSA-N 1 0 721.815 1.499 1 0 KDAFRO NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000029407154 562020927 /nfs/dbraw/zinc/02/09/27/562020927.db2.gz PFKVNFAOBMPXFV-OLUZHXLYSA-N 1 0 723.831 1.723 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(O)COCC1(C)C ZINC000029411674 562021929 /nfs/dbraw/zinc/02/19/29/562021929.db2.gz YAATYGNLBWZOAJ-UXCFUVIDSA-N 1 0 585.742 1.949 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@]1(O)COCC1(C)C ZINC000029411678 562021907 /nfs/dbraw/zinc/02/19/07/562021907.db2.gz YAATYGNLBWZOAJ-YPGOOEOSSA-N 1 0 585.742 1.949 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)CO ZINC000029414820 562022616 /nfs/dbraw/zinc/02/26/16/562022616.db2.gz RRQOGIALSFHGDG-YPGOOEOSSA-N 1 0 587.758 1.931 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@](C)(O)C(C)(C)CO ZINC000029414823 562022653 /nfs/dbraw/zinc/02/26/53/562022653.db2.gz RRQOGIALSFHGDG-UXCFUVIDSA-N 1 0 587.758 1.931 1 0 KDAFRO NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000029414998 562022740 /nfs/dbraw/zinc/02/27/40/562022740.db2.gz PFKVNFAOBMPXFV-JFHPUIQFSA-N 1 0 723.831 1.723 1 0 KDAFRO COC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C=CC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000029416419 562022992 /nfs/dbraw/zinc/02/29/92/562022992.db2.gz JUVGFTIWKHIIEO-PKTZIBPZSA-N 1 0 575.622 1.069 1 0 KDAFRO COC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H]1C=CC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000029416423 562022987 /nfs/dbraw/zinc/02/29/87/562022987.db2.gz JUVGFTIWKHIIEO-DHIUTWEWSA-N 1 0 575.622 1.069 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)O ZINC000029416863 562022976 /nfs/dbraw/zinc/02/29/76/562022976.db2.gz WFIAGYYIXSDLDS-CXSMSNRLSA-N 1 0 529.678 1.932 1 0 KDAFRO NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 ZINC000029463436 562023518 /nfs/dbraw/zinc/02/35/18/562023518.db2.gz PFKVNFAOBMPXFV-RWSKJCERSA-N 1 0 723.831 1.723 1 0 KDAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](O)(CO)C(C)(C)C ZINC000029466358 562024385 /nfs/dbraw/zinc/02/43/85/562024385.db2.gz JDEIKUBOCBLEIF-UXCFUVIDSA-N 1 0 587.758 1.931 1 0 KDAFRO COc1cccc(OC)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029474148 562026062 /nfs/dbraw/zinc/02/60/62/562026062.db2.gz WLEPYPDSSKZOCJ-IPJJNNNSSA-O 1 0 530.579 1.047 1 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C[n+]1cc2ccccc2c(C(=O)NCCOC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c1 ZINC000029479243 562026859 /nfs/dbraw/zinc/02/68/59/562026859.db2.gz MVFXIDPRSHOPRP-ONBPZOJHSA-O 1 0 547.657 1.727 1 0 KDAFRO C[n+]1cc2ccccc2c(C(=O)NCCOC(=O)[C@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c1 ZINC000029479245 562026878 /nfs/dbraw/zinc/02/68/78/562026878.db2.gz MVFXIDPRSHOPRP-FKCDAAJZSA-O 1 0 547.657 1.727 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[NH3+])C(N)=O ZINC000029544493 562029324 /nfs/dbraw/zinc/02/93/24/562029324.db2.gz SDCUSWPPZCMQOD-XDIGFQIYSA-N 1 0 737.968 1.425 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000029545347 562029613 /nfs/dbraw/zinc/02/96/13/562029613.db2.gz WJFJFADCVKZJIW-JZVHMONDSA-N 1 0 723.941 1.035 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000029545350 562029600 /nfs/dbraw/zinc/02/96/00/562029600.db2.gz WJFJFADCVKZJIW-QKUYTOGTSA-N 1 0 723.941 1.035 1 0 KDAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H]([NH3+])Cc4cccs4)cc3)nc2c(=O)n(CCC)c1=O ZINC000029545373 562029607 /nfs/dbraw/zinc/02/96/07/562029607.db2.gz FICVAMDARDFVAN-NRFANRHFSA-N 1 0 581.699 1.616 1 0 KDAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H]([NH3+])Cc4cccs4)cc3)nc2c(=O)n(CCC)c1=O ZINC000029545376 562029597 /nfs/dbraw/zinc/02/95/97/562029597.db2.gz FICVAMDARDFVAN-OAQYLSRUSA-N 1 0 581.699 1.616 1 0 KDAFRO CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000029545832 562029785 /nfs/dbraw/zinc/02/97/85/562029785.db2.gz WJFJFADCVKZJIW-GKFQJYPJSA-N 1 0 723.941 1.035 1 0 KDAFRO CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000029545835 562029733 /nfs/dbraw/zinc/02/97/33/562029733.db2.gz WJFJFADCVKZJIW-STVCLKQXSA-N 1 0 723.941 1.035 1 0 KDAFRO CNC(=O)[C@H](CC(C)C)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000029546106 562029824 /nfs/dbraw/zinc/02/98/24/562029824.db2.gz PEVVIIOQJBFEQN-MRLKSMNNSA-N 1 0 646.833 1.935 1 0 KDAFRO CNC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000029546109 562029812 /nfs/dbraw/zinc/02/98/12/562029812.db2.gz PEVVIIOQJBFEQN-VUXROXARSA-N 1 0 646.833 1.935 1 0 KDAFRO CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)C)C(=O)C(F)(F)F ZINC000029550343 562030840 /nfs/dbraw/zinc/03/08/40/562030840.db2.gz FLXYSONLKOMQTB-BDTNDASRSA-N 1 0 583.652 1.996 1 0 KDAFRO CC(C)[C@H](NC(=O)c1ccc(C(=O)NCC[NH+](C)C)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029550347 562030814 /nfs/dbraw/zinc/03/08/14/562030814.db2.gz FLXYSONLKOMQTB-FKBYEOEOSA-N 1 0 583.652 1.996 1 0 KDAFRO CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)C)C(=O)C(F)(F)F ZINC000029550350 562030783 /nfs/dbraw/zinc/03/07/83/562030783.db2.gz FLXYSONLKOMQTB-VSKRKVRLSA-N 1 0 583.652 1.996 1 0 KDAFRO CC(C)[C@H](NC(=O)c1ccc(C(=O)NCC[NH+](C)C)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000029550354 562030797 /nfs/dbraw/zinc/03/07/97/562030797.db2.gz FLXYSONLKOMQTB-FSSWDIPSSA-N 1 0 583.652 1.996 1 0 KDAFRO NC(=O)CC[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029561414 562033308 /nfs/dbraw/zinc/03/33/08/562033308.db2.gz FLGOZEKGMQXOOG-FGUUHEIUSA-N 1 0 582.705 1.874 1 0 KDAFRO CCOc1c(CNS(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(C)=O)CC2)sc2ccccc21 ZINC000029563751 562033941 /nfs/dbraw/zinc/03/39/41/562033941.db2.gz XOYZUWIAQIHEQW-QFIPXVFZSA-N 1 0 586.740 1.810 1 0 KDAFRO CCOc1c(CNS(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(C)=O)CC2)sc2ccccc21 ZINC000029563755 562033926 /nfs/dbraw/zinc/03/39/26/562033926.db2.gz XOYZUWIAQIHEQW-JOCHJYFZSA-N 1 0 586.740 1.810 1 0 KDAFRO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC000029564802 562034205 /nfs/dbraw/zinc/03/42/05/562034205.db2.gz KXKATHUXLQOZQK-MZBLVXSRSA-N 1 0 714.909 1.461 1 0 KDAFRO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH3+] ZINC000029564806 562034243 /nfs/dbraw/zinc/03/42/43/562034243.db2.gz KXKATHUXLQOZQK-IIZANFQQSA-N 1 0 714.909 1.461 1 0 KDAFRO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC000029564809 562034164 /nfs/dbraw/zinc/03/41/64/562034164.db2.gz KXKATHUXLQOZQK-ABVIYVDXSA-N 1 0 714.909 1.461 1 0 KDAFRO CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH3+] ZINC000029564812 562034220 /nfs/dbraw/zinc/03/42/20/562034220.db2.gz KXKATHUXLQOZQK-VFFRCKCKSA-N 1 0 714.909 1.461 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cc(C)c(C)c(C)c2)CC1 ZINC000029565218 562034203 /nfs/dbraw/zinc/03/42/03/562034203.db2.gz VETCMGYWDYNKGA-XMMPIXPASA-N 1 0 528.679 1.122 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cc(C)c(C)c(C)c2)CC1 ZINC000029565222 562034230 /nfs/dbraw/zinc/03/42/30/562034230.db2.gz VETCMGYWDYNKGA-DEOSSOPVSA-N 1 0 528.679 1.122 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cccc(Oc3ccccc3)c2)CC1 ZINC000029565345 562034232 /nfs/dbraw/zinc/03/42/32/562034232.db2.gz HOJDOWLHFHPQEX-HHHXNRCGSA-N 1 0 578.695 1.989 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cccc(Oc3ccccc3)c2)CC1 ZINC000029565348 562034251 /nfs/dbraw/zinc/03/42/51/562034251.db2.gz HOJDOWLHFHPQEX-MHZLTWQESA-N 1 0 578.695 1.989 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccccc2-c2ccccc2)CC1 ZINC000029565720 562034300 /nfs/dbraw/zinc/03/43/00/562034300.db2.gz BXWDSIDVLPRCJI-HHHXNRCGSA-N 1 0 562.696 1.864 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccccc2-c2ccccc2)CC1 ZINC000029565724 562034322 /nfs/dbraw/zinc/03/43/22/562034322.db2.gz BXWDSIDVLPRCJI-MHZLTWQESA-N 1 0 562.696 1.864 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccc(-c3ccccc3)cc2)CC1 ZINC000029565728 562034314 /nfs/dbraw/zinc/03/43/14/562034314.db2.gz LDIDHZGAABTVTJ-HHHXNRCGSA-N 1 0 562.696 1.864 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccc(-c3ccccc3)cc2)CC1 ZINC000029565732 562034325 /nfs/dbraw/zinc/03/43/25/562034325.db2.gz LDIDHZGAABTVTJ-MHZLTWQESA-N 1 0 562.696 1.864 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccc(CCc3ccccc3)cc2)CC1 ZINC000029566298 562034466 /nfs/dbraw/zinc/03/44/66/562034466.db2.gz SNSOWDUYAYQCEY-GDLZYMKVSA-N 1 0 590.750 1.982 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccc(CCc3ccccc3)cc2)CC1 ZINC000029566302 562034418 /nfs/dbraw/zinc/03/44/18/562034418.db2.gz SNSOWDUYAYQCEY-LJAQVGFWSA-N 1 0 590.750 1.982 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cccc3ccccc32)CC1 ZINC000029566433 562034541 /nfs/dbraw/zinc/03/45/41/562034541.db2.gz GZASEUJKBNJCMX-RUZDIDTESA-N 1 0 536.658 1.350 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cccc3ccccc32)CC1 ZINC000029566437 562034523 /nfs/dbraw/zinc/03/45/23/562034523.db2.gz GZASEUJKBNJCMX-VWLOTQADSA-N 1 0 536.658 1.350 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccc3ccccc3c2)CC1 ZINC000029566441 562034536 /nfs/dbraw/zinc/03/45/36/562034536.db2.gz CDUVWMCPUYSPDK-RUZDIDTESA-N 1 0 536.658 1.350 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2ccc3ccccc3c2)CC1 ZINC000029566444 562034563 /nfs/dbraw/zinc/03/45/63/562034563.db2.gz CDUVWMCPUYSPDK-VWLOTQADSA-N 1 0 536.658 1.350 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000029567160 562034670 /nfs/dbraw/zinc/03/46/70/562034670.db2.gz FDYNRMIOCUTEKQ-MUUNZHRXSA-N 1 0 576.723 1.829 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000029567164 562034668 /nfs/dbraw/zinc/03/46/68/562034668.db2.gz FDYNRMIOCUTEKQ-NDEPHWFRSA-N 1 0 576.723 1.829 1 0 KDAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCN1CC[NH+]=C1N)C(=O)N1CCCCC1 ZINC000029567390 562034669 /nfs/dbraw/zinc/03/46/69/562034669.db2.gz DQOQFMOLZOCBPE-NRFANRHFSA-N 1 0 500.669 1.976 1 0 KDAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCN1CC[NH+]=C1N)C(=O)N1CCCCC1 ZINC000029567394 562034663 /nfs/dbraw/zinc/03/46/63/562034663.db2.gz DQOQFMOLZOCBPE-OAQYLSRUSA-N 1 0 500.669 1.976 1 0 KDAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC1=[NH+]CCN1)C(=O)N1CCCCC1 ZINC000029568833 562035009 /nfs/dbraw/zinc/03/50/09/562035009.db2.gz GMJUAQYTADWLFX-NRFANRHFSA-N 1 0 500.669 1.894 1 0 KDAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC1=[NH+]CCN1)C(=O)N1CCCCC1 ZINC000029568837 562035090 /nfs/dbraw/zinc/03/50/90/562035090.db2.gz GMJUAQYTADWLFX-OAQYLSRUSA-N 1 0 500.669 1.894 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCCc2ccc3ccccc3c2)CC1 ZINC000029569370 562035311 /nfs/dbraw/zinc/03/53/11/562035311.db2.gz IUOZWKHGIWDPIQ-AREMUKBSSA-N 1 0 550.685 1.392 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCCc2ccc3ccccc3c2)CC1 ZINC000029569373 562035321 /nfs/dbraw/zinc/03/53/21/562035321.db2.gz IUOZWKHGIWDPIQ-SANMLTNESA-N 1 0 550.685 1.392 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cccc3cc(O)ccc32)CC1 ZINC000029569689 562035340 /nfs/dbraw/zinc/03/53/40/562035340.db2.gz KDFQPHUNAXDYRA-RUZDIDTESA-N 1 0 552.657 1.055 1 0 KDAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cccc3cc(O)ccc32)CC1 ZINC000029569692 562035264 /nfs/dbraw/zinc/03/52/64/562035264.db2.gz KDFQPHUNAXDYRA-VWLOTQADSA-N 1 0 552.657 1.055 1 0 KDAFRO COc1ccc2c(cccc2CNS(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000029569694 562035344 /nfs/dbraw/zinc/03/53/44/562035344.db2.gz XWQDQAGISKGZOD-SANMLTNESA-N 1 0 566.684 1.358 1 0 KDAFRO COc1ccc2c(cccc2CNS(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000029569696 562035320 /nfs/dbraw/zinc/03/53/20/562035320.db2.gz XWQDQAGISKGZOD-AREMUKBSSA-N 1 0 566.684 1.358 1 0 KDAFRO CCOC(=O)CC[C@@H](NC(=O)c1ccc(N2CCN(c3c(C)[nH+]c(N)nc3N)CC2)cc1)C(=O)OCC ZINC000031895374 562036568 /nfs/dbraw/zinc/03/65/68/562036568.db2.gz WVSLQHBCGPJMOC-LJQANCHMSA-N 1 0 513.599 1.281 1 0 KDAFRO COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c(C)c1 ZINC000033991999 562037953 /nfs/dbraw/zinc/03/79/53/562037953.db2.gz IYKMGIPOAICWMX-HSZRJFAPSA-N 1 0 508.685 1.188 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)C2(NC(=O)[C@H]([NH2+]CC(=O)[O-])C3CCCCC3)Cc3ccccc3C2)cc1 ZINC000034015795 562037928 /nfs/dbraw/zinc/03/79/28/562037928.db2.gz UZAYUOPBAIRPKQ-XMMPIXPASA-N 1 0 505.619 1.864 1 0 KDAFRO NC(=[NH2+])N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1 ZINC000034689147 562039494 /nfs/dbraw/zinc/03/94/94/562039494.db2.gz NWYOPISXRMNIBC-AHWVRZQESA-N 1 0 566.728 1.545 1 0 KDAFRO NC(=[NH2+])N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)CC1 ZINC000034689151 562039607 /nfs/dbraw/zinc/03/96/07/562039607.db2.gz PDEMEVQMULWWFA-ZEQRLZLVSA-N 1 0 552.701 1.503 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000034689250 562039820 /nfs/dbraw/zinc/03/98/20/562039820.db2.gz MGDHZAAGZWEIJU-CCMRYFRJSA-N 1 0 680.630 1.282 1 0 KDAFRO CS(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncc(C(=O)NCC[NH3+])c4)s3)c2)CC1 ZINC000034839914 562043818 /nfs/dbraw/zinc/04/38/18/562043818.db2.gz ACQFRIFMXKIEAE-UHFFFAOYSA-N 1 0 502.626 1.114 1 0 KDAFRO CCS(=O)(=O)c1ccc2c(c1)N(CCN1CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2 ZINC000034843800 562043756 /nfs/dbraw/zinc/04/37/56/562043756.db2.gz RHKBXXBUIGYJKK-UHFFFAOYSA-N 1 0 529.619 1.186 1 0 KDAFRO NC(=[NH2+])NCC[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 ZINC000036093435 562047179 /nfs/dbraw/zinc/04/71/79/562047179.db2.gz DQGQULXUCLXSSL-GMAHTHKFSA-N 1 0 563.700 1.215 1 0 KDAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000036160655 562048542 /nfs/dbraw/zinc/04/85/42/562048542.db2.gz UGLQNSFGWCGECE-AWBUAIGWSA-N 1 0 565.715 1.870 1 0 KDAFRO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NNC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000036160729 562048611 /nfs/dbraw/zinc/04/86/11/562048611.db2.gz NRDKWPNCPZCCBW-ZWEKWIFMSA-N 1 0 553.704 1.965 1 0 KDAFRO CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCCCCC[N@@H+]4C[C@H](O)[C@@H](O)[C@H](O)[C@H]4CO)cc3)o2)cc1 ZINC000036184818 562050436 /nfs/dbraw/zinc/05/04/36/562050436.db2.gz BJVMPACLHYCMPW-QEFMBMMRSA-N 1 0 588.727 1.673 1 0 KDAFRO CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000036184904 562050632 /nfs/dbraw/zinc/05/06/32/562050632.db2.gz NTQHQJQYFBCDLD-BRYGMPRLSA-N 1 0 559.708 1.098 1 0 KDAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000036215439 562051106 /nfs/dbraw/zinc/05/11/06/562051106.db2.gz LABQDBMZPVLBTI-LAJGZZDBSA-N 1 0 571.678 1.529 1 0 KDAFRO NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 ZINC000036216204 562051233 /nfs/dbraw/zinc/05/12/33/562051233.db2.gz UUUCKSPURQXDKV-YIPNQBBMSA-N 1 0 557.651 1.323 1 0 in-vivo KDAFRO NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 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CLTFAZZUUWSIAO-FWEHEUNISA-N 1 0 557.651 1.323 1 0 in-vivo KDAFRO O=Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CC3)[C@@H]2O6)cc1C=O ZINC000036221152 562051432 /nfs/dbraw/zinc/05/14/32/562051432.db2.gz IROYYIATGDSDTC-DJFCTAPQSA-N 1 0 559.619 1.496 1 0 KDAFRO CC(=O)O[C@H]1[C@@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4C)[C@H]2O6)O[C@@H](CO)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000036222013 562051650 /nfs/dbraw/zinc/05/16/50/562051650.db2.gz ASHAGZNARVRZGL-YVYGPJBTSA-N 1 0 589.663 1.451 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000036222021 562051584 /nfs/dbraw/zinc/05/15/84/562051584.db2.gz AODYBGGPJRWXMB-ZRRRQLBYSA-N 1 0 617.673 1.632 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000036222023 562051681 /nfs/dbraw/zinc/05/16/81/562051681.db2.gz AODYBGGPJRWXMB-QLEJCVMMSA-N 1 0 617.673 1.632 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000036222025 562051570 /nfs/dbraw/zinc/05/15/70/562051570.db2.gz AODYBGGPJRWXMB-NKKUTFBMSA-N 1 0 617.673 1.632 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000036222027 562051619 /nfs/dbraw/zinc/05/16/19/562051619.db2.gz AODYBGGPJRWXMB-ODVZVSRTSA-N 1 0 617.673 1.632 1 0 KDAFRO CCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCC[NH3+])cc4)cc3)nc2c(=O)n(CC)c1=O ZINC000036272167 562053151 /nfs/dbraw/zinc/05/31/51/562053151.db2.gz QRADBULGJNAUOV-UHFFFAOYSA-N 1 0 533.589 1.228 1 0 KDAFRO CC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285104 562053760 /nfs/dbraw/zinc/05/37/60/562053760.db2.gz URONERNFMHQUMD-OAQYLSRUSA-N 1 0 521.449 1.749 1 0 KDAFRO COCC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285123 562053827 /nfs/dbraw/zinc/05/38/27/562053827.db2.gz UZIGAJAPNOUWNH-OAQYLSRUSA-N 1 0 551.475 1.376 1 0 KDAFRO CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CCNC(N)=O)C1=O ZINC000036285675 562054298 /nfs/dbraw/zinc/05/42/98/562054298.db2.gz XTFDODQXHGKUJD-ZNZIZOMTSA-N 1 0 562.646 1.304 1 0 KDAFRO CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CCCNC(N)=O)C1=O ZINC000036285771 562054477 /nfs/dbraw/zinc/05/44/77/562054477.db2.gz CAPRWXCJSDCJMN-PVHODMMVSA-N 1 0 576.673 1.694 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)C2(NC(=O)[C@@H]([NH2+]CC(=O)[O-])C3CCCCC3)Cc3ccccc3C2)cc1 ZINC000036475990 562060850 /nfs/dbraw/zinc/06/08/50/562060850.db2.gz UZAYUOPBAIRPKQ-DEOSSOPVSA-N 1 0 505.619 1.864 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]21 ZINC000038139485 574414400 /nfs/dbraw/zinc/41/44/00/574414400.db2.gz OGCOHPMZUTVUAD-WMPKNUIOSA-N 1 0 575.710 1.954 1 0 endogenous,in-man KDAFRO CC(C)[C@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]21 ZINC000038139486 562062558 /nfs/dbraw/zinc/06/25/58/562062558.db2.gz OGCOHPMZUTVUAD-NHFZPNTRSA-N 1 0 575.710 1.954 1 0 endogenous,in-man KDAFRO CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)NCCCC[N+](C)(C)C)[C@H](c3ccc(O)cc3)N2C1=O ZINC000038144524 717125667 /nfs/dbraw/zinc/12/56/67/717125667.db2.gz PIFYBJQVXLOVIG-ZJZGAYNASA-O 1 0 516.663 1.058 1 0 KDAFRO COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c(C)c1 ZINC000038324294 562070866 /nfs/dbraw/zinc/07/08/66/562070866.db2.gz IYKMGIPOAICWMX-QHCPKHFHSA-N 1 0 508.685 1.188 1 0 KDAFRO COc1ccc2ncc(F)c(CC[N@@H+]3CC[C@H](NC(=O)c4ccc5c(n4)NC(=O)CS5)[C@H](O)C3)c2n1 ZINC000038522382 562072114 /nfs/dbraw/zinc/07/21/14/562072114.db2.gz KWMVNHTVXKACBG-MAUKXSAKSA-N 1 0 512.567 1.624 1 0 KDAFRO Cn1c2nc3n(c2c(=O)n(C)c1=O)CCCC(=O)N3CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000039183961 562072846 /nfs/dbraw/zinc/07/28/46/562072846.db2.gz XMYDBJGMIRIHSZ-UHFFFAOYSA-N 1 0 500.003 1.426 1 0 KDAFRO COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCC=Cc1c[nH]c(N)[nH+]1)=NO2 ZINC000040392494 562073705 /nfs/dbraw/zinc/07/37/05/562073705.db2.gz RPBHRSIJJYCYKG-PDUXPGBHSA-N 1 0 503.151 1.543 1 0 KDAFRO COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H]([NH2+][C@@H]1CO[C@H](O)[C@H](O)[C@@H]1O)CC2 ZINC000040455381 562077102 /nfs/dbraw/zinc/07/71/02/562077102.db2.gz QAFZZTPUJNDQFS-PKDMBSKBSA-N 1 0 505.589 1.477 1 0 KDAFRO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=[NH+]CCN3)[C@H]2SC1 ZINC000040465256 562077171 /nfs/dbraw/zinc/07/71/71/562077171.db2.gz RECYFZIFAPVULN-HYBUGGRVSA-N 1 0 506.584 1.969 1 0 KDAFRO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=[NH+]CCN3)[C@@H]2SC1 ZINC000040465257 562077197 /nfs/dbraw/zinc/07/71/97/562077197.db2.gz RECYFZIFAPVULN-YKSBVNFPSA-N 1 0 506.584 1.969 1 0 KDAFRO C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(ccc[n+]2C)c1 ZINC000040504383 562077663 /nfs/dbraw/zinc/07/76/63/562077663.db2.gz VADUNYXBZAYSHM-FHWLQOOXSA-O 1 0 506.583 1.927 1 0 KDAFRO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCC[NH3+])NCCOc2ccccc2/C=C/CNC1=O ZINC000040767186 562079657 /nfs/dbraw/zinc/07/96/57/562079657.db2.gz OMRBFPOTXKVBNW-FVQQHVHLSA-N 1 0 501.672 1.721 1 0 KDAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc(S(C)(=O)=O)c3)[C@H]21)C(C)(C)C ZINC000040848661 562080532 /nfs/dbraw/zinc/08/05/32/562080532.db2.gz ALJBEHLNJJTYSS-CEDHKZHLSA-N 1 0 506.669 1.338 1 0 KDAFRO CCN(CC)c1nc2c(nc(SCC(=O)NCCC[NH3+])n2CCNc2ncnc3nc[nH]c32)c(C)n1 ZINC000040867212 562081576 /nfs/dbraw/zinc/08/15/76/562081576.db2.gz FZIWIRCVGIWARM-UHFFFAOYSA-N 1 0 512.648 1.316 1 0 KDAFRO CCOC(=O)c1sc([N-]c2nc(N3CCN(CC[NH+](C)C)CC3)cc(N3CC[NH+](C)CC3)n2)nc1C ZINC000040953450 562086315 /nfs/dbraw/zinc/08/63/15/562086315.db2.gz INTLSFATTZEYKD-UHFFFAOYSA-N 1 0 517.704 1.597 1 0 KDAFRO [NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1C[C@H]2C(=O)c3cc4ccccc4cc3[C@H]2[C@@]12C(=O)CCc1ccccc12 ZINC000042802875 562087803 /nfs/dbraw/zinc/08/78/03/562087803.db2.gz QJIOPAVNMIETIF-JNUCQQLLSA-N 1 0 529.589 1.744 1 0 KDAFRO COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CCCCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000043070664 562645495 /nfs/dbraw/zinc/64/54/95/562645495.db2.gz QOZVOJAVOGWBBG-UHFFFAOYSA-N 1 0 516.108 1.873 1 0 KDAFRO CC(C)(C)[NH2+]C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)c1ccc(OCCO[N+](=O)[O-])cc1OCCO[N+](=O)[O-] ZINC000043073890 562645595 /nfs/dbraw/zinc/64/55/95/562645595.db2.gz JFURMLHRZJGOLV-SFHVURJKSA-N 1 0 630.633 1.541 1 0 KDAFRO COc1ccc2ncc(F)c(CC[N@@H+]3C[C@H](O)[C@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)C3)c2n1 ZINC000043102266 562645945 /nfs/dbraw/zinc/64/59/45/562645945.db2.gz GOHOWUAAORPINE-YJYMSZOUSA-N 1 0 516.961 1.782 1 0 KDAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C(N)=O ZINC000043178596 562646709 /nfs/dbraw/zinc/64/67/09/562646709.db2.gz RBIIKVXVYVANCQ-CUWPLCDZSA-N 1 0 524.106 1.745 1 0 in-vitro KDAFRO NC(=[NH2+])NCCNC(=O)c1cccc(CNC(=O)c2cc3c(c4c5cc(O)ccc5[nH]c42)C(=O)NC3=O)c1 ZINC000043203433 562646970 /nfs/dbraw/zinc/64/69/70/562646970.db2.gz BGRPMIZWXYBAFL-UHFFFAOYSA-N 1 0 513.514 1.053 1 0 KDAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3ccncc3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@@H]1O ZINC000043206645 562647076 /nfs/dbraw/zinc/64/70/76/562647076.db2.gz JLAXABGHGCBAGV-RBZFPXEDSA-N 1 0 514.455 1.736 1 0 KDAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3ccco3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@@H]1O ZINC000043206646 562647096 /nfs/dbraw/zinc/64/70/96/562647096.db2.gz QGMCXZMURXFXMP-WLRWDXFRSA-N 1 0 503.428 1.934 1 0 KDAFRO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 ZINC000043226816 562647179 /nfs/dbraw/zinc/64/71/79/562647179.db2.gz WVWCNNDRPSTJGK-YDPTYEFTSA-N 1 0 623.758 1.598 1 0 KDAFRO C[n+]1cc2ccccc2c(C(=O)NCCOC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@@H]3SC2(C)C)c1 ZINC000043780872 562650854 /nfs/dbraw/zinc/65/08/54/562650854.db2.gz MVFXIDPRSHOPRP-DXBVXKBHSA-O 1 0 547.657 1.727 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(OC)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000044265636 562652819 /nfs/dbraw/zinc/65/28/19/562652819.db2.gz MRTFDMPERRWNRO-NHMJMHHNSA-N 1 0 631.700 1.935 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(OC)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000044265640 562652830 /nfs/dbraw/zinc/65/28/30/562652830.db2.gz MRTFDMPERRWNRO-OUHYPISSSA-N 1 0 631.700 1.935 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(OC)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000044265643 562652809 /nfs/dbraw/zinc/65/28/09/562652809.db2.gz MRTFDMPERRWNRO-MSSFNPMDSA-N 1 0 631.700 1.935 1 0 KDAFRO COC(=O)[C@@H]1O[C@H](S[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(OC)c6c5[C@@]3(CC[N@@H+]4C)[C@H]2O6)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000044265647 562652780 /nfs/dbraw/zinc/65/27/80/562652780.db2.gz MRTFDMPERRWNRO-BLFDJKACSA-N 1 0 631.700 1.935 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000044281819 562653233 /nfs/dbraw/zinc/65/32/33/562653233.db2.gz ZWSMYALLYGLVNZ-MYOTWTRRSA-N 1 0 599.732 1.877 1 0 KDAFRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000044305512 562653476 /nfs/dbraw/zinc/65/34/76/562653476.db2.gz AXMWRKQKSXEZPQ-VCJXGGRGSA-N 1 0 584.677 1.188 1 0 in-vivo KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000044352196 562655070 /nfs/dbraw/zinc/65/50/70/562655070.db2.gz ZWSMYALLYGLVNZ-IIZANFQQSA-N 1 0 599.732 1.877 1 0 KDAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(C)=O)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000044358699 562655371 /nfs/dbraw/zinc/65/53/71/562655371.db2.gz IYOZNYWYRADTNN-CTZQYXLCSA-N 1 0 519.646 1.597 1 0 KDAFRO CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000044359594 562655511 /nfs/dbraw/zinc/65/55/11/562655511.db2.gz WEITVBLLGNOHNQ-DZUOILHNSA-N 1 0 585.705 1.454 1 0 in-vivo KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000044404559 562656472 /nfs/dbraw/zinc/65/64/72/562656472.db2.gz ZYJDFOJIXLVUKV-ZIUUJSQJSA-N 1 0 585.705 1.487 1 0 KDAFRO COc1ccc2nccc(N3CC[C@H]([NH2+]CCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1 ZINC000045167377 562658042 /nfs/dbraw/zinc/65/80/42/562658042.db2.gz GVMWCGUUIACVNB-HNNXBMFYSA-N 1 0 514.633 1.829 1 0 KDAFRO COc1ccc2nccc(N3CC[C@@H]([NH2+]CCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1 ZINC000045167379 562658058 /nfs/dbraw/zinc/65/80/58/562658058.db2.gz GVMWCGUUIACVNB-OAHLLOKOSA-N 1 0 514.633 1.829 1 0 KDAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCOC)cc3N(C)S(=O)(=O)CC2 ZINC000045168169 562658116 /nfs/dbraw/zinc/65/81/16/562658116.db2.gz JYLOXIWDKOALBH-UKILVPOCSA-N 1 0 528.675 1.921 1 0 KDAFRO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)OC(C)(C)C ZINC000045290741 562660346 /nfs/dbraw/zinc/66/03/46/562660346.db2.gz NBSIDSFDXXMEFM-ROUUACIJSA-N 1 0 507.636 1.814 1 0 KDAFRO COc1ccc2ncc(F)c(CC[N@@H+]3C[C@@H](O)[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)C3)c2n1 ZINC000045302948 562660721 /nfs/dbraw/zinc/66/07/21/562660721.db2.gz GOHOWUAAORPINE-ORAYPTAESA-N 1 0 516.961 1.782 1 0 KDAFRO COc1ccc2ncc(F)c(CC[N@H+]3C[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)[C@H](O)C3)c2n1 ZINC000045302949 562660725 /nfs/dbraw/zinc/66/07/25/562660725.db2.gz GOHOWUAAORPINE-BFUOFWGJSA-N 1 0 516.961 1.782 1 0 KDAFRO COc1ccc2ncc(OC)c(CC[N@@H+]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@H](O)C3)c2n1 ZINC000045322288 562661091 /nfs/dbraw/zinc/66/10/91/562661091.db2.gz ISPYXUPXIZNIIN-IEBWSBKVSA-N 1 0 510.620 1.854 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN(c1nc(Cl)nc2nc[nH]c21)C1CC1)C(=O)OCc1ccccc1 ZINC000045347272 562661570 /nfs/dbraw/zinc/66/15/70/562661570.db2.gz BGHIQLCMICVPIW-INIZCTEOSA-N 1 0 513.990 1.467 1 0 KDAFRO O=C(CCOCCOCCO)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000049036157 562663562 /nfs/dbraw/zinc/66/35/62/562663562.db2.gz QAJYBDGXYWALAF-NVSKSXHLSA-N 1 0 501.576 1.141 1 0 KDAFRO COCCOCCOCCC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000049036159 562663583 /nfs/dbraw/zinc/66/35/83/562663583.db2.gz JEFJENHEUSDUPU-CSZVXOJQSA-N 1 0 515.603 1.795 1 0 KDAFRO COCCOCCOCCNC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000049045932 562663659 /nfs/dbraw/zinc/66/36/59/562663659.db2.gz LHYJBQAAXHHMKT-CGNDNVFTSA-N 1 0 530.618 1.588 1 0 KDAFRO 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C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(N)=O ZINC000049833062 562687457 /nfs/dbraw/zinc/68/74/57/562687457.db2.gz KQJXXZXJHBEPSN-ZMJWJFPJSA-N 1 0 678.794 1.469 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000049841490 562688409 /nfs/dbraw/zinc/68/84/09/562688409.db2.gz VGMSMMKQRJOPQL-MCEBTLFFSA-N 1 0 683.810 1.331 1 0 in-vivo KDAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877889 562690312 /nfs/dbraw/zinc/69/03/12/562690312.db2.gz ZQBPDINJRGRTDJ-LUJPHCLQSA-N 1 0 666.889 1.696 1 0 KDAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877892 562690324 /nfs/dbraw/zinc/69/03/24/562690324.db2.gz ZQBPDINJRGRTDJ-SUFWOTQWSA-N 1 0 666.889 1.696 1 0 KDAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(CCCC(=O)[O-])CC2)c1 ZINC000049881570 562690907 /nfs/dbraw/zinc/69/09/07/562690907.db2.gz LJTPXVRRDJMQQT-DEOSSOPVSA-N 1 0 586.715 1.641 1 0 KDAFRO Cc1nc2c(=O)[nH]c1CCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC2 ZINC000049881733 562691097 /nfs/dbraw/zinc/69/10/97/562691097.db2.gz OPYRGHAICLCDBC-FLPLPDKSSA-N 1 0 712.852 1.719 1 0 KDAFRO 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)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049888613 562691342 /nfs/dbraw/zinc/69/13/42/562691342.db2.gz QTLYNHBYTKOXTE-UJJLLXECSA-N 1 0 589.767 1.515 1 0 KDAFRO 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)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049888614 562691323 /nfs/dbraw/zinc/69/13/23/562691323.db2.gz QTLYNHBYTKOXTE-NNZGACOVSA-N 1 0 589.767 1.515 1 0 KDAFRO 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)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049888615 562691344 /nfs/dbraw/zinc/69/13/44/562691344.db2.gz QTLYNHBYTKOXTE-RZZBKPFISA-N 1 0 589.767 1.515 1 0 KDAFRO 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)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049888616 562691327 /nfs/dbraw/zinc/69/13/27/562691327.db2.gz QTLYNHBYTKOXTE-AHIYGQAZSA-N 1 0 589.767 1.515 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049888776 562691465 /nfs/dbraw/zinc/69/14/65/562691465.db2.gz WAYPCKDSUVRAAV-ZDHFQYEKSA-N 1 0 624.742 1.969 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049898550 562692625 /nfs/dbraw/zinc/69/26/25/562692625.db2.gz WAYPCKDSUVRAAV-XYMQPAMNSA-N 1 0 624.742 1.969 1 0 KDAFRO Cc1nc2c(=O)[nH]c1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCC2 ZINC000049898707 562692764 /nfs/dbraw/zinc/69/27/64/562692764.db2.gz PKIXUVQMKAFFAC-FLPLPDKSSA-N 1 0 712.852 1.719 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049898860 562692960 /nfs/dbraw/zinc/69/29/60/562692960.db2.gz WAYPCKDSUVRAAV-GJIXZQFMSA-N 1 0 624.742 1.969 1 0 KDAFRO 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(N)=O)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000049933076 562694826 /nfs/dbraw/zinc/69/48/26/562694826.db2.gz YBVXCIFBRBBAEU-TZBZCGCVSA-N 1 0 641.759 1.927 1 0 KDAFRO CN(C)c1ccc2cc3c(cc2c1)C(=O)N(C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C3=O ZINC000049938011 562695037 /nfs/dbraw/zinc/69/50/37/562695037.db2.gz OHGKVUSMHZDAKH-CUPIEXAXSA-N 1 0 733.826 1.466 1 0 in-vivo KDAFRO CN(C)c1ccc2cc3c(cc2c1)C(=O)N(C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C3=O ZINC000049938014 562695051 /nfs/dbraw/zinc/69/50/51/562695051.db2.gz OHGKVUSMHZDAKH-HVRNLMOBSA-N 1 0 733.826 1.466 1 0 in-vivo KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000053021885 562696052 /nfs/dbraw/zinc/69/60/52/562696052.db2.gz BGZQUAAOKFNFJD-UKILVPOCSA-N 1 0 548.669 1.572 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)s1 ZINC000053021976 562696125 /nfs/dbraw/zinc/69/61/25/562696125.db2.gz VKXILAXXLKAJNT-NZQKXSOJSA-N 1 0 554.698 1.633 1 0 KDAFRO NC(=[NH2+])c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cs1 ZINC000053022015 562696118 /nfs/dbraw/zinc/69/61/18/562696118.db2.gz IYSZPZTWYCFAOQ-NZQKXSOJSA-N 1 0 554.698 1.633 1 0 KDAFRO CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2cc(Cl)ccc2OCc2cc(C)no2)[C@H](O)[C@@H]1[NH3+] ZINC000053165036 562696284 /nfs/dbraw/zinc/69/62/84/562696284.db2.gz PKUZHLZHLVHAIO-QYUDBREXSA-N 1 0 528.957 1.299 1 0 KDAFRO NC(=[NH2+])c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c1 ZINC000053174618 562696346 /nfs/dbraw/zinc/69/63/46/562696346.db2.gz UUUKGULTZHUAAI-JTHBVZDNSA-N 1 0 554.698 1.633 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000053227602 562696572 /nfs/dbraw/zinc/69/65/72/562696572.db2.gz WPBFUFSZAPUNPD-LTYLLROCSA-N 1 0 569.662 1.623 1 0 KDAFRO NC(=O)/C(=C/c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000053227603 562696600 /nfs/dbraw/zinc/69/66/00/562696600.db2.gz FXSPYKUYSUZEFV-LCYFZASWSA-N 1 0 569.662 1.623 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)CN2c3cc(C[C@@H]([NH3+])C(=O)[O-])ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 ZINC000053230541 562696676 /nfs/dbraw/zinc/69/66/76/562696676.db2.gz ZDAIRPLLDYCTQJ-DHIUTWEWSA-N 1 0 624.745 1.168 1 0 KDAFRO [NH3+]CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 ZINC000053276772 562697135 /nfs/dbraw/zinc/69/71/35/562697135.db2.gz RZELEQFOEREBLK-LOSJGSFVSA-N 1 0 592.672 1.616 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC000056828524 562697838 /nfs/dbraw/zinc/69/78/38/562697838.db2.gz BIERXFYJHDFLQZ-OSWHCFOWSA-N 1 0 624.742 1.922 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000056828526 562697818 /nfs/dbraw/zinc/69/78/18/562697818.db2.gz NLPFVHSFBAGUCS-ASVWTAOFSA-N 1 0 624.742 1.922 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000056828533 562697836 /nfs/dbraw/zinc/69/78/36/562697836.db2.gz BFEPZXGWESGXTC-DTXPUJKBSA-N 1 0 585.705 1.536 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000058468200 562697890 /nfs/dbraw/zinc/69/78/90/562697890.db2.gz TWZOVBGZHBHICO-JTHBVZDNSA-N 1 0 563.663 1.986 1 0 KDAFRO CCOC(=O)CN1CCN(c2ccnc(-n3ccnc3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000058491856 562698159 /nfs/dbraw/zinc/69/81/59/562698159.db2.gz HDVFZTUOHYYUBQ-IBGZPJMESA-N 1 0 507.551 1.151 1 0 KDAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)C1=O ZINC000058534703 562698705 /nfs/dbraw/zinc/69/87/05/562698705.db2.gz OAASGJCKICMUFQ-QKDODKLFSA-N 1 0 570.646 1.661 1 0 KDAFRO CC(C)[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 ZINC000058563703 562699428 /nfs/dbraw/zinc/69/94/28/562699428.db2.gz AHKOKCMJYKTRIE-HWBMXIPRSA-N 1 0 522.602 1.074 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC000058589872 562700281 /nfs/dbraw/zinc/70/02/81/562700281.db2.gz UADJBABTBBSBNY-ZXRKZBAXSA-N 1 0 596.688 1.142 1 0 KDAFRO CC(C)C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 ZINC000058590728 562700374 /nfs/dbraw/zinc/70/03/74/562700374.db2.gz AASZTKIVNWYIER-HJOGWXRNSA-N 1 0 536.629 1.465 1 0 KDAFRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)COC(=O)c1c(C)cccc1C ZINC000058591160 562700429 /nfs/dbraw/zinc/70/04/29/562700429.db2.gz CBTUHYUJRKOQPI-DTXPUJKBSA-N 1 0 672.783 1.958 1 0 KDAFRO COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCc1[nH]c(N)[nH+]c1-c1cc(O)c3[nH]cc(O)c(=O)c3c1O)=NO2 ZINC000058592530 562700643 /nfs/dbraw/zinc/70/06/43/562700643.db2.gz ZFABPBNMLSLYSF-XUZZJYLKSA-N 1 0 682.282 1.697 1 0 KDAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C1=O ZINC000058600040 562700837 /nfs/dbraw/zinc/70/08/37/562700837.db2.gz AHOYCYYSQHFBHB-AWCRTANDSA-N 1 0 642.709 1.942 1 0 KDAFRO 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ZINC000064447820 562705465 /nfs/dbraw/zinc/70/54/65/562705465.db2.gz AMMCWFCGMYRHDR-UHFFFAOYSA-N 1 0 511.542 1.738 1 0 KDAFRO NC(=[NH2+])NCCCNC(=O)c1cccc(CNC(=O)c2cc3c(c4c5cc(O)ccc5[nH]c42)C(=O)NC3=O)c1 ZINC000064448324 562705493 /nfs/dbraw/zinc/70/54/93/562705493.db2.gz XICGYQPBGCAONT-UHFFFAOYSA-N 1 0 527.541 1.443 1 0 KDAFRO CS(=O)(=O)c1ccc(N2C[C@@H]3CN(C(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)CCN3C2=O)cc1 ZINC000064454485 562705757 /nfs/dbraw/zinc/70/57/57/562705757.db2.gz ZSGLPLUJEISXOE-WBVHZDCISA-N 1 0 510.538 1.920 1 0 KDAFRO CS(=O)(=O)c1ccc(N2C[C@H]3CN(C(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)CCN3C2=O)cc1 ZINC000064454487 562705741 /nfs/dbraw/zinc/70/57/41/562705741.db2.gz ZSGLPLUJEISXOE-NVXWUHKLSA-N 1 0 510.538 1.920 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000064470219 562705802 /nfs/dbraw/zinc/70/58/02/562705802.db2.gz HEVKQILECXRYNK-AMEOFWRWSA-N 1 0 585.705 1.583 1 0 KDAFRO CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000064490673 562705890 /nfs/dbraw/zinc/70/58/90/562705890.db2.gz JNIRINMEIPOASN-IRGGMKSGSA-N 1 0 600.805 1.544 1 0 KDAFRO CC[N@@H+]1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000064491713 562705971 /nfs/dbraw/zinc/70/59/71/562705971.db2.gz DXECHRXVEUPWCB-HJQBREAZSA-N 1 0 572.699 1.064 1 0 biogenic,in-vitro KDAFRO CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000064491863 562705937 /nfs/dbraw/zinc/70/59/37/562705937.db2.gz JNIRINMEIPOASN-JSLVBRCRSA-N 1 0 600.805 1.544 1 0 KDAFRO CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O ZINC000064499319 562705998 /nfs/dbraw/zinc/70/59/98/562705998.db2.gz NUYYLCSCHSOVSC-XLIKFSOKSA-N 1 0 614.832 1.886 1 0 KDAFRO 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SCTXCONQPAACGL-CAVYSCNFSA-N 1 0 629.734 1.020 1 0 KDAFRO COc1ccc2nccc([C@@H](O)[C@@H]3C[C@H]4CC[N@@H+]3C[C@H]4c3cn([C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4CO)nn3)c2c1 ZINC000066100747 562711291 /nfs/dbraw/zinc/71/12/91/562711291.db2.gz RETJSRSIRQFISN-JNXDCYOJSA-N 1 0 589.653 1.426 1 0 KDAFRO CC[NH+](CC)CCCN1C(=O)C2=C(C1=O)[C@@H]1N(C)c3ccccc3[C@@]13C[C@H](CO)N(C(=O)CCC(=O)OC)C3=N2 ZINC000066128502 562712733 /nfs/dbraw/zinc/71/27/33/562712733.db2.gz BJROSGATEHYFKA-PQQFAYTJSA-N 1 0 551.644 1.056 1 0 KDAFRO CC[NH+](CC)CCCN1C(=O)C2=C(C1=O)[C@@H]1N(C)c3ccccc3[C@]13C[C@H](CO)N(C(=O)CCC(=O)OC)C3=N2 ZINC000066128503 562712749 /nfs/dbraw/zinc/71/27/49/562712749.db2.gz BJROSGATEHYFKA-GSUIZLOBSA-N 1 0 551.644 1.056 1 0 KDAFRO Cc1ccc2nnc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4nnc5ccc(C)cc5c4N)CC3)c(N)c2c1 ZINC000066251352 562714488 /nfs/dbraw/zinc/71/44/88/562714488.db2.gz ZLANCHSJHFPHIT-UHFFFAOYSA-N 1 0 570.702 1.912 1 0 KDAFRO 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504.632 1.707 1 0 KDAFRO COc1cc(CN2CCN(C(=O)C[NH2+][C@H]3CCN(S(=O)(=O)Cc4ccccc4)C3)CC2)cc(OC)c1 ZINC000071317327 562718134 /nfs/dbraw/zinc/71/81/34/562718134.db2.gz SGGHGIVMNRUIQL-QHCPKHFHSA-N 1 0 516.664 1.542 1 0 KDAFRO COc1cc(CN2CCN(C(=O)C[NH2+][C@H]3CCN(S(=O)(=O)Cc4ccccc4)C3)CC2)cc(OC)c1OC ZINC000071317333 562718138 /nfs/dbraw/zinc/71/81/38/562718138.db2.gz QZGKSOPWTHTOIU-QHCPKHFHSA-N 1 0 546.690 1.551 1 0 KDAFRO COC(=O)COc1ccc(C(N)=[NH2+])cc1CN1CC[C@@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O ZINC000071318024 562718405 /nfs/dbraw/zinc/71/84/05/562718405.db2.gz HHGGWCFPUIXQJD-JOCHJYFZSA-N 1 0 540.598 1.764 1 0 KDAFRO Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1 ZINC000071318171 562718388 /nfs/dbraw/zinc/71/83/88/562718388.db2.gz VWAPTRBPESSVKG-WZONZLPQSA-N 1 0 505.645 1.173 1 0 in-vivo KDAFRO Cc1ccccc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1 ZINC000071329318 562718868 /nfs/dbraw/zinc/71/88/68/562718868.db2.gz 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KDAFRO CC[C@H]1CN(c2ncc(C(=O)NCCO)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073141892 562733742 /nfs/dbraw/zinc/73/37/42/562733742.db2.gz IJOAZNLQEABXIN-HNNXBMFYSA-N 1 0 551.479 1.688 1 0 KDAFRO CC[C@H]1CN(c2ncc(C(=O)NC)nc2C)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073158459 562733954 /nfs/dbraw/zinc/73/39/54/562733954.db2.gz NWYHBSMAMGMIGZ-INIZCTEOSA-N 1 0 501.035 1.981 1 0 KDAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC(=O)CCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000073161173 562734112 /nfs/dbraw/zinc/73/41/12/562734112.db2.gz FFECDIPLJGSHMF-MOXFVITDSA-N 1 0 608.802 1.180 1 0 KDAFRO CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCC[NH3+])C1=O ZINC000073161442 562734137 /nfs/dbraw/zinc/73/41/37/562734137.db2.gz JHXHZLYNFQZEDP-LOSJGSFVSA-N 1 0 523.678 1.401 1 0 KDAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NCCNS(N)(=O)=O)nc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000073166130 562734480 /nfs/dbraw/zinc/73/44/80/562734480.db2.gz WROSYTKKBKLVOK-KRWDZBQOSA-N 1 0 616.139 1.079 1 0 KDAFRO Cc1c(CN2CCN(C(=O)C(C)(C)[NH3+])CC2)sc2c1nc(-c1cnc(N)nc1)nc2N1CCOCC1 ZINC000073166746 562734519 /nfs/dbraw/zinc/73/45/19/562734519.db2.gz IRYPRNBFNRSBFQ-UHFFFAOYSA-N 1 0 511.656 1.257 1 0 KDAFRO CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2[C@H](O)C(N)=O)CC1 ZINC000073167332 562734585 /nfs/dbraw/zinc/73/45/85/562734585.db2.gz NODKMARWCGQTPH-JXFKEZNVSA-N 1 0 565.506 1.548 1 0 KDAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NCCO)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073167334 562734574 /nfs/dbraw/zinc/73/45/74/562734574.db2.gz AQQKZOGAQKRTLT-AWEZNQCLSA-N 1 0 566.494 1.270 1 0 KDAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H]([C@H](O)CCC)C2=O)C1 ZINC000073168881 562734755 /nfs/dbraw/zinc/73/47/55/562734755.db2.gz XCHFFXDCKJJIKQ-APIVQFLDSA-N 1 0 525.637 1.908 1 0 KDAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NCCNS(N)(=O)=O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073196022 562735032 /nfs/dbraw/zinc/73/50/32/562735032.db2.gz SVAJYQABKBWDLH-IBGZPJMESA-N 1 0 614.604 1.454 1 0 KDAFRO NC(=[NH2+])NCCCCN(CC(N)=O)C(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)CC(=O)N1CCc1ccc(Cl)cc1 ZINC000073197389 562735338 /nfs/dbraw/zinc/73/53/38/562735338.db2.gz JAKAWTUQJXIPQP-XMMPIXPASA-N 1 0 618.566 1.785 1 0 KDAFRO NC(=[NH2+])NCCCCN(CC(N)=O)C(=O)C[C@H]1C(=O)N(CCc2ccc(Cl)cc2)CC(=O)N1CCc1ccc(Cl)cc1 ZINC000073197390 562735307 /nfs/dbraw/zinc/73/53/07/562735307.db2.gz JAKAWTUQJXIPQP-DEOSSOPVSA-N 1 0 618.566 1.785 1 0 KDAFRO COC(=O)[C@H](Cc1ccc(O[P@@]2(=O)CO[C@@H](Cn3cnc4c3ncnc4N)CO2)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC000073198340 562735689 /nfs/dbraw/zinc/73/56/89/562735689.db2.gz LZGNMGDSTGKYEJ-SRFVIWNXSA-N 1 0 561.536 1.237 1 0 KDAFRO COC(=O)[C@H](Cc1ccc(O[P@]2(=O)CO[C@@H](Cn3cnc4c3ncnc4N)CO2)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC000073198341 562735696 /nfs/dbraw/zinc/73/56/96/562735696.db2.gz LZGNMGDSTGKYEJ-FOHUYORDSA-N 1 0 561.536 1.237 1 0 KDAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)NCc2ccccc2S(C)(=O)=O)n1 ZINC000073198639 562735845 /nfs/dbraw/zinc/73/58/45/562735845.db2.gz DIMZQBHHGZYTEB-UHFFFAOYSA-N 1 0 514.612 1.526 1 0 KDAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)NCc1ccccc1S(C)(=O)=O ZINC000073198640 562735832 /nfs/dbraw/zinc/73/58/32/562735832.db2.gz UORSLUVMWSKPSM-UHFFFAOYSA-N 1 0 514.612 1.526 1 0 KDAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)NCc2cccc(S(C)(=O)=O)c2)n1 ZINC000073198641 562735843 /nfs/dbraw/zinc/73/58/43/562735843.db2.gz OEBKRANTGPQZKO-UHFFFAOYSA-N 1 0 514.612 1.526 1 0 KDAFRO CC(C)CNC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@]2(=O)CO[C@@H](Cn3cnc4c3ncnc4N)CO2)cc1 ZINC000073274912 562737274 /nfs/dbraw/zinc/73/72/74/562737274.db2.gz OXCKYLOMLFKZAC-DZUDMYPVSA-N 1 0 503.500 1.696 1 0 KDAFRO CC(C)CNC(=O)[C@@H]([NH3+])Cc1ccc(O[P@]2(=O)CO[C@@H](Cn3cnc4c3ncnc4N)CO2)cc1 ZINC000073274917 562737244 /nfs/dbraw/zinc/73/72/44/562737244.db2.gz OXCKYLOMLFKZAC-UHRBJGDPSA-N 1 0 503.500 1.696 1 0 KDAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]21)C(C)C ZINC000073386251 562738543 /nfs/dbraw/zinc/73/85/43/562738543.db2.gz SPSYCEMRUOEUCT-AYRKWDKNSA-N 1 0 561.683 1.612 1 0 KDAFRO 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)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000082140092 562739299 /nfs/dbraw/zinc/73/92/99/562739299.db2.gz QTLYNHBYTKOXTE-FNAMOMDESA-N 1 0 589.767 1.515 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)Cc2cccc(C(N)=[NH2+])c2)C(N)=O)cc1 ZINC000082140542 562739499 /nfs/dbraw/zinc/73/94/99/562739499.db2.gz UIENGWWOLUMKHC-YFFMWXFTSA-N 1 0 657.816 1.690 1 0 KDAFRO CCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CC[NH+](C)C)nc2c(=O)[nH]1 ZINC000082149200 562739642 /nfs/dbraw/zinc/73/96/42/562739642.db2.gz KYLOFMQLLNEPBT-UHFFFAOYSA-N 1 0 560.725 1.811 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(NC(N)=[NH2+])cc2)C(N)=O)cc1 ZINC000082149382 562739691 /nfs/dbraw/zinc/73/96/91/562739691.db2.gz KFGJOHPBPOWPIK-WOUHZNLUSA-N 1 0 658.804 1.782 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(C(N)=[NH2+])c2)C(N)=O)cc1 ZINC000082150611 562739871 /nfs/dbraw/zinc/73/98/71/562739871.db2.gz MFNJGEXWUGJDSC-YLILHFCZSA-N 1 0 643.789 1.761 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H](C)CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000082153103 562740174 /nfs/dbraw/zinc/74/01/74/562740174.db2.gz JQQLMXAGXGQMNN-BEOMHFIQSA-N 1 0 652.841 1.062 1 0 KDAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000082153623 562740207 /nfs/dbraw/zinc/74/02/07/562740207.db2.gz ZSPBTNNTDZGZFE-UHFFFAOYSA-N 1 0 514.612 1.526 1 0 KDAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)NCc2ccc(S(C)(=O)=O)cc2)n1 ZINC000082154553 562740360 /nfs/dbraw/zinc/74/03/60/562740360.db2.gz FHOUOPFUADDNIZ-UHFFFAOYSA-N 1 0 514.612 1.526 1 0 KDAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000082154559 562740362 /nfs/dbraw/zinc/74/03/62/562740362.db2.gz CJCQAEPQMMWDKO-UHFFFAOYSA-N 1 0 514.612 1.526 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(C(N)=[NH2+])cc2)C(N)=O)cc1 ZINC000082156544 562740718 /nfs/dbraw/zinc/74/07/18/562740718.db2.gz MXLBOGOIUKMSFP-BYNCPHGUSA-N 1 0 643.789 1.761 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)Cc2ccc(C(N)=[NH2+])cc2)C(N)=O)cc1 ZINC000082156550 562740727 /nfs/dbraw/zinc/74/07/27/562740727.db2.gz LGFWMVLBZNVCRR-FYCMLSSASA-N 1 0 657.816 1.690 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C)CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000082156555 562740750 /nfs/dbraw/zinc/74/07/50/562740750.db2.gz JQQLMXAGXGQMNN-QCAFYNMFSA-N 1 0 652.841 1.062 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@@H](C)[NH+](C)C)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]21 ZINC000082157260 562740835 /nfs/dbraw/zinc/74/08/35/562740835.db2.gz OGCOHPMZUTVUAD-FADZAQNWSA-N 1 0 575.710 1.954 1 0 KDAFRO Cn1cc(NC(=O)c2nc(NC(=O)c3ccccc3)cn2C)cc1C(=O)Nc1cn(C)c(C(=O)NCC[NH+](C)C)n1 ZINC000082157790 562741008 /nfs/dbraw/zinc/74/10/08/562741008.db2.gz ZZBPIDLUJJKZGR-UHFFFAOYSA-N 1 0 560.619 1.540 1 0 KDAFRO NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000084394817 562742939 /nfs/dbraw/zinc/74/29/39/562742939.db2.gz CNJRRYUNBVNZQF-LJWNLINESA-N 1 0 577.726 1.921 1 0 KDAFRO N[C@@H](CCCC[NH3+])C(=O)OC[C@H]1O[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000084523544 562743269 /nfs/dbraw/zinc/74/32/69/562743269.db2.gz PKSUULGPGVQTSW-SHSWAGTRSA-N 1 0 526.215 1.724 1 0 KDAFRO N[C@@H](CCCC[NH3+])C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000084523546 562743214 /nfs/dbraw/zinc/74/32/14/562743214.db2.gz PKSUULGPGVQTSW-JMDOCYRQSA-N 1 0 526.215 1.724 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]2[C@H](NC(=O)CCCCNC(N)=[NH2+])COC(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000084538212 562743299 /nfs/dbraw/zinc/74/32/99/562743299.db2.gz LOFBOXJTIYRTGW-WHIZXEAUSA-N 1 0 676.819 1.292 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]2[C@H](NC(=O)CCCCNC(N)=[NH2+])COC(=O)N12)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000084538214 562743322 /nfs/dbraw/zinc/74/33/22/562743322.db2.gz LOFBOXJTIYRTGW-BOJCFLQHSA-N 1 0 676.819 1.292 1 0 KDAFRO COC(=O)C[C@@H]1CC[C@H](Cc2ccccc2)NC(=O)CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N1 ZINC000084587391 562743505 /nfs/dbraw/zinc/74/35/05/562743505.db2.gz GRTWMANHJMWZAD-AHCIIZGASA-N 1 0 538.645 1.344 1 0 KDAFRO COC(=O)C[C@@H]1CC[C@H](Cc2ccccc2)NC(=O)CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N1 ZINC000084587392 562743510 /nfs/dbraw/zinc/74/35/10/562743510.db2.gz GRTWMANHJMWZAD-AANQFLQQSA-N 1 0 538.645 1.344 1 0 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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000085602840 562753321 /nfs/dbraw/zinc/75/33/21/562753321.db2.gz XKDWSRJMYYFZPW-NWVWQQAFSA-N 1 0 591.669 1.040 1 0 KDAFRO C[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000087613174 562753466 /nfs/dbraw/zinc/75/34/66/562753466.db2.gz DHTNDMXCZIAPMX-ZDXOVATRSA-N 1 0 512.615 1.469 1 0 in-vitro KDAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C(=O)NCCNC(=O)NCC[N@@H+]2CCc4ccccc4C2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000095535767 562753830 /nfs/dbraw/zinc/75/38/30/562753830.db2.gz QKZQMCZZTALODW-GTNDRLPTSA-N 1 0 776.899 1.913 1 0 KDAFRO NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1 ZINC000095536876 562754208 /nfs/dbraw/zinc/75/42/08/562754208.db2.gz FWDMWCQXNFZSCZ-PMUGGPHNSA-N 1 0 742.924 1.763 1 0 KDAFRO 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[NH3+]CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O ZINC000095538188 562754558 /nfs/dbraw/zinc/75/45/58/562754558.db2.gz KDGZTJLQBHKMFI-XYPUQJIVSA-N 1 0 778.911 1.090 1 0 KDAFRO [NH3+]CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000095538206 562754559 /nfs/dbraw/zinc/75/45/59/562754559.db2.gz KAQAQSQLQVJXLZ-LQWITFIISA-N 1 0 801.949 1.866 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000095539479 562755055 /nfs/dbraw/zinc/75/50/55/562755055.db2.gz KXRIOYLSJCAEGF-LEOAUMQFSA-N 1 0 799.974 1.296 1 0 KDAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCC[NH3+])NC(=O)[C@H]2CCC=NN2C1=O ZINC000095540780 562756005 /nfs/dbraw/zinc/75/60/05/562756005.db2.gz JDOMSHIFFAUNHK-FZTIRJJLSA-N 1 0 742.922 1.520 1 0 KDAFRO COC(=O)[C@@H]1C(CCc2ccccc2)=C[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(Cc3cc(F)ccc3F)c(=O)n21 ZINC000095541886 562756373 /nfs/dbraw/zinc/75/63/73/562756373.db2.gz HQQREVQTBOMVGU-DSPMFFIESA-N 1 0 787.821 1.607 1 0 KDAFRO COC(=O)[C@@H]1C(CCc2ccccc2)=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)n2c(=O)n(Cc3cc(F)ccc3F)c(=O)n21 ZINC000095541888 562756376 /nfs/dbraw/zinc/75/63/76/562756376.db2.gz HQQREVQTBOMVGU-ZDCRTTOTSA-N 1 0 787.821 1.607 1 0 KDAFRO CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095542198 562756556 /nfs/dbraw/zinc/75/65/56/562756556.db2.gz SOQTYOMLXYNHBC-CUPIEXAXSA-N 1 0 780.931 1.117 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCC[NH3+])[C@H]2C1=O)C(N)=O ZINC000095542556 562756813 /nfs/dbraw/zinc/75/68/13/562756813.db2.gz URIRKOHAMZPMCD-ZBFBRDKDSA-N 1 0 764.006 1.768 1 0 KDAFRO C[C@H](O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)CNC(=O)[C@@H](CCCC[NH3+])NC1=O ZINC000095542930 562756945 /nfs/dbraw/zinc/75/69/45/562756945.db2.gz KABSQTARCJMSCM-WFXHSEKNSA-N 1 0 808.981 1.238 1 0 KDAFRO NC(=O)[C@@H]1CSCSC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)N1 ZINC000095543411 562757229 /nfs/dbraw/zinc/75/72/29/562757229.db2.gz LTZRXOSQFJZWPG-PMUGGPHNSA-N 1 0 742.924 1.763 1 0 KDAFRO C[C@H](O)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O ZINC000095543599 562757396 /nfs/dbraw/zinc/75/73/96/562757396.db2.gz FHSGULRVYLHXFO-RMRSBZIBSA-N 1 0 806.965 1.134 1 0 KDAFRO CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095543845 562757508 /nfs/dbraw/zinc/75/75/08/562757508.db2.gz GCAXPOXPOKDUMZ-CUPIEXAXSA-N 1 0 815.376 1.770 1 0 KDAFRO COc1cc(COC(=O)CCOC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])c(C(=O)O[C@@H](C[NH2+]C(C)(C)C)COc2nsnc2N2CCOCC2)c(OC)c1 ZINC000095544040 562757586 /nfs/dbraw/zinc/75/75/86/562757586.db2.gz ZSOLSBQYIKUWDK-VXKWHMMOSA-N 1 0 746.749 1.620 1 0 KDAFRO COc1cc(COC(=O)CCOC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])c(C(=O)O[C@@H](C[NH2+]C(C)(C)C)COc2nsnc2N2CCOCC2)c(OC)c1 ZINC000095544041 562757593 /nfs/dbraw/zinc/75/75/93/562757593.db2.gz ZSOLSBQYIKUWDK-FCHUYYIVSA-N 1 0 746.749 1.620 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000095544196 562757655 /nfs/dbraw/zinc/75/76/55/562757655.db2.gz RYHITPRHAAWYLY-LAJGZZDBSA-N 1 0 555.679 1.488 1 0 KDAFRO CC(C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O ZINC000095545393 562758047 /nfs/dbraw/zinc/75/80/47/562758047.db2.gz NPJIOCBFOAHEDO-LNIIRVOPSA-N 1 0 808.981 1.971 1 0 in-vitro KDAFRO CC(C)[C@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O ZINC000095545415 562758028 /nfs/dbraw/zinc/75/80/28/562758028.db2.gz NPJIOCBFOAHEDO-HXQOOURISA-N 1 0 808.981 1.971 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545478 562758104 /nfs/dbraw/zinc/75/81/04/562758104.db2.gz NPVNOTIZHSHLKZ-YRCZKMHPSA-N 1 0 818.361 1.122 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545486 562758129 /nfs/dbraw/zinc/75/81/29/562758129.db2.gz AUPOJQYWSLXSAP-CUPIEXAXSA-N 1 0 796.333 1.503 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]2[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3ccccc3)COC(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095548818 562759539 /nfs/dbraw/zinc/75/95/39/562759539.db2.gz PIWPJJGIXYYWAN-XUVLUQBSSA-N 1 0 795.942 1.701 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]2[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3ccccc3)COC(=O)N12)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095548819 562759540 /nfs/dbraw/zinc/75/95/40/562759540.db2.gz PIWPJJGIXYYWAN-RDWYLJQVSA-N 1 0 795.942 1.701 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]2[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc3ccccc3)COC(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095548845 562759536 /nfs/dbraw/zinc/75/95/36/562759536.db2.gz PRKXOQAFEIDPQE-KDLOHLEJSA-N 1 0 809.969 1.630 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]2[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc3ccccc3)COC(=O)N12)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095548846 562759526 /nfs/dbraw/zinc/75/95/26/562759526.db2.gz PRKXOQAFEIDPQE-OFVGVGCXSA-N 1 0 809.969 1.630 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095549042 562759688 /nfs/dbraw/zinc/75/96/88/562759688.db2.gz CHNMWUKSZIMHIX-KFIZHRIMSA-N 1 0 789.942 1.630 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095558587 562762477 /nfs/dbraw/zinc/76/24/77/562762477.db2.gz OLITVZQCNVWUKT-ZEQRLZLVSA-N 1 0 500.603 1.928 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095558928 562762584 /nfs/dbraw/zinc/76/25/84/562762584.db2.gz POUFILVXNGANSY-ZEQRLZLVSA-N 1 0 500.603 1.928 1 0 KDAFRO CO[C@]1(C)C[C@@H](C)[C@H](O)[C@H](C)C[N@H+](C)CCOC(=O)C(C)=C([O-])[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O ZINC000095559736 562762835 /nfs/dbraw/zinc/76/28/35/562762835.db2.gz ZMTGCIRJJXOERC-SXUWDHNRSA-N 1 0 544.730 1.556 1 0 KDAFRO CO[C@]1(C)C[C@@H](C)[C@H](O)[C@H](C)C[N@H+](C)CCOC(=O)C(C)=C([O-])[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O ZINC000095559737 562762873 /nfs/dbraw/zinc/76/28/73/562762873.db2.gz ZMTGCIRJJXOERC-PPUYHPBHSA-N 1 0 544.730 1.556 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095559828 562762899 /nfs/dbraw/zinc/76/28/99/562762899.db2.gz RFUZKBXHAYBHOX-DNQXCXABSA-N 1 0 500.603 1.928 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095560177 562762995 /nfs/dbraw/zinc/76/29/95/562762995.db2.gz QHRQNVHQRRXWNL-RPWUZVMVSA-N 1 0 514.630 1.779 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095560702 562763135 /nfs/dbraw/zinc/76/31/35/562763135.db2.gz POUFILVXNGANSY-DNQXCXABSA-N 1 0 500.603 1.928 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095560742 562763155 /nfs/dbraw/zinc/76/31/55/562763155.db2.gz POUFILVXNGANSY-RPWUZVMVSA-N 1 0 500.603 1.928 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095561539 562763427 /nfs/dbraw/zinc/76/34/27/562763427.db2.gz OLITVZQCNVWUKT-DNQXCXABSA-N 1 0 500.603 1.928 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095562763 562763803 /nfs/dbraw/zinc/76/38/03/562763803.db2.gz QHRQNVHQRRXWNL-DNQXCXABSA-N 1 0 514.630 1.779 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095562919 562763840 /nfs/dbraw/zinc/76/38/40/562763840.db2.gz RFUZKBXHAYBHOX-ZEQRLZLVSA-N 1 0 500.603 1.928 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095562929 562763855 /nfs/dbraw/zinc/76/38/55/562763855.db2.gz VXLYTBNBTSBTRH-ZEQRLZLVSA-N 1 0 528.613 1.492 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095562943 562763850 /nfs/dbraw/zinc/76/38/50/562763850.db2.gz RFUZKBXHAYBHOX-RPWUZVMVSA-N 1 0 500.603 1.928 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(C(=O)c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095562974 562763839 /nfs/dbraw/zinc/76/38/39/562763839.db2.gz ITWUPMKAQLICAA-ZEQRLZLVSA-N 1 0 528.613 1.492 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095562976 562763853 /nfs/dbraw/zinc/76/38/53/562763853.db2.gz QHRQNVHQRRXWNL-ZEQRLZLVSA-N 1 0 514.630 1.779 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095562999 562763830 /nfs/dbraw/zinc/76/38/30/562763830.db2.gz OLITVZQCNVWUKT-RPWUZVMVSA-N 1 0 500.603 1.928 1 0 KDAFRO O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NCCO)ccc12 ZINC000095564332 562764244 /nfs/dbraw/zinc/76/42/44/562764244.db2.gz YEGSREZTMOWGTG-MRXNPFEDSA-N 1 0 613.520 1.740 1 0 KDAFRO C[NH+](C)C1CCN(C(=O)c2ccc(NC(=O)Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)CC1 ZINC000095566832 562765328 /nfs/dbraw/zinc/76/53/28/562765328.db2.gz CYXYNDAHNRFPMP-UHFFFAOYSA-N 1 0 539.641 1.355 1 0 KDAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cn3cnnn3)cc2CC1=O ZINC000095567357 562765765 /nfs/dbraw/zinc/76/57/65/562765765.db2.gz XAIKITABNJLTPO-UDCNLSRBSA-N 1 0 565.631 1.322 1 0 KDAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cn3cnnn3)cc2CC1=O ZINC000095568913 562767041 /nfs/dbraw/zinc/76/70/41/562767041.db2.gz XAIKITABNJLTPO-MVYHEMRASA-N 1 0 565.631 1.322 1 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cn3cnnn3)cc2CC1=O ZINC000095569612 562767537 /nfs/dbraw/zinc/76/75/37/562767537.db2.gz XAIKITABNJLTPO-GNBJCERTSA-N 1 0 565.631 1.322 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000095573481 562769727 /nfs/dbraw/zinc/76/97/27/562769727.db2.gz COXMYUPLYFUFJS-MZBLVXSRSA-N 1 0 597.716 1.653 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=C[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000095574665 562770080 /nfs/dbraw/zinc/77/00/80/562770080.db2.gz FFXSSGPCMCLJML-YTRKHUOHSA-N 1 0 583.689 1.263 1 0 KDAFRO CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4C[NH+]4CCCC4)n3)cc2)CC1 ZINC000095574675 562770071 /nfs/dbraw/zinc/77/00/71/562770071.db2.gz XLQSAYDDCSLSMI-UHFFFAOYSA-N 1 0 536.662 1.905 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC=C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000095575729 562770436 /nfs/dbraw/zinc/77/04/36/562770436.db2.gz FFXSSGPCMCLJML-QZLCNWOESA-N 1 0 583.689 1.263 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC=CC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000095575853 562770493 /nfs/dbraw/zinc/77/04/93/562770493.db2.gz COXMYUPLYFUFJS-KTBGKDHWSA-N 1 0 597.716 1.653 1 0 KDAFRO CCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000095578654 562771299 /nfs/dbraw/zinc/77/12/99/562771299.db2.gz BMDMUFZZAIYXAL-PUHABZHSSA-N 1 0 639.798 1.042 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(C)n(-c2cccc(F)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095580730 562771926 /nfs/dbraw/zinc/77/19/26/562771926.db2.gz XHFCNJRCPHQUJR-HCFKQQSISA-N 1 0 748.905 1.956 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095580892 562771985 /nfs/dbraw/zinc/77/19/85/562771985.db2.gz HJNQGXKNVICPPM-BWYLNIMESA-N 1 0 730.915 1.817 1 0 KDAFRO C[NH+](C)CC(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095581097 562772107 /nfs/dbraw/zinc/77/21/07/562772107.db2.gz IJFZMPCDFUOOOD-UHFFFAOYSA-N 1 0 501.542 1.195 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cnc(-c2cccc(F)c2)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095581506 562772245 /nfs/dbraw/zinc/77/22/45/562772245.db2.gz DYZQJZQNKVTHAE-WYYWQTAUSA-N 1 0 734.878 1.852 1 0 KDAFRO CS(=O)(=O)NCC[C@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc32)CC1)c1ccc(Cl)cc1 ZINC000095581572 562772211 /nfs/dbraw/zinc/77/22/11/562772211.db2.gz GHETXRUUPUTFCN-SFHVURJKSA-N 1 0 506.032 1.706 1 0 KDAFRO CS(=O)(=O)NCC[C@@H](NC(=O)C1([NH3+])CCN(c2ncnc3[nH]ccc32)CC1)c1ccc(Cl)cc1 ZINC000095581573 562772220 /nfs/dbraw/zinc/77/22/20/562772220.db2.gz GHETXRUUPUTFCN-GOSISDBHSA-N 1 0 506.032 1.706 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1nc(C)n(-c2cccc(Cl)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095581717 562772254 /nfs/dbraw/zinc/77/22/54/562772254.db2.gz JDTRKSJSYDEMPH-NELKFLMZSA-N 1 0 766.348 1.865 1 0 KDAFRO C[NH2+][C@@H](C)C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095581910 562772307 /nfs/dbraw/zinc/77/23/07/562772307.db2.gz BCGKFGZVBFCDPM-HNNXBMFYSA-N 1 0 501.542 1.241 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(C)n(-c2cccc(OC)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095582351 562772517 /nfs/dbraw/zinc/77/25/17/562772517.db2.gz NFGFGQJXMSOQBV-QGKNMGTPSA-N 1 0 760.941 1.826 1 0 KDAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095584058 562773102 /nfs/dbraw/zinc/77/31/02/562773102.db2.gz MHGMEBPPOVMOGK-FQEVSTJZSA-N 1 0 579.612 1.909 1 0 KDAFRO O=C([C@@H]1CCC[NH2+]1)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095584254 562773189 /nfs/dbraw/zinc/77/31/89/562773189.db2.gz RHXSBAVYCAXUKN-KRWDZBQOSA-N 1 0 513.553 1.385 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cn(C)c(-c2ccccc2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095584323 562773220 /nfs/dbraw/zinc/77/32/20/562773220.db2.gz BDUXBPQARDJIAM-LRLYEUBCSA-N 1 0 730.915 1.723 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095585222 562773542 /nfs/dbraw/zinc/77/35/42/562773542.db2.gz OSKCYVFUJMSHKF-QGKNMGTPSA-N 1 0 760.941 1.826 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1nc(C)n(-c2cccc(C)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095585772 562773719 /nfs/dbraw/zinc/77/37/19/562773719.db2.gz PYYUZHFPNHCPFF-WWMNZPEASA-N 1 0 745.930 1.520 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095585816 562773749 /nfs/dbraw/zinc/77/37/49/562773749.db2.gz KNXLTWJJQOCPST-NELKFLMZSA-N 1 0 766.348 1.865 1 0 KDAFRO CC[C@H](C)[C@@H]([C@H](O)CC(=O)NC[C@H]1O[C@@H](C(=O)NCc2ccccc2)[C@@H](OC)[C@@H]1OC)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH2+]C)C(C)C)C(C)C ZINC000095586509 562773993 /nfs/dbraw/zinc/77/39/93/562773993.db2.gz NYCZKTYHQVGARM-WIHYBJKFSA-N 1 0 677.884 1.225 1 0 KDAFRO CC(=O)c1cccc(N[C@H]2[C@H]([NH3+])[C@]3(NC(=O)O[C@H]3C)[C@@](C)(O)[C@@]2(O)COC(=O)c2c(C)cccc2O)c1 ZINC000095588248 562774570 /nfs/dbraw/zinc/77/45/70/562774570.db2.gz GRYVVIDCTCRLJM-FIGCJUEWSA-N 1 0 513.547 1.231 1 0 KDAFRO NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(=O)[O-])NCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095588270 562774622 /nfs/dbraw/zinc/77/46/22/562774622.db2.gz LAMGQYNSXAFGDG-DQEYMECFSA-N 1 0 581.718 1.353 1 0 KDAFRO CC[C@H](C)[C@@H]([C@H](O)CC(=O)NC[C@H]1O[C@H](C(=O)NCc2ccccc2)[C@@H](OC)[C@@H]1OC)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH2+]C)C(C)C)C(C)C ZINC000095588637 562774691 /nfs/dbraw/zinc/77/46/91/562774691.db2.gz NYCZKTYHQVGARM-KPSVMVCZSA-N 1 0 677.884 1.225 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095593213 562776165 /nfs/dbraw/zinc/77/61/65/562776165.db2.gz XLAHTLJMVQSDTK-PQQNNWGCSA-N 1 0 807.978 1.944 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095593718 562776301 /nfs/dbraw/zinc/77/63/01/562776301.db2.gz IGCAUFKCIHSDQS-MPQUPPDSSA-N 1 0 793.951 1.553 1 0 KDAFRO COc1cc(CC(=O)NCCCNCC[NH2+]CCCNC(=O)Cc2ccc(O)c(OC)c2)ccc1O ZINC000095593796 562776315 /nfs/dbraw/zinc/77/63/15/562776315.db2.gz DXKVTBUHONRANH-UHFFFAOYSA-N 1 0 502.612 1.092 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095594270 562776462 /nfs/dbraw/zinc/77/64/62/562776462.db2.gz KODRHCNJBWRWGP-MPQUPPDSSA-N 1 0 793.951 1.553 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CN3CCN(CC3)CC(=O)Nc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095596383 562776944 /nfs/dbraw/zinc/77/69/44/562776944.db2.gz OXHLIVRHOPCUSV-MPQUPPDSSA-N 1 0 793.951 1.553 1 0 KDAFRO C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000095596411 562776967 /nfs/dbraw/zinc/77/69/67/562776967.db2.gz GZFHDQJCXSMNJI-PZBSVLGOSA-N 1 0 737.947 1.199 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095596461 562776951 /nfs/dbraw/zinc/77/69/51/562776951.db2.gz QVQWCYWOMABSFT-MPQUPPDSSA-N 1 0 793.951 1.553 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095596900 562777129 /nfs/dbraw/zinc/77/71/29/562777129.db2.gz XVWZMIZDGMJNFD-PQQNNWGCSA-N 1 0 807.978 1.231 1 0 KDAFRO C[NH2+]CCCCNC(=O)c1ccn(-c2ncnc3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c32)n1 ZINC000095597073 562777142 /nfs/dbraw/zinc/77/71/42/562777142.db2.gz MMVUADGCCPNRDW-UHFFFAOYSA-N 1 0 557.615 1.040 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095597516 562777237 /nfs/dbraw/zinc/77/72/37/562777237.db2.gz ZIDLTLIDVYHHIR-QPPIDDCLSA-N 1 0 822.005 1.621 1 0 KDAFRO CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCS2(=O)=O)C(=O)C(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000095606807 562782444 /nfs/dbraw/zinc/78/24/44/562782444.db2.gz SWYZTWZANFNIEH-XBECUJOASA-N 1 0 823.026 1.850 1 0 KDAFRO CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCS2(=O)=O)C(=O)C(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000095606808 562782439 /nfs/dbraw/zinc/78/24/39/562782439.db2.gz SWYZTWZANFNIEH-BDUAISQPSA-N 1 0 823.026 1.850 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000095606898 562782504 /nfs/dbraw/zinc/78/25/04/562782504.db2.gz KYHILABVVZODQF-GZXHTMMISA-N 1 0 767.936 1.592 1 0 KDAFRO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1 ZINC000095606999 562782577 /nfs/dbraw/zinc/78/25/77/562782577.db2.gz FMBLTLNNNFAUOR-BBACVFHCSA-N 1 0 810.957 1.126 1 0 KDAFRO O=C(CN1CCC([NH+]2CCOCC2)CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O ZINC000095607025 562782594 /nfs/dbraw/zinc/78/25/94/562782594.db2.gz FKXMTDOSYPOSDS-QJMCPCMJSA-N 1 0 790.966 1.452 1 0 KDAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC1=O ZINC000095607302 562782696 /nfs/dbraw/zinc/78/26/96/562782696.db2.gz WABJLUQQXPZJST-QHSFRADESA-N 1 0 742.988 1.758 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1COC(=O)NC(C)(C)C)[C@H](C)O ZINC000095607320 562782719 /nfs/dbraw/zinc/78/27/19/562782719.db2.gz ZALLORWCILBTOM-MUQLUMEMSA-N 1 0 769.941 1.471 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)COC(=O)NC1CCCC1)[C@H](C)O ZINC000095608045 562783298 /nfs/dbraw/zinc/78/32/98/562783298.db2.gz POFAAXDPHZIKQK-SVSFJFNHSA-N 1 0 755.914 1.129 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1COC(=O)NC1CCCC1)[C@@H](C)O ZINC000095608046 562783304 /nfs/dbraw/zinc/78/33/04/562783304.db2.gz ACGWIQSKBNBWSK-BSAGQGNBSA-N 1 0 781.952 1.615 1 0 KDAFRO CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000095608387 562783506 /nfs/dbraw/zinc/78/35/06/562783506.db2.gz KMXAKISPLJTOKV-BFSUCQSRSA-N 1 0 764.006 1.912 1 0 KDAFRO CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000095608388 562783513 /nfs/dbraw/zinc/78/35/13/562783513.db2.gz KMXAKISPLJTOKV-HYQSYOFXSA-N 1 0 764.006 1.912 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000095609676 562783898 /nfs/dbraw/zinc/78/38/98/562783898.db2.gz KMXAKISPLJTOKV-XWSFNMDWSA-N 1 0 764.006 1.912 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000095609677 562783914 /nfs/dbraw/zinc/78/39/14/562783914.db2.gz KMXAKISPLJTOKV-SIENXNJMSA-N 1 0 764.006 1.912 1 0 KDAFRO C[NH+](C)CCNC(=O)Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095610019 562784140 /nfs/dbraw/zinc/78/41/40/562784140.db2.gz NOZQEEVAGHWFNT-ORYMTKCHSA-N 1 0 784.001 1.846 1 0 KDAFRO CC(C)C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 ZINC000095611065 562784816 /nfs/dbraw/zinc/78/48/16/562784816.db2.gz SBNHYQCMMRRNSC-GPGBMJNMSA-N 1 0 778.955 1.925 1 0 KDAFRO CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCC[NH3+])[C@H]2C1=O)C(N)=O ZINC000095611235 562784883 /nfs/dbraw/zinc/78/48/83/562784883.db2.gz URIRKOHAMZPMCD-VYFUELDASA-N 1 0 764.006 1.768 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCC[NH3+])[C@@H]2C1=O)C(N)=O ZINC000095611289 562784951 /nfs/dbraw/zinc/78/49/51/562784951.db2.gz URIRKOHAMZPMCD-SUUSVYONSA-N 1 0 764.006 1.768 1 0 KDAFRO CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCC[NH3+])[C@@H]2C1=O)C(N)=O ZINC000095611378 562784956 /nfs/dbraw/zinc/78/49/56/562784956.db2.gz URIRKOHAMZPMCD-ZOLLQGMZSA-N 1 0 764.006 1.768 1 0 KDAFRO C[C@H](O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)CNC(=O)[C@@H](CCCC[NH3+])NC1=O ZINC000095612162 562785312 /nfs/dbraw/zinc/78/53/12/562785312.db2.gz XDMRGRDDYHXEQA-WFXHSEKNSA-N 1 0 808.981 1.238 1 0 KDAFRO C[C@H](O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)CNC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000095612258 562785390 /nfs/dbraw/zinc/78/53/90/562785390.db2.gz KABSQTARCJMSCM-BGPNKJSMSA-N 1 0 808.981 1.238 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095612352 562785392 /nfs/dbraw/zinc/78/53/92/562785392.db2.gz OPHLMMMJARHZQY-YRCZKMHPSA-N 1 0 756.308 1.947 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000095612943 562785926 /nfs/dbraw/zinc/78/59/26/562785926.db2.gz YQBUXOUSHPXETO-LDLFXXLYSA-N 1 0 753.909 1.202 1 0 in-vivo KDAFRO COc1ccc(C[C@H](NC(N)=[NH2+])C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000095612978 562785963 /nfs/dbraw/zinc/78/59/63/562785963.db2.gz GDPQVNYUWUCSIG-RTNMLALUSA-N 1 0 758.280 1.272 1 0 KDAFRO CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095612985 562785965 /nfs/dbraw/zinc/78/59/65/562785965.db2.gz CSDUUNOZBMGMHZ-CUPIEXAXSA-N 1 0 798.921 1.256 1 0 in-vivo KDAFRO CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095613524 562786333 /nfs/dbraw/zinc/78/63/33/562786333.db2.gz JYMKJUIWSQVJBP-BBACVFHCSA-N 1 0 752.917 1.522 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095613630 562786396 /nfs/dbraw/zinc/78/63/96/562786396.db2.gz PPISUPSPKCHLKT-CUPIEXAXSA-N 1 0 812.332 1.339 1 0 KDAFRO C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O ZINC000095613776 562786523 /nfs/dbraw/zinc/78/65/23/562786523.db2.gz FHSGULRVYLHXFO-FFNFELIASA-N 1 0 806.965 1.134 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[n-]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000095614382 562786581 /nfs/dbraw/zinc/78/65/81/562786581.db2.gz WHBWJFSQSGZODS-WBAQKLHDSA-N 1 0 811.661 1.437 1 0 KDAFRO CC(C)C[C@@H](CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095614403 562786558 /nfs/dbraw/zinc/78/65/58/562786558.db2.gz VYIZXMBSMMAZPF-DATVRVMLSA-N 1 0 788.947 1.435 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095614539 562786680 /nfs/dbraw/zinc/78/66/80/562786680.db2.gz CHNMWUKSZIMHIX-ZYADHFCISA-N 1 0 789.942 1.630 1 0 KDAFRO Cc1ccc(S(=O)(=O)NCCN(CCNC(=O)[C@H]([NH3+])Cc2ccccc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095614652 562786795 /nfs/dbraw/zinc/78/67/95/562786795.db2.gz OKNQGJXFFGQBBG-MUUNZHRXSA-N 1 0 601.795 1.548 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095614758 562786857 /nfs/dbraw/zinc/78/68/57/562786857.db2.gz ZJRYSELENYTFKR-BBACVFHCSA-N 1 0 775.915 1.239 1 0 KDAFRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615256 562787198 /nfs/dbraw/zinc/78/71/98/562787198.db2.gz IAXQJICNQNNYCU-KFIZHRIMSA-N 1 0 775.915 1.217 1 0 KDAFRO CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615969 562787693 /nfs/dbraw/zinc/78/76/93/562787693.db2.gz CSDUUNOZBMGMHZ-HVRNLMOBSA-N 1 0 798.921 1.256 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000095616138 562787790 /nfs/dbraw/zinc/78/77/90/562787790.db2.gz KMXAKISPLJTOKV-UFNPMKSTSA-N 1 0 764.006 1.912 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@H](CC(C)C)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O)C(N)=O ZINC000095616139 562787772 /nfs/dbraw/zinc/78/77/72/562787772.db2.gz KMXAKISPLJTOKV-LAOFZKRRSA-N 1 0 764.006 1.912 1 0 KDAFRO CC[C@H](C)C(=O)O[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@H]2[C@]34[C@@H]1[N@H+](CC)C[C@]2(COC)CC[C@@H]4OC ZINC000095911657 560057998 /nfs/dbraw/zinc/05/79/98/560057998.db2.gz CKXXSHYXJATMHS-ZBMCLEFTSA-N 1 0 551.721 1.868 1 0 biogenic,in-vitro KDAFRO CC[N@@H+]1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000095912411 560057148 /nfs/dbraw/zinc/05/71/48/560057148.db2.gz FFDYDKWAVLMXDR-HJQBREAZSA-N 1 0 572.699 1.064 1 0 biogenic,in-vitro KDAFRO COc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913508 560056745 /nfs/dbraw/zinc/05/67/45/560056745.db2.gz HAWPTRHHUNNNJJ-SCLNKJEXSA-N 1 0 521.607 1.165 1 0 biogenic,in-vitro KDAFRO CC[N@@H+]1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@](O)(C[C@@H]32)[C@@H]14 ZINC000095914622 565186619 /nfs/dbraw/zinc/18/66/19/565186619.db2.gz XTSVKUJYTUPYRJ-PSHUJUHQSA-N 1 0 600.709 1.337 1 0 biogenic,in-vitro KDAFRO CC[N@@H+]1C[C@]2(OC(=O)c3ccc(NC(C)=O)cc3)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@](O)(C[C@@H]32)[C@@H]14 ZINC000095914777 565186965 /nfs/dbraw/zinc/18/69/65/565186965.db2.gz DFXJENUBPCHLQQ-IDYSROOPSA-N 1 0 600.709 1.337 1 0 biogenic,in-vitro KDAFRO CC[N@@H+]1C[C@]2(OC(=O)c3ccc(NC(C)=O)cc3)CC[C@@H](OC)[C@@]34[C@H]5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@](O)(C[C@@H]32)[C@@H]14 ZINC000095914778 565186996 /nfs/dbraw/zinc/18/69/96/565186996.db2.gz DFXJENUBPCHLQQ-RGFZNSPESA-N 1 0 600.709 1.337 1 0 biogenic,in-vitro KDAFRO CC(C)[C@H](O)[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)[C@H](C(C)C)Oc2ccc(cc2)CCNC1=O ZINC000095915034 560055199 /nfs/dbraw/zinc/05/51/99/560055199.db2.gz XGLGTXRJAGRTRE-QXLMEFJZSA-N 1 0 552.716 1.922 1 0 biogenic,in-vitro KDAFRO CC[N@@H+]1C[C@]2(C)C=C[C@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@H]2[C@H]2C[C@@H](OC)[C@H]5C[C@]3(O)[C@@H]2[C@H]5OC)[C@@H]14 ZINC000095918685 560055162 /nfs/dbraw/zinc/05/51/62/560055162.db2.gz PSGYJADNMOBIKR-DIHHETHXSA-N 1 0 519.635 1.372 1 0 biogenic,in-vitro KDAFRO C/C=C(/C)C(=O)O[C@@H]1[C@H]2[C@@H](C[N@@H+]3C[C@@H](C)CC[C@@H]3[C@@]2(C)O)[C@@H]2C[C@]34OC(=O)[C@]5(O)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(O)[C@H]1O ZINC000095919491 560054360 /nfs/dbraw/zinc/05/43/60/560054360.db2.gz IYZYKWQSJTULSG-XKALUGSOSA-N 1 0 573.727 1.940 1 0 biogenic,in-vitro KDAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3ccncc3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@H]1O ZINC000096167449 562790471 /nfs/dbraw/zinc/79/04/71/562790471.db2.gz JLAXABGHGCBAGV-RNODOKPDSA-N 1 0 514.455 1.736 1 0 KDAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3ccco3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@H]1O ZINC000096167450 562790493 /nfs/dbraw/zinc/79/04/93/562790493.db2.gz QGMCXZMURXFXMP-JEOXALJRSA-N 1 0 503.428 1.934 1 0 KDAFRO C[C@H](OCc1ccccc1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000096168435 562790644 /nfs/dbraw/zinc/79/06/44/562790644.db2.gz JXDRVTULOVVFJK-LZYPDUGYSA-N 1 0 581.695 1.157 1 0 KDAFRO C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000096168436 562790660 /nfs/dbraw/zinc/79/06/60/562790660.db2.gz JXDRVTULOVVFJK-VANUSSGQSA-N 1 0 581.695 1.157 1 0 KDAFRO CN(c1ncccc1CNc1cccn2nc(Nc3ccc(N4CC[NH+](CCO)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169677 562790762 /nfs/dbraw/zinc/79/07/62/562790762.db2.gz FZKJWZCLGVYYLN-UHFFFAOYSA-N 1 0 551.677 1.990 1 0 KDAFRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 ZINC000096175442 562791879 /nfs/dbraw/zinc/79/18/79/562791879.db2.gz LABMRJMAQQPSHF-HXUWFJFHSA-N 1 0 513.562 1.987 1 0 KDAFRO CNC(=O)CCCC1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-n3ncccc3=O)c2)CC1 ZINC000096175787 562792046 /nfs/dbraw/zinc/79/20/46/562792046.db2.gz VSBKJADZWCSXKL-AREMUKBSSA-N 1 0 607.737 1.561 1 0 KDAFRO CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-n3ncccc3=O)c2)CC1 ZINC000096175788 562792038 /nfs/dbraw/zinc/79/20/38/562792038.db2.gz VSBKJADZWCSXKL-SANMLTNESA-N 1 0 607.737 1.561 1 0 KDAFRO C[NH+](C)CCC(=O)Nc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096271514 562793827 /nfs/dbraw/zinc/79/38/27/562793827.db2.gz OTMIIELEBXHCJR-UHFFFAOYSA-N 1 0 531.568 1.712 1 0 KDAFRO [NH3+]CCC(=O)Nc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096271515 562793836 /nfs/dbraw/zinc/79/38/36/562793836.db2.gz JXMKVTABFIPUEY-UHFFFAOYSA-N 1 0 503.514 1.109 1 0 KDAFRO C[NH+](C)CCNc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096271517 562793822 /nfs/dbraw/zinc/79/38/22/562793822.db2.gz GBBTUGFVODHLMQ-UHFFFAOYSA-N 1 0 503.558 1.795 1 0 KDAFRO C[NH+](C)C[C@H](O)COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096271520 562793820 /nfs/dbraw/zinc/79/38/20/562793820.db2.gz IOTIUGYNYBMKTG-INIZCTEOSA-N 1 0 534.568 1.123 1 0 KDAFRO C[NH+](C)C[C@@H](O)COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096271521 562793843 /nfs/dbraw/zinc/79/38/43/562793843.db2.gz IOTIUGYNYBMKTG-MRXNPFEDSA-N 1 0 534.568 1.123 1 0 KDAFRO C[NH+](C)CCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000096271523 562793803 /nfs/dbraw/zinc/79/38/03/562793803.db2.gz YQKQVUXNVLTSTL-UHFFFAOYSA-N 1 0 504.542 1.762 1 0 KDAFRO COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4cc5c(nn4)OCCS5)CO3)c2n1 ZINC000096284025 562795020 /nfs/dbraw/zinc/79/50/20/562795020.db2.gz VRARNXIVPHOALP-SQRPBOIWSA-N 1 0 503.556 1.784 1 0 KDAFRO COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4cc5c(nn4)OCCS5)CO3)c2n1 ZINC000096284035 562795046 /nfs/dbraw/zinc/79/50/46/562795046.db2.gz STJYMKNNSABJJZ-SQRPBOIWSA-N 1 0 503.556 1.784 1 0 KDAFRO COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CO3)c2n1 ZINC000096284045 562795040 /nfs/dbraw/zinc/79/50/40/562795040.db2.gz TWOGVSMCVZUIJI-FRALDWEZSA-N 1 0 515.567 1.948 1 0 KDAFRO COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CO3)c2n1 ZINC000096284046 562795048 /nfs/dbraw/zinc/79/50/48/562795048.db2.gz GHHOFTMHPOSKMT-FRALDWEZSA-N 1 0 515.567 1.948 1 0 KDAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2noc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C ZINC000096285523 562795775 /nfs/dbraw/zinc/79/57/75/562795775.db2.gz PKGJQJIJEUTAME-KXNSMUHISA-N 1 0 527.603 1.233 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NO[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000096307111 562796345 /nfs/dbraw/zinc/79/63/45/562796345.db2.gz IANRMQCFXJXRGR-YVHASNINSA-N 1 0 559.667 1.556 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NO[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000096307114 562796373 /nfs/dbraw/zinc/79/63/73/562796373.db2.gz IANRMQCFXJXRGR-LAJGZZDBSA-N 1 0 559.667 1.556 1 0 KDAFRO CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000096318535 562796541 /nfs/dbraw/zinc/79/65/41/562796541.db2.gz SPUAJJZGAKWXAZ-QORCZRPOSA-N 1 0 537.661 1.141 1 0 KDAFRO CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096318540 562796524 /nfs/dbraw/zinc/79/65/24/562796524.db2.gz AZGOQVZXEGKFSN-QORCZRPOSA-N 1 0 537.661 1.141 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1Cc2ccccc2C[C@]2(CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1=O ZINC000096319033 562796618 /nfs/dbraw/zinc/79/66/18/562796618.db2.gz XXSVWIUHNDWFND-NTBNWUQQSA-N 1 0 583.689 1.421 1 0 in-vivo KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1Cc2ccccc2C[C@@]2(CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1=O ZINC000096319035 562796616 /nfs/dbraw/zinc/79/66/16/562796616.db2.gz XXSVWIUHNDWFND-DRVYDUGISA-N 1 0 583.689 1.421 1 0 in-vivo KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000096900205 562796754 /nfs/dbraw/zinc/79/67/54/562796754.db2.gz LBGGQIAZTSASMY-QZLCNWOESA-N 1 0 583.689 1.496 1 0 KDAFRO CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(NC(N)=[NH2+])cc1 ZINC000096901729 562797184 /nfs/dbraw/zinc/79/71/84/562797184.db2.gz GCWKJPUNRCIINN-XPWALMASSA-N 1 0 524.622 1.762 1 0 KDAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1F ZINC000096902497 562797469 /nfs/dbraw/zinc/79/74/69/562797469.db2.gz JVAXCCKVAHSDLC-UKILVPOCSA-N 1 0 566.659 1.711 1 0 KDAFRO CC(=O)[C@H]([NH3+])CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000096902626 562797523 /nfs/dbraw/zinc/79/75/23/562797523.db2.gz JJVQGNOIGJLQBN-LIRVCHIBSA-N 1 0 657.768 1.599 1 0 KDAFRO CC(=O)[C@@H]([NH3+])CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000096902627 562797513 /nfs/dbraw/zinc/79/75/13/562797513.db2.gz JJVQGNOIGJLQBN-XDIGFQIYSA-N 1 0 657.768 1.599 1 0 KDAFRO CC(=O)[C@H]([NH3+])CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000096902768 562797646 /nfs/dbraw/zinc/79/76/46/562797646.db2.gz JJVQGNOIGJLQBN-OXFURMMHSA-N 1 0 657.768 1.599 1 0 KDAFRO CC(=O)[C@@H]([NH3+])CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000096902769 562797633 /nfs/dbraw/zinc/79/76/33/562797633.db2.gz JJVQGNOIGJLQBN-LUKCZKMGSA-N 1 0 657.768 1.599 1 0 KDAFRO CC(C)(C)c1cc(C[C@H]2NC(=O)[C@@H](NC(=O)[C@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O ZINC000096903326 562797921 /nfs/dbraw/zinc/79/79/21/562797921.db2.gz RRXAKVUZGASTMY-DSNGMDLFSA-N 1 0 565.715 1.578 1 0 KDAFRO CC(C)(C)c1cc(C[C@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O ZINC000096903328 562797925 /nfs/dbraw/zinc/79/79/25/562797925.db2.gz RRXAKVUZGASTMY-CCDWMCETSA-N 1 0 565.715 1.578 1 0 KDAFRO CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(NC(N)=[NH2+])cc1 ZINC000096903800 562798062 /nfs/dbraw/zinc/79/80/62/562798062.db2.gz GOCLCAGYWQXLNB-TZRRMPRUSA-N 1 0 538.649 1.439 1 0 KDAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O ZINC000096904234 562798189 /nfs/dbraw/zinc/79/81/89/562798189.db2.gz RDORPONJAXSNEH-LYXINOJLSA-N 1 0 624.742 1.983 1 0 KDAFRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O ZINC000096904236 562798234 /nfs/dbraw/zinc/79/82/34/562798234.db2.gz RDORPONJAXSNEH-JIBNBMRDSA-N 1 0 624.742 1.983 1 0 KDAFRO CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[NH3+])C(N)=O ZINC000096904389 562798334 /nfs/dbraw/zinc/79/83/34/562798334.db2.gz SDCUSWPPZCMQOD-LIRVCHIBSA-N 1 0 737.968 1.425 1 0 KDAFRO CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C(C)C)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C ZINC000096908003 562799303 /nfs/dbraw/zinc/79/93/03/562799303.db2.gz JHLCBIPZHFJQBD-WDYNHAJCSA-N 1 0 730.841 1.981 1 0 KDAFRO CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)CC[NH3+])n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C ZINC000096908006 562799272 /nfs/dbraw/zinc/79/92/72/562799272.db2.gz OOBAHXUUFRNIIR-UHFFFAOYSA-N 1 0 603.654 1.206 1 0 KDAFRO CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)[C@@H]([NH3+])C(C)C)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C ZINC000096908598 562799382 /nfs/dbraw/zinc/79/93/82/562799382.db2.gz SZUBVHGRLBYMBC-VWLOTQADSA-N 1 0 631.708 1.840 1 0 KDAFRO CCOC(=O)c1c(C)cc2nc(COC(=O)NCCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C ZINC000096908599 562799402 /nfs/dbraw/zinc/79/94/02/562799402.db2.gz JHLCBIPZHFJQBD-URLMMPGGSA-N 1 0 730.841 1.981 1 0 KDAFRO C[C@@H]1CN(c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)cn2)CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000096913800 562800411 /nfs/dbraw/zinc/80/04/11/562800411.db2.gz HQSZYKPELZPPLD-WVQWTBLQSA-N 1 0 530.629 1.221 1 0 KDAFRO NC(=O)[C@@H](CNC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)Cc1ccccc1 ZINC000096921469 562801402 /nfs/dbraw/zinc/80/14/02/562801402.db2.gz DPENMTDUSGLVEI-QMGVEFKFSA-N 1 0 599.732 1.831 1 0 KDAFRO NC(=O)[C@H](CNC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)Cc1ccccc1 ZINC000096921470 562801414 /nfs/dbraw/zinc/80/14/14/562801414.db2.gz DPENMTDUSGLVEI-ZHTHUIBPSA-N 1 0 599.732 1.831 1 0 KDAFRO CC(C)OC(=O)O[C@H](C)OC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)N(C)C)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000096921558 562801482 /nfs/dbraw/zinc/80/14/82/562801482.db2.gz GMCNJWLBWGCLJE-SCEXLNRQSA-N 1 0 513.613 1.058 1 0 KDAFRO CC(C)OC(=O)O[C@@H](C)OC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)N(C)C)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000096921559 562801494 /nfs/dbraw/zinc/80/14/94/562801494.db2.gz GMCNJWLBWGCLJE-BEPHGODMSA-N 1 0 513.613 1.058 1 0 KDAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@H]3CCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096921560 562801481 /nfs/dbraw/zinc/80/14/81/562801481.db2.gz DTCHPSKZPDVSBA-HHZFNFLZSA-N 1 0 573.668 1.949 1 0 KDAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@@H]3CCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096921561 562801469 /nfs/dbraw/zinc/80/14/69/562801469.db2.gz DTCHPSKZPDVSBA-RPSOBJRPSA-N 1 0 573.668 1.949 1 0 KDAFRO NC(=O)C[C@H](Cc1ccccc1)NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000096921682 562801528 /nfs/dbraw/zinc/80/15/28/562801528.db2.gz APFNJRUQUKZDSP-ZHTHUIBPSA-N 1 0 599.732 1.974 1 0 KDAFRO NC(=O)[C@H](CNC(=O)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1 ZINC000096921683 562801518 /nfs/dbraw/zinc/80/15/18/562801518.db2.gz AYJAEWXBNMMIQB-ZHTHUIBPSA-N 1 0 599.732 1.689 1 0 KDAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)OC3Cc4ccccc4C3)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096922012 562801642 /nfs/dbraw/zinc/80/16/42/562801642.db2.gz JLHPBWXBMLJZBZ-GRZHXSAHSA-N 1 0 573.668 1.429 1 0 KDAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@@H]3CCc4ccccc4C3)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096922013 562801621 /nfs/dbraw/zinc/80/16/21/562801621.db2.gz HHPGJPVPVQZSMT-OCIDUHLGSA-N 1 0 587.695 1.819 1 0 KDAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@H]3CCc4ccccc4C3)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096922014 562801679 /nfs/dbraw/zinc/80/16/79/562801679.db2.gz HHPGJPVPVQZSMT-HMGVYCHYSA-N 1 0 587.695 1.819 1 0 KDAFRO CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccc(O)c(Br)c1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CC[C@@H](O)C[C@@H]21 ZINC000096923922 562802172 /nfs/dbraw/zinc/80/21/72/562802172.db2.gz HVTUJLWYHRJFCH-JDAMQYKPSA-N 1 0 653.619 1.099 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc2ccccc21 ZINC000096924159 562802276 /nfs/dbraw/zinc/80/22/76/562802276.db2.gz FJNCHTYGSVVUGW-HJOGWXRNSA-N 1 0 518.618 1.790 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc2ccccc21 ZINC000096924160 562802280 /nfs/dbraw/zinc/80/22/80/562802280.db2.gz FJNCHTYGSVVUGW-VXNXHJTFSA-N 1 0 518.618 1.790 1 0 KDAFRO CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO ZINC000096930179 562803212 /nfs/dbraw/zinc/80/32/12/562803212.db2.gz NWRYYCZLCDAENX-ORYMTKCHSA-N 1 0 629.758 1.159 1 0 KDAFRO CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO ZINC000096930181 562803192 /nfs/dbraw/zinc/80/31/92/562803192.db2.gz OLQWIJRWOVBNIS-ORYMTKCHSA-N 1 0 629.758 1.159 1 0 KDAFRO CN(C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO ZINC000096930183 562803204 /nfs/dbraw/zinc/80/32/04/562803204.db2.gz LRVYKOOHULDKLF-YDPTYEFTSA-N 1 0 643.785 1.501 1 0 KDAFRO Cc1oc(=O)oc1COC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCc4oc(=O)oc4C)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000096933237 562803569 /nfs/dbraw/zinc/80/35/69/562803569.db2.gz JWHIGAWSYXMLIV-FUOBRWSBSA-N 1 0 699.691 1.968 1 0 KDAFRO CCOC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000096933238 562803565 /nfs/dbraw/zinc/80/35/65/562803565.db2.gz GVMSLNANKYADKT-PGTOZNMBSA-N 1 0 531.631 1.898 1 0 KDAFRO C[C@@H](O)[C@H]1C(=O)N2C3=C(S[C@@H]4C[NH2+][C@@H](C4)C(=O)Nc4cccc(c4)C(=O)OCCCOC3=O)[C@H](C)[C@H]12 ZINC000096933239 562803572 /nfs/dbraw/zinc/80/35/72/562803572.db2.gz HFFBFNZMWTYVKV-CELYIQNJSA-N 1 0 515.588 1.262 1 0 KDAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000098083988 562805564 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1.928 1 0 KDAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261887 562821606 /nfs/dbraw/zinc/82/16/06/562821606.db2.gz ABHVKYFWPPHTHF-RAKSSTMPSA-N 1 0 625.689 1.928 1 0 KDAFRO C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)([NH3+])[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCC1 ZINC000103266285 562822263 /nfs/dbraw/zinc/82/22/63/562822263.db2.gz LXARZVBICIXBCE-LBYFKGEHSA-N 1 0 552.521 1.180 1 0 KDAFRO C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)([NH3+])[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCC1 ZINC000103266287 562822299 /nfs/dbraw/zinc/82/22/99/562822299.db2.gz LXARZVBICIXBCE-BUIWTUEASA-N 1 0 552.521 1.180 1 0 KDAFRO C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)([NH3+])[C@@H]1O)Oc1ccccc1)C(=O)OCCC(C)(C)C ZINC000103266290 562822270 /nfs/dbraw/zinc/82/22/70/562822270.db2.gz DBXSTEIUPPSXPD-TXBVANNISA-N 1 0 568.564 1.674 1 0 KDAFRO 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ZINC000103524461 560051272 /nfs/dbraw/zinc/05/12/72/560051272.db2.gz KCSSWPNXPXDPST-DCEUTJTPSA-N 1 0 589.778 1.016 1 0 biogenic,in-vitro KDAFRO CNC(=[NH2+])N1C=C[C@@]2(C[NH2+]CCO)C=C[C@H]3[C@@]45C6=C(C(=O)[O-])[C@]3(O)[C@H](OC)CCCC[C@@H]4CC[C@H](C6)[C@@]52C1 ZINC000103524482 560051279 /nfs/dbraw/zinc/05/12/79/560051279.db2.gz IJZRFLKWUDVXLD-DBJSYIPKSA-N 1 0 526.678 1.842 1 0 biogenic,in-vitro KDAFRO CNC(=[NH2+])N1C=C[C@@]2(C[NH2+]CCO)C=C[C@H]3[C@@]45C6=C(C(=O)[O-])[C@]3(O)C(=O)CCCC[C@@H]4CC[C@H](C6)[C@@]52C1 ZINC000103524486 291703815 /nfs/dbraw/zinc/70/38/15/291703815.db2.gz CGNHVURLOBTMHJ-NCHUUCJUSA-N 1 0 510.635 1.396 1 0 biogenic,in-vitro KDAFRO CNC(=[NH2+])N1C=C[C@]2(C[NH2+]CCO)CC[C@H]3[C@@]45C6=C(C(=O)[O-])[C@]3(O)C(=O)CCCC[C@@H]4CC[C@H](C6)[C@@]52C1 ZINC000103524490 560051287 /nfs/dbraw/zinc/05/12/87/560051287.db2.gz ODYLTPXMDGRSLA-OSYPPHHQSA-N 1 0 512.651 1.620 1 0 biogenic,in-vitro KDAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCCC[C@@H]4OC ZINC000103524504 560051265 /nfs/dbraw/zinc/05/12/65/560051265.db2.gz UJJXYMKCYQYFMA-ZLKJLUPBSA-N 1 0 502.656 1.676 1 0 biogenic,in-vitro KDAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]23[C@H]4CC5=C(C(=O)[O-])[C@@]6(O)C[C@]52[C@](CC4)(CC[C@@H]13)CCCCC6=O ZINC000103524520 560051292 /nfs/dbraw/zinc/05/12/92/560051292.db2.gz IRCBDYVXVKMMGL-VOQYKQSPSA-N 1 0 512.651 1.762 1 0 biogenic,in-vitro KDAFRO CC(C)[C@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]21 ZINC000103583388 560051508 /nfs/dbraw/zinc/05/15/08/560051508.db2.gz OGCOHPMZUTVUAD-JFPTWNJWSA-N 1 0 575.710 1.954 1 0 biogenic,in-vitro KDAFRO O=C(c1nn([C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112939902 562825473 /nfs/dbraw/zinc/82/54/73/562825473.db2.gz DFESDZGEOSBXMQ-DLBZAZTESA-N 1 0 504.584 1.732 1 0 KDAFRO O=C(c1nn([C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112939905 562825509 /nfs/dbraw/zinc/82/55/09/562825509.db2.gz DFESDZGEOSBXMQ-IRXDYDNUSA-N 1 0 504.584 1.732 1 0 KDAFRO O=C(c1nn([C@H]2CCN(CC[NH+]3CCC(F)CC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940089 562825575 /nfs/dbraw/zinc/82/55/75/562825575.db2.gz URZITQGEWBAINN-FQEVSTJZSA-N 1 0 531.654 1.991 1 0 KDAFRO O=C(c1nn([C@@H]2CCN(CC[NH+]3CCC(F)CC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940093 562825538 /nfs/dbraw/zinc/82/55/38/562825538.db2.gz URZITQGEWBAINN-HXUWFJFHSA-N 1 0 531.654 1.991 1 0 KDAFRO C[NH+]1CCN(Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cn2)CC1 ZINC000112940162 562825535 /nfs/dbraw/zinc/82/55/35/562825535.db2.gz HWBDCKWOZGYXRP-UHFFFAOYSA-N 1 0 522.631 1.441 1 0 KDAFRO O=C(c1nn([C@H]2CC[N@@H+](C3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112940812 562825619 /nfs/dbraw/zinc/82/56/19/562825619.db2.gz GXTWTBFETNXESR-KRWDZBQOSA-N 1 0 504.584 1.875 1 0 KDAFRO O=C(c1nn([C@H]2CCCN(CC[NH+]3CCC(O)CC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940832 562825608 /nfs/dbraw/zinc/82/56/08/562825608.db2.gz CBLXFJOGYFFYFS-FQEVSTJZSA-N 1 0 543.690 1.403 1 0 KDAFRO COCC[N@H+](C)CCN1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112940895 562825694 /nfs/dbraw/zinc/82/56/94/562825694.db2.gz NXHSCEQOULVBJS-FQEVSTJZSA-N 1 0 531.679 1.525 1 0 KDAFRO O=C(c1nn([C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940949 562825716 /nfs/dbraw/zinc/82/57/16/562825716.db2.gz QPTYEYDIOWOEAT-RBUKOAKNSA-N 1 0 500.621 1.983 1 0 KDAFRO O=C(c1nn([C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940951 562825678 /nfs/dbraw/zinc/82/56/78/562825678.db2.gz QPTYEYDIOWOEAT-OALUTQOASA-N 1 0 500.621 1.983 1 0 KDAFRO O=C(c1nn([C@@H]2CC[N@@H+](C3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112941679 562825831 /nfs/dbraw/zinc/82/58/31/562825831.db2.gz GXTWTBFETNXESR-QGZVFWFLSA-N 1 0 504.584 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/nfs/dbraw/zinc/84/25/08/562842508.db2.gz VDBQAWTZKCCZBV-LOQCDPMQSA-N 1 0 525.537 1.769 1 0 KDAFRO COc1ccc2ncc(F)c([C@@H](O)[C@H](O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149222581 562842513 /nfs/dbraw/zinc/84/25/13/562842513.db2.gz VDBQAWTZKCCZBV-RAFORSMESA-N 1 0 525.537 1.769 1 0 KDAFRO COc1ccc2ncc(F)c(CC[N@@H+]3C[C@H](O)[C@@H](CNCc4nc5c(cc4Cl)OCC(=O)N5)C3)c2n1 ZINC000149681956 562842770 /nfs/dbraw/zinc/84/27/70/562842770.db2.gz GOHOWUAAORPINE-DJJJIMSYSA-N 1 0 516.961 1.782 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]2CC[C@@H](NC(N)=[NH2+])CC2)C(N)=O)cc1 ZINC000150542844 562844256 /nfs/dbraw/zinc/84/42/56/562844256.db2.gz SJYZMIVCLWAOEF-NUYVAWFRSA-N 1 0 664.852 1.205 1 0 KDAFRO Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]2CC[C@H](NC(N)=[NH2+])CC2)C(N)=O)cc1 ZINC000150543089 562844283 /nfs/dbraw/zinc/84/42/83/562844283.db2.gz SJYZMIVCLWAOEF-BXXPNJRFSA-N 1 0 664.852 1.205 1 0 KDAFRO CN1CCN(c2cc3c(cc2F)C(=O)[C@H](C(=O)Nc2ccc4c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO4)CN3C2CC2)CC1 ZINC000150584210 562845691 /nfs/dbraw/zinc/84/56/91/562845691.db2.gz FOOROZILKZHUGN-UGUZWBSBSA-N 1 0 784.890 1.777 1 0 KDAFRO CN1CCN(c2cc3c(cc2F)C(=O)[C@@H](C(=O)Nc2ccc4c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO4)CN3C2CC2)CC1 ZINC000150584213 562845699 /nfs/dbraw/zinc/84/56/99/562845699.db2.gz FOOROZILKZHUGN-WJHQPOGDSA-N 1 0 784.890 1.777 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(Cn2ccnc2)o1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000150593629 562846404 /nfs/dbraw/zinc/84/64/04/562846404.db2.gz OCLHUFRBIBOYGP-NFWZRYHXSA-N 1 0 721.860 1.760 1 0 KDAFRO COc1ccc(C(=O)Nc2cccc([C@@H](C[NH+](C)C)Nc3ncnc4c3=CCCC=4C(N)=O)c2)cc1F ZINC000166931787 562850486 /nfs/dbraw/zinc/85/04/86/562850486.db2.gz INWAPLGMARPPCH-JOCHJYFZSA-N 1 0 504.566 1.802 1 0 KDAFRO COc1ccc(C(=O)Nc2cccc([C@H](C[NH+](C)C)Nc3ncnc4c3=CCCC=4C(N)=O)c2)cc1F ZINC000166931913 562850494 /nfs/dbraw/zinc/85/04/94/562850494.db2.gz INWAPLGMARPPCH-QFIPXVFZSA-N 1 0 504.566 1.802 1 0 KDAFRO Cc1c(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H]([NH+](C)C)CC4)c2)nnn1-c1nonc1N ZINC000167966301 562851165 /nfs/dbraw/zinc/85/11/65/562851165.db2.gz SZPNDNMKWYGKCZ-HNNXBMFYSA-N 1 0 522.595 1.599 1 0 KDAFRO CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCN(c4ccccn4)CC3)ncc2-c2cnc3[nH]ccc3n2)C1 ZINC000168803840 562851550 /nfs/dbraw/zinc/85/15/50/562851550.db2.gz OIIBZFKNIUFBTG-SFHVURJKSA-N 1 0 534.650 1.972 1 0 KDAFRO COCCCOc1ccccc1N1CC(C)(C)N(C[C@H]([NH3+])[C@@H](O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1=O ZINC000169290818 562851838 /nfs/dbraw/zinc/85/18/38/562851838.db2.gz BXCBVLXRDQDAHX-GPXNEJASSA-N 1 0 577.767 1.507 1 0 KDAFRO CC[N@@H+]1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6C(=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000169291691 562851939 /nfs/dbraw/zinc/85/19/39/562851939.db2.gz VBFGMIUWGBSAGV-VOYSRZSHSA-N 1 0 666.768 1.589 1 0 KDAFRO COCCCOc1ccccc1N1CCN(C[C@H]([NH3+])[C@@H](O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)(C)C1=O ZINC000169292647 562852037 /nfs/dbraw/zinc/85/20/37/562852037.db2.gz VQDNVZMEUJZUNX-GPXNEJASSA-N 1 0 577.767 1.507 1 0 KDAFRO C[C@@H]1CN(c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)cn2)CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000169301407 562852916 /nfs/dbraw/zinc/85/29/16/562852916.db2.gz HQSZYKPELZPPLD-NGXZDTIWSA-N 1 0 530.629 1.221 1 0 KDAFRO 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](O)[C@@]12C=NN[C@@H]2C ZINC000169306113 562853528 /nfs/dbraw/zinc/85/35/28/562853528.db2.gz XEGUTQYCEAGWNF-SHQBJZRESA-N 1 0 625.804 1.936 1 0 KDAFRO CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)[C@H](O)C[C@H]1CCC[NH2+]1)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O)C(C)C ZINC000169312466 562855358 /nfs/dbraw/zinc/85/53/58/562855358.db2.gz MRKGKMGWEHUWQN-VIDHWKOLSA-N 1 0 634.863 1.291 1 0 KDAFRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]([NH3+])CSC(c2ccccc2)c2ccccc2)[C@H]1O ZINC000169314930 562855747 /nfs/dbraw/zinc/85/57/47/562855747.db2.gz KAYZHTXDZMMYRS-KGNLUTAVSA-N 1 0 563.684 1.478 1 0 KDAFRO C[C@@H]1CC(C)(C)[NH2+][C@@H](CCO[P@@](=O)(OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)N2CCCCC2)O1 ZINC000169316432 562855837 /nfs/dbraw/zinc/85/58/37/562855837.db2.gz HVXMPTPPASEDRI-KRSGURLSSA-N 1 0 548.549 1.845 1 0 KDAFRO C[C@@H]1CC(C)(C)[NH2+][C@H](CCO[P@@](=O)(OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)N2CCCCC2)O1 ZINC000169316436 562855821 /nfs/dbraw/zinc/85/58/21/562855821.db2.gz HVXMPTPPASEDRI-DQIZKPPJSA-N 1 0 548.549 1.845 1 0 KDAFRO NC(=[NH2+])NCCCCC(=O)N[C@@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000169319997 562856321 /nfs/dbraw/zinc/85/63/21/562856321.db2.gz UYKQLYDXQDCNTJ-IAWKOJBGSA-N 1 0 778.981 1.375 1 0 KDAFRO NC(=[NH2+])NCCCCCC(=O)N[C@@H](Cc1cccs1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000169320000 562856334 /nfs/dbraw/zinc/85/63/34/562856334.db2.gz KLJPNEHTISTCIP-RADHPKMDSA-N 1 0 793.008 1.765 1 0 KDAFRO CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC ZINC000169321022 562856523 /nfs/dbraw/zinc/85/65/23/562856523.db2.gz WZHKLEDIWDFXHV-RQKKIUEJSA-N 1 0 677.884 1.473 1 0 KDAFRO CC(C)CCn1c(=O)n2n(c1=O)[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc1ccc(C(N)=O)cc1)C=C[C@@H]2CC(C)C ZINC000169321814 562856761 /nfs/dbraw/zinc/85/67/61/562856761.db2.gz MTFCQAPOAHFDMX-CYXNTTPDSA-N 1 0 625.771 1.196 1 0 KDAFRO COc1ccc(-n2c(=O)n3n(c2=O)[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)C=C[C@@H]3CC(C)C)cc1 ZINC000169322141 562856809 /nfs/dbraw/zinc/85/68/09/562856809.db2.gz KTNICSCPSOLHGU-KZQOYIJHSA-N 1 0 661.760 1.148 1 0 KDAFRO CC[C@H]1OC(=O)C(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[N@H+](C)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000169327302 562858083 /nfs/dbraw/zinc/85/80/83/562858083.db2.gz BNCWXZLEYYCTCC-COWFYMLESA-N 1 0 602.810 1.838 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc2ccccc21 ZINC000169330903 562858812 /nfs/dbraw/zinc/85/88/12/562858812.db2.gz RAHFUGCGWMSYMW-LJWNLINESA-N 1 0 615.735 1.781 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc2ccccc21 ZINC000169330905 562858834 /nfs/dbraw/zinc/85/88/34/562858834.db2.gz RAHFUGCGWMSYMW-PUHABZHSSA-N 1 0 615.735 1.781 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1cccc2ccccc21 ZINC000169330906 562858829 /nfs/dbraw/zinc/85/88/29/562858829.db2.gz LOBFGOSEJXSZBH-LJWNLINESA-N 1 0 631.734 1.486 1 0 KDAFRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1cccc2ccccc21 ZINC000169330907 562858814 /nfs/dbraw/zinc/85/88/14/562858814.db2.gz LOBFGOSEJXSZBH-PUHABZHSSA-N 1 0 631.734 1.486 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2cccc3ccccc32)NC(=O)[C@@H]2CCCN2C1=O ZINC000169330908 562858870 /nfs/dbraw/zinc/85/88/70/562858870.db2.gz RXHGGONPLCYJAD-LJWNLINESA-N 1 0 597.720 1.867 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[C@@H](NC(=O)CCc2ccccc2)C(=O)CCNC1=O ZINC000169331134 562858881 /nfs/dbraw/zinc/85/88/81/562858881.db2.gz RJNBLFXNCCRWMD-IHWIRAEQSA-N 1 0 769.948 1.627 1 0 KDAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)N2[C@@H](C[C@H]3CCCC[C@@H]32)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC[C@@H](NC(=O)CCc2ccccc2)C(=O)CCNC1=O ZINC000169331135 562858902 /nfs/dbraw/zinc/85/89/02/562858902.db2.gz RJNBLFXNCCRWMD-NEMUTTQZSA-N 1 0 769.948 1.627 1 0 KDAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@@H]2[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(CCS2(=O)=O)C1 ZINC000169334796 562859536 /nfs/dbraw/zinc/85/95/36/562859536.db2.gz DUUWPCLWXKOBBX-QKYBYQKWSA-N 1 0 517.570 1.715 1 0 KDAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(CCS2(=O)=O)C1 ZINC000169334800 562859554 /nfs/dbraw/zinc/85/95/54/562859554.db2.gz DUUWPCLWXKOBBX-XJESJRCUSA-N 1 0 517.570 1.715 1 0 KDAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@@H]2[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(CCS2(=O)=O)C1 ZINC000169334803 562859534 /nfs/dbraw/zinc/85/95/34/562859534.db2.gz DUUWPCLWXKOBBX-VNHVOUQCSA-N 1 0 517.570 1.715 1 0 KDAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(CCS2(=O)=O)C1 ZINC000169334805 562859562 /nfs/dbraw/zinc/85/95/62/562859562.db2.gz DUUWPCLWXKOBBX-NEHCWNBQSA-N 1 0 517.570 1.715 1 0 KDAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334825 562859552 /nfs/dbraw/zinc/85/95/52/562859552.db2.gz IYXYBEIYEWFYOM-OXUVVOBNSA-N 1 0 546.612 1.561 1 0 KDAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334827 562859550 /nfs/dbraw/zinc/85/95/50/562859550.db2.gz IYXYBEIYEWFYOM-XSEKTIEYSA-N 1 0 546.612 1.561 1 0 KDAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334829 562859551 /nfs/dbraw/zinc/85/95/51/562859551.db2.gz IYXYBEIYEWFYOM-MYRUNHTGSA-N 1 0 546.612 1.561 1 0 KDAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334831 562859553 /nfs/dbraw/zinc/85/95/53/562859553.db2.gz IYXYBEIYEWFYOM-HRPWZWGESA-N 1 0 546.612 1.561 1 0 KDAFRO COc1ccc(Cn2c(=O)nc(NCCNC(N)=[NH2+])n(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000169335110 562859601 /nfs/dbraw/zinc/85/96/01/562859601.db2.gz AUXQYKOERNRLQF-UHFFFAOYSA-N 1 0 502.373 1.168 1 0 KDAFRO COc1ccc(Cn2c(NCCNC(N)=[NH2+])nc(=O)n(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000169335112 562859608 /nfs/dbraw/zinc/85/96/08/562859608.db2.gz IRCKZEUJNJUYCC-UHFFFAOYSA-N 1 0 502.373 1.168 1 0 in-vitro KDAFRO COc1ccc(Cn2c(=O)nc(NCCNC(N)=[NH2+])n(Cc3ccc(I)cc3)c2=O)cc1 ZINC000169335137 562859618 /nfs/dbraw/zinc/85/96/18/562859618.db2.gz XEYAHVMLUJTOGX-UHFFFAOYSA-N 1 0 549.373 1.010 1 0 KDAFRO COc1ccc(Cn2c(NCCNC(N)=[NH2+])nc(=O)n(Cc3ccc(I)cc3)c2=O)cc1 ZINC000169335138 562859587 /nfs/dbraw/zinc/85/95/87/562859587.db2.gz SFXSZUYUYWRMQO-UHFFFAOYSA-N 1 0 549.373 1.010 1 0 KDAFRO CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000169348381 562862200 /nfs/dbraw/zinc/86/22/00/562862200.db2.gz ZUZLOUZTYSWKTM-GASGPIRDSA-N 1 0 730.270 1.557 1 0 KDAFRO CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000169348382 562862227 /nfs/dbraw/zinc/86/22/27/562862227.db2.gz LFBJQXABZRZXDL-GASGPIRDSA-N 1 0 821.721 1.508 1 0 KDAFRO CC(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000169348383 562862203 /nfs/dbraw/zinc/86/22/03/562862203.db2.gz DZNQKHMNZLNNRU-XHPANXIASA-N 1 0 837.720 1.214 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349487 562862636 /nfs/dbraw/zinc/86/26/36/562862636.db2.gz VRKYHDRVUUOKKK-SYQUUIDJSA-N 1 0 920.591 1.857 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349488 562862628 /nfs/dbraw/zinc/86/26/28/562862628.db2.gz VRKYHDRVUUOKKK-MBEDZMRZSA-N 1 0 920.591 1.857 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349489 562862588 /nfs/dbraw/zinc/86/25/88/562862588.db2.gz GJZHLYIBXOWJKU-SYEZAVJTSA-N 1 0 806.706 1.479 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349491 562862587 /nfs/dbraw/zinc/86/25/87/562862587.db2.gz GJZHLYIBXOWJKU-BVEPWEIPSA-N 1 0 806.706 1.479 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349502 562862622 /nfs/dbraw/zinc/86/26/22/562862622.db2.gz PWZJAZOJNHGNAE-SYQUUIDJSA-N 1 0 920.591 1.857 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349503 562862635 /nfs/dbraw/zinc/86/26/35/562862635.db2.gz PWZJAZOJNHGNAE-MBEDZMRZSA-N 1 0 920.591 1.857 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349504 562862596 /nfs/dbraw/zinc/86/25/96/562862596.db2.gz HKVOSRMTVSSIAS-SYEZAVJTSA-N 1 0 806.706 1.479 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349505 562862595 /nfs/dbraw/zinc/86/25/95/562862595.db2.gz HKVOSRMTVSSIAS-BVEPWEIPSA-N 1 0 806.706 1.479 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349528 562862661 /nfs/dbraw/zinc/86/26/61/562862661.db2.gz HYDIJIIDKAQFOX-SYQUUIDJSA-N 1 0 829.140 1.906 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349529 562862645 /nfs/dbraw/zinc/86/26/45/562862645.db2.gz HYDIJIIDKAQFOX-MBEDZMRZSA-N 1 0 829.140 1.906 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349530 562862675 /nfs/dbraw/zinc/86/26/75/562862675.db2.gz LPLMVLIJRNIPDJ-SYEZAVJTSA-N 1 0 715.255 1.528 1 0 KDAFRO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349532 562862684 /nfs/dbraw/zinc/86/26/84/562862684.db2.gz LPLMVLIJRNIPDJ-BVEPWEIPSA-N 1 0 715.255 1.528 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349746 562862690 /nfs/dbraw/zinc/86/26/90/562862690.db2.gz RJGBLVZDUPPRKD-SYQUUIDJSA-N 1 0 829.140 1.906 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349747 562862686 /nfs/dbraw/zinc/86/26/86/562862686.db2.gz RJGBLVZDUPPRKD-MBEDZMRZSA-N 1 0 829.140 1.906 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349749 562862712 /nfs/dbraw/zinc/86/27/12/562862712.db2.gz UDTDAUDLFJWRTA-SYEZAVJTSA-N 1 0 715.255 1.528 1 0 KDAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349750 562862720 /nfs/dbraw/zinc/86/27/20/562862720.db2.gz UDTDAUDLFJWRTA-BVEPWEIPSA-N 1 0 715.255 1.528 1 0 KDAFRO CC[N@@H+]1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000169368512 562864614 /nfs/dbraw/zinc/86/46/14/562864614.db2.gz GFWYSOWSJXKFFQ-WBLXQRKYSA-N 1 0 668.784 1.381 1 0 KDAFRO O=C(NCCOc1ccccc1)[C@@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H](O5)C1=O ZINC000169694453 562865258 /nfs/dbraw/zinc/86/52/58/562865258.db2.gz VWXPCRAFSSKJNE-LKAHNZHJSA-N 1 0 504.583 1.947 1 0 KDAFRO O=C(NCCOc1ccccc1)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H](O5)C1=O ZINC000169694455 562865252 /nfs/dbraw/zinc/86/52/52/562865252.db2.gz VWXPCRAFSSKJNE-BCTJHDQDSA-N 1 0 504.583 1.947 1 0 KDAFRO Cc1noc(C(C)(C)NC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@@H](O6)C2=O)n1 ZINC000169694485 562865337 /nfs/dbraw/zinc/86/53/37/562865337.db2.gz XWBHWGSSPMESLQ-PPRYKFTDSA-N 1 0 508.575 1.494 1 0 KDAFRO Cc1noc(C(C)(C)NC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@@H](O6)C2=O)n1 ZINC000169694486 562865349 /nfs/dbraw/zinc/86/53/49/562865349.db2.gz XWBHWGSSPMESLQ-UZFLDWNUSA-N 1 0 508.575 1.494 1 0 KDAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]([NH3+])[C@@](O)(CCO)CC1 ZINC000169699542 562867606 /nfs/dbraw/zinc/86/76/06/562867606.db2.gz RGUPSCYHIZRBRO-QRQCRPRQSA-N 1 0 507.567 1.697 1 0 KDAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H]([NH3+])[C@@](O)(CCO)CC1 ZINC000169699543 562867586 /nfs/dbraw/zinc/86/75/86/562867586.db2.gz RGUPSCYHIZRBRO-NYHFZMIOSA-N 1 0 507.567 1.697 1 0 KDAFRO COCCCOc1ccccc1N1CCN(C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)(C)C1=O ZINC000195404890 562871782 /nfs/dbraw/zinc/87/17/82/562871782.db2.gz VQDNVZMEUJZUNX-FIXSFTCYSA-N 1 0 577.767 1.507 1 0 KDAFRO CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-])C(C)C ZINC000195907011 562872385 /nfs/dbraw/zinc/87/23/85/562872385.db2.gz MHTAOFNATLIOTI-YBEDAUBBSA-N 1 0 723.916 1.159 1 0 KDAFRO O=C(c1nn([C@@H]2CCN(CC[N@H+]3CC[C@@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561565 562873997 /nfs/dbraw/zinc/87/39/97/562873997.db2.gz MDBPGMMGPFYUIX-RTBURBONSA-N 1 0 517.627 1.600 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000204170734 562874380 /nfs/dbraw/zinc/87/43/80/562874380.db2.gz ZBQMUNGOIYWELO-MZBJOSPHSA-N 1 0 563.699 1.453 1 0 KDAFRO CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 ZINC000204203079 562874407 /nfs/dbraw/zinc/87/44/07/562874407.db2.gz SJCXJPNTAQTRPG-NGYIFUPDSA-N 1 0 543.709 1.390 1 0 KDAFRO O=C(c1nn([C@@H]2CCN(CC[N@H+]3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000204629452 562874551 /nfs/dbraw/zinc/87/45/51/562874551.db2.gz MDBPGMMGPFYUIX-RBUKOAKNSA-N 1 0 517.627 1.600 1 0 KDAFRO O=C(c1nn([C@H]2CCN(CC[N@H+]3CC[C@H](F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000204629465 562874562 /nfs/dbraw/zinc/87/45/62/562874562.db2.gz MDBPGMMGPFYUIX-OALUTQOASA-N 1 0 517.627 1.600 1 0 KDAFRO NC(=O)n1cc(NC(=O)N2C[C@@](O)(C[NH3+])C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000205039702 562874824 /nfs/dbraw/zinc/87/48/24/562874824.db2.gz XFYDBJXLOVUWPM-MBSDFSHPSA-N 1 0 502.934 1.973 1 0 KDAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(N)=O ZINC000208995714 562876845 /nfs/dbraw/zinc/87/68/45/562876845.db2.gz OSHWDIGDZUBUHH-ZZTWKDBPSA-N 1 0 774.001 1.724 1 0 KDAFRO CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@H](Cc2ccccc2)[NH2+]CCC2OCC(C)(C)CO2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000209638594 562876909 /nfs/dbraw/zinc/87/69/09/562876909.db2.gz TXZDGSNSGDXWCQ-BPATWYFLSA-N 1 0 636.695 1.176 1 0 KDAFRO CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)[NH2+]CCC2OCC(C)(C)CO2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000209645303 562876973 /nfs/dbraw/zinc/87/69/73/562876973.db2.gz BMCUIVRPHNDKOX-OKYYERBZSA-N 1 0 675.732 1.657 1 0 KDAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H]([NH3+])[C@](O)(CCO)CC1 ZINC000209926047 562877003 /nfs/dbraw/zinc/87/70/03/562877003.db2.gz RGUPSCYHIZRBRO-OYHNWAKOSA-N 1 0 507.567 1.697 1 0 KDAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H]([NH3+])[C@](O)(CCO)CC1 ZINC000209926085 562876979 /nfs/dbraw/zinc/87/69/79/562876979.db2.gz RGUPSCYHIZRBRO-IVZQSRNASA-N 1 0 507.567 1.697 1 0 KDAFRO NC(=O)[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)C[C@]13CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc41)[C@@H]3C2 ZINC000218960371 562877947 /nfs/dbraw/zinc/87/79/47/562877947.db2.gz VGUBZKZZHZLVPY-SEZQQHBBSA-N 1 0 502.615 1.864 1 0 KDAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]([NH3+])CC(=O)[O-])[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221197592 562878790 /nfs/dbraw/zinc/87/87/90/562878790.db2.gz ZQDXNUMNMWNIDU-CUOIVDKJSA-N 1 0 511.619 1.535 1 0 KDAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(N)=O)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221238848 562878896 /nfs/dbraw/zinc/87/88/96/562878896.db2.gz PUKVTBLWMLMNNB-RQDKNVRVSA-N 1 0 552.672 1.113 1 0 KDAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221251352 562878883 /nfs/dbraw/zinc/87/88/83/562878883.db2.gz ABXSDMRQPSIMCL-PCXWVTKASA-N 1 0 525.646 1.230 1 0 KDAFRO C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c[n+]([O-])c(Cc4ccc(F)cc4F)cc32)[C@@H](C(=O)N(C)C)C[NH2+]1 ZINC000221257518 562878874 /nfs/dbraw/zinc/87/88/74/562878874.db2.gz WGKDQKMBECLCQO-WAIKUNEKSA-N 1 0 501.578 1.564 1 0 KDAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000230586649 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YPWWBVVYWUQFRG-WNMGUVTHSA-N 1 0 523.521 1.430 1 0 KDAFRO NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000299856448 562891925 /nfs/dbraw/zinc/89/19/25/562891925.db2.gz BYINXJDULLMKJB-AMEOFWRWSA-N 1 0 585.705 1.583 1 0 KDAFRO Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](C[C@H]2NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C3(C)C)CC1 ZINC000299857318 562892174 /nfs/dbraw/zinc/89/21/74/562892174.db2.gz MWIASLNTAGRGGA-PLVHLFARSA-N 1 0 554.779 1.520 1 0 KDAFRO C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000299858956 562892568 /nfs/dbraw/zinc/89/25/68/562892568.db2.gz FHSGULRVYLHXFO-MWKHDSPVSA-N 1 0 806.965 1.134 1 0 KDAFRO NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000299859236 562892657 /nfs/dbraw/zinc/89/26/57/562892657.db2.gz FOGFWINYWDEIRC-CEGHPUJGSA-N 1 0 640.741 1.036 1 0 KDAFRO 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/nfs/dbraw/zinc/89/43/39/562894339.db2.gz SQUAUCLQDKENKJ-HVRNLMOBSA-N 1 0 860.758 1.989 1 0 KDAFRO CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000299865825 562894507 /nfs/dbraw/zinc/89/45/07/562894507.db2.gz UQWFKBAOMZECOP-LJADHVKFSA-N 1 0 763.937 1.607 1 0 KDAFRO NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000299865877 562894531 /nfs/dbraw/zinc/89/45/31/562894531.db2.gz OFQPVOXAKAHCAF-NKVOBILMSA-N 1 0 651.764 1.707 1 0 KDAFRO NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000299865878 562894522 /nfs/dbraw/zinc/89/45/22/562894522.db2.gz OFQPVOXAKAHCAF-PMUGGPHNSA-N 1 0 651.764 1.707 1 0 KDAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000299867823 562894929 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VYPXWZHAUNVZPU-KVJCXPBNSA-N 1 0 640.741 1.036 1 0 KDAFRO NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000299870173 562895435 /nfs/dbraw/zinc/89/54/35/562895435.db2.gz VYPXWZHAUNVZPU-PZBSVLGOSA-N 1 0 640.741 1.036 1 0 KDAFRO 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)Cc2ccccc2)C1=O ZINC000299870736 562895557 /nfs/dbraw/zinc/89/55/57/562895557.db2.gz WWUPAOQRBLVDHW-DSPMFFIESA-N 1 0 699.853 1.931 1 0 KDAFRO O=c1ccc2ncc(F)c3c2n1C[C@]3(O)CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299871108 562895657 /nfs/dbraw/zinc/89/56/57/562895657.db2.gz XTHQMKOHGLBSON-NRUKRLKBSA-N 1 0 507.522 1.724 1 0 KDAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000299871795 562895785 /nfs/dbraw/zinc/89/57/85/562895785.db2.gz ZHRDZRHDSVTLHW-AMEOFWRWSA-N 1 0 585.705 1.583 1 0 KDAFRO COc1ccc(C(=Cc2ccc(S(C)(=O)=O)cc2)C(=O)OCCN(C)[N+](O)=NOCOC(C)=O)cc1 ZINC000377806649 562895958 /nfs/dbraw/zinc/89/59/58/562895958.db2.gz ZHEAHXFHSPMJDK-PXLXIMEGSA-N 1 0 522.556 1.765 1 0 KDAFRO CCC[C@@H](OC(=O)CCC(=O)N1CCN([N+](O)=NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848794 562896388 /nfs/dbraw/zinc/89/63/88/562896388.db2.gz WUZZYYSMWDWJRS-CYBMUJFWSA-N 1 0 569.227 1.825 1 0 KDAFRO CCC[C@H](OC(=O)CCC(=O)N1CCN([N+](O)=NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848795 562896387 /nfs/dbraw/zinc/89/63/87/562896387.db2.gz WUZZYYSMWDWJRS-ZDUSSCGKSA-N 1 0 569.227 1.825 1 0 KDAFRO [NH3+]C[C@H]1O[C@@H](O[C@H](c2cn(CCCCCCCCCCOc3ccc(C(=O)c4ccccc4)cc3)nn2)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O ZINC000473082775 562896737 /nfs/dbraw/zinc/89/67/37/562896737.db2.gz LEJRHWXVWGXDKU-JPXKDSLWSA-N 1 0 778.860 1.754 1 0 KDAFRO COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OC[C@H]([NH3+])[C@@H]23)cc1 ZINC000473093472 562897775 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1 0 795.860 1.498 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)NC1=O ZINC000473135024 562900627 /nfs/dbraw/zinc/90/06/27/562900627.db2.gz KSHPZZJWHIWTSE-WUXKFAKNSA-N 1 0 795.860 1.498 1 0 KDAFRO CC(=O)Nc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000473154686 562902267 /nfs/dbraw/zinc/90/22/67/562902267.db2.gz KISLFRKSBCYWLR-KCHLEUMXSA-N 1 0 586.693 1.943 1 0 KDAFRO NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000473154697 562902243 /nfs/dbraw/zinc/90/22/43/562902243.db2.gz KLTZOLROWNTNDX-SDHOMARFSA-N 1 0 530.629 1.379 1 0 KDAFRO NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000473154807 562902251 /nfs/dbraw/zinc/90/22/51/562902251.db2.gz LXOCVTAXUYTNTO-SDHOMARFSA-N 1 0 530.629 1.379 1 0 KDAFRO NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cccc(N)c1)NC(=O)c1ccccc1)c1ccccc1 ZINC000473155247 562902372 /nfs/dbraw/zinc/90/23/72/562902372.db2.gz QTZWYEOZTIHRAY-GSDHBNRESA-N 1 0 544.656 1.567 1 0 KDAFRO Cn1ccc(COc2cnc3ccc(=O)n(CCN4CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)CC4)c3c2)n1 ZINC000473166895 562903026 /nfs/dbraw/zinc/90/30/26/562903026.db2.gz GISBAKKWFIFRHL-UHFFFAOYSA-N 1 0 544.616 1.689 1 0 KDAFRO NS(=O)(=O)c1ccc(Oc2ccc3ccc(=O)n(CCN4CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)cc1 ZINC000473169183 562903144 /nfs/dbraw/zinc/90/31/44/562903144.db2.gz MIRDMQMKFMHKMB-UHFFFAOYSA-N 1 0 605.677 1.816 1 0 KDAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCn4c(=O)ccc5ncc(OCc6cccnn6)cc54)CC3)nc2N1 ZINC000473169319 562903125 /nfs/dbraw/zinc/90/31/25/562903125.db2.gz NLFMOVGVGLEJHC-UHFFFAOYSA-N 1 0 542.600 1.746 1 0 KDAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCn4c(=O)ccc5ccc(Oc6cncnc6)nc54)CC3)nc2N1 ZINC000473171800 562903266 /nfs/dbraw/zinc/90/32/66/562903266.db2.gz VVKPYCRUFDVEOY-UHFFFAOYSA-N 1 0 528.573 1.959 1 0 KDAFRO O=c1ccc2ncc(O[C@H]3CCOC3)cc2n1CCN1CCC([NH2+]Cc2ccc3c(n2)NC(=O)CO3)CC1 ZINC000473171839 562903289 /nfs/dbraw/zinc/90/32/89/562903289.db2.gz WAVHAGZFFINPKM-FQEVSTJZSA-N 1 0 520.590 1.544 1 0 KDAFRO O=c1ccc2ncc(O[C@@H]3CCOC3)cc2n1CCN1CCC([NH2+]Cc2ccc3c(n2)NC(=O)CO3)CC1 ZINC000473171849 562903287 /nfs/dbraw/zinc/90/32/87/562903287.db2.gz WAVHAGZFFINPKM-HXUWFJFHSA-N 1 0 520.590 1.544 1 0 KDAFRO O=C(c1nn([C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000473210110 562903796 /nfs/dbraw/zinc/90/37/96/562903796.db2.gz DFESDZGEOSBXMQ-IAGOWNOFSA-N 1 0 504.584 1.732 1 0 KDAFRO O=C(c1nn([C@H]2CC[N@H+](C[C@H]3CCOC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000473210122 562903788 /nfs/dbraw/zinc/90/37/88/562903788.db2.gz DFESDZGEOSBXMQ-SJORKVTESA-N 1 0 504.584 1.732 1 0 KDAFRO O=C(c1nn([C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000473210239 562903831 /nfs/dbraw/zinc/90/38/31/562903831.db2.gz QPTYEYDIOWOEAT-MOPGFXCFSA-N 1 0 500.621 1.983 1 0 KDAFRO O=C(c1nn([C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000473210240 562903784 /nfs/dbraw/zinc/90/37/84/562903784.db2.gz QPTYEYDIOWOEAT-RTBURBONSA-N 1 0 500.621 1.983 1 0 KDAFRO CCN1CCN2CCS(=O)(=O)N(C)c3cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)cc1c32 ZINC000473244992 562904909 /nfs/dbraw/zinc/90/49/09/562904909.db2.gz RQHVHSQZKLCFAF-WIOPSUGQSA-N 1 0 527.691 1.567 1 0 KDAFRO NC(=O)[C@H]1CSCSC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1 ZINC000653688512 562906583 /nfs/dbraw/zinc/90/65/83/562906583.db2.gz FWDMWCQXNFZSCZ-AGGIAQGOSA-N 1 0 742.924 1.763 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O ZINC000653698582 562907152 /nfs/dbraw/zinc/90/71/52/562907152.db2.gz ADGBJGBZINGZOT-DUQWPARQSA-N 1 0 777.923 1.632 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cccc3ccccc32)NC1=O ZINC000653698605 562907193 /nfs/dbraw/zinc/90/71/93/562907193.db2.gz ITLYXDNRBUUVNH-DUQWPARQSA-N 1 0 777.923 1.632 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@@H](Cc2cccc3ccccc32)NC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000653698614 562907179 /nfs/dbraw/zinc/90/71/79/562907179.db2.gz KZPMZJUWJIEYBH-DUQWPARQSA-N 1 0 777.923 1.632 1 0 KDAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000653698616 562907200 /nfs/dbraw/zinc/90/72/00/562907200.db2.gz LVBGVSFZIBQZKG-DUQWPARQSA-N 1 0 777.923 1.632 1 0 KDAFRO C[C@H]1CC[C@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@@]2(C)O ZINC000653723880 562908956 /nfs/dbraw/zinc/90/89/56/562908956.db2.gz DHQFYEJMFMYGCV-NMDIPQQOSA-N 1 0 591.786 1.711 1 0 KDAFRO Cc1cc(C[C@H](NC(=O)COc2ccc(C3=[N+](O)C(C)(C)C(C)(C)N3O)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])ccc1O ZINC000653726565 562909213 /nfs/dbraw/zinc/90/92/13/562909213.db2.gz LBKMAPOMGCKVCP-GOTSBHOMSA-N 1 0 640.718 1.115 1 0 KDAFRO CN1CCN(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=CS(=O)(=O)c2ccccn2)CCc2ccccc2)CC1 ZINC000653726583 562909194 /nfs/dbraw/zinc/90/91/94/562909194.db2.gz VDOWMJLHCGQODE-JGFKBXGXSA-N 1 0 584.747 1.075 1 0 KDAFRO CCc1cc(O)ccc1C[C@H](NC(=O)COc1ccc(C2=[N+](O)C(C)(C)C(C)(C)N2O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000653729213 562909339 /nfs/dbraw/zinc/90/93/39/562909339.db2.gz FMTWTJRIWUSYLM-DQEYMECFSA-N 1 0 654.745 1.369 1 0 KDAFRO CC1(C)N(O)C(c2ccc(OCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])cc2)=[N+](O)C1(C)C ZINC000653729249 562909362 /nfs/dbraw/zinc/90/93/62/562909362.db2.gz QMQYBDQWGWADEI-ZEQRLZLVSA-N 1 0 598.677 1.672 1 0 KDAFRO COc1ccc2ncc(F)c(C[C@H](NS(C)(=O)=O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000653767621 562911682 /nfs/dbraw/zinc/91/16/82/562911682.db2.gz JQEWMOLPADBTGH-HTFLBPPUSA-N 1 0 586.646 1.835 1 0 KDAFRO COc1ccc2ncc(F)c(C[C@@H](NS(C)(=O)=O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000653767622 562911686 /nfs/dbraw/zinc/91/16/86/562911686.db2.gz JQEWMOLPADBTGH-QJYLRPAKSA-N 1 0 586.646 1.835 1 0 KDAFRO CON([C@@H]1OC[C@@H](O)[C@H]([NH3+])[C@H]1O)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 ZINC000653783586 562912265 /nfs/dbraw/zinc/91/22/65/562912265.db2.gz AMZPYZYAWKIJKL-BDSKSTJTSA-N 1 0 534.694 1.881 1 0 KDAFRO CON([C@@H]1OC[C@@H]([NH3+])[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 ZINC000653784801 562912301 /nfs/dbraw/zinc/91/23/01/562912301.db2.gz JUYNKRXNPLJCKS-BDSKSTJTSA-N 1 0 534.694 1.881 1 0 KDAFRO CON([C@@H]1O[C@H](CO)[C@@H]([NH3+])[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 ZINC000653795662 562913098 /nfs/dbraw/zinc/91/30/98/562913098.db2.gz PPFLDHRRCNKEGD-KOKSSOCVSA-N 1 0 564.720 1.242 1 0 KDAFRO CON([C@@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O)[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 ZINC000653798107 562913169 /nfs/dbraw/zinc/91/31/69/562913169.db2.gz VHGGTRGFKQUBMR-CQRJEZGTSA-N 1 0 564.720 1.242 1 0 KDAFRO NC(=NC(=O)NCC[NH3+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000653799680 562913343 /nfs/dbraw/zinc/91/33/43/562913343.db2.gz OEMPVNGCQGNKCJ-RUZDIDTESA-N 1 0 559.671 1.888 1 0 KDAFRO C[NH+](C)CCN1CCN(c2nc(-c3ccccn3)nc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1 ZINC000653806224 562913728 /nfs/dbraw/zinc/91/37/28/562913728.db2.gz DIOSKGBARQYJSE-UHFFFAOYSA-N 1 0 507.664 1.969 1 0 KDAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653812598 562913865 /nfs/dbraw/zinc/91/38/65/562913865.db2.gz BPPSKCFCPFIWFY-BJKOFHAPSA-N 1 0 516.602 1.970 1 0 KDAFRO C[NH+](C)C1CCN(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc4c(cc2Cl)NC(=O)C4)C3)CC1 ZINC000653849304 562915402 /nfs/dbraw/zinc/91/54/02/562915402.db2.gz RBXGJSXTTZNUCX-VBUUOAMHSA-N 1 0 510.060 1.831 1 0 KDAFRO O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1CC[NH+](CCCO)CC1)c1cc2c(cc1Cl)NC(=O)C2 ZINC000653851520 562915565 /nfs/dbraw/zinc/91/55/65/562915565.db2.gz CWEYDMDMNCOZBA-ACDBMABISA-N 1 0 539.098 1.984 1 0 KDAFRO CC[C@]1(OC(=O)CCC(=O)NCCCC[C@H]([NH3+])C(N)=O)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000653851666 562915583 /nfs/dbraw/zinc/91/55/83/562915583.db2.gz URTJXNLIWSTAEU-JRPXNJEYSA-N 1 0 575.622 1.510 1 0 KDAFRO CCc1cc(-c2noc(-c3cc(C)c(C[N@H+](C)CCO)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653856811 562915749 /nfs/dbraw/zinc/91/57/49/562915749.db2.gz CAKSVMZMPSHZHG-IBGZPJMESA-N 1 0 518.636 1.917 1 0 KDAFRO CC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653866631 562916195 /nfs/dbraw/zinc/91/61/95/562916195.db2.gz PWLGWEMDKJZRBW-AWCRTANDSA-N 1 0 683.924 1.381 1 0 KDAFRO CC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653866632 562916220 /nfs/dbraw/zinc/91/62/20/562916220.db2.gz PWLGWEMDKJZRBW-SSBOKUKZSA-N 1 0 683.924 1.381 1 0 KDAFRO CC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653866633 562916209 /nfs/dbraw/zinc/91/62/09/562916209.db2.gz PWLGWEMDKJZRBW-ULNSLHSMSA-N 1 0 683.924 1.381 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN2CC[NH2+]CC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000653870730 562916401 /nfs/dbraw/zinc/91/64/01/562916401.db2.gz NKMJBNPKZAWEFD-NKZKHMIMSA-N 1 0 749.958 1.327 1 0 KDAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(N2CC[NH2+]CC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000653873812 562916547 /nfs/dbraw/zinc/91/65/47/562916547.db2.gz PTGQMXBBAJPDIZ-PKAIDYEGSA-N 1 0 735.931 1.332 1 0 KDAFRO CCC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653885932 562916934 /nfs/dbraw/zinc/91/69/34/562916934.db2.gz DEFAYNRLVWAXIN-DTXPUJKBSA-N 1 0 697.951 1.771 1 0 KDAFRO CCC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653885933 562916949 /nfs/dbraw/zinc/91/69/49/562916949.db2.gz DEFAYNRLVWAXIN-DYIKCSJPSA-N 1 0 697.951 1.771 1 0 KDAFRO CCC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653885934 562916939 /nfs/dbraw/zinc/91/69/39/562916939.db2.gz DEFAYNRLVWAXIN-NGDRWEMDSA-N 1 0 697.951 1.771 1 0 KDAFRO CCC[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653885935 562916969 /nfs/dbraw/zinc/91/69/69/562916969.db2.gz DEFAYNRLVWAXIN-OIFRRMEBSA-N 1 0 697.951 1.771 1 0 KDAFRO COC(=O)[C@H](CO)n1cc(-c2cc(C(=O)N3CC[NH2+]CC3)cc(-c3cn([C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)nn3)c2)nn1 ZINC000017307057 561754690 /nfs/dbraw/zinc/75/46/90/561754690.db2.gz QTXPWISWAMCTHS-NSOVKSMOSA-N 1 0 627.662 1.394 3 0 KDAFRO COC(=O)[C@H](CCCC[NH3+])n1cc(-c2cc(C(=O)N3CC[NH2+]CC3)cc(-c3cn([C@@H](CC(C)C)C(=O)[O-])nn3)c2)nn1 ZINC000017307060 561754666 /nfs/dbraw/zinc/75/46/66/561754666.db2.gz BANPBRSDRZEQFR-DQEYMECFSA-N 1 0 581.678 1.764 3 0 KDAFRO CC[C@H](C)[C@@H](C(=O)[O-])n1cc(-c2cc(C(=O)N3CC[NH2+]CC3)cc(-c3cn([C@@H](CCCC[NH3+])C(=O)OC)nn3)c2)nn1 ZINC000017307080 561754682 /nfs/dbraw/zinc/75/46/82/561754682.db2.gz ADLGTMFXGGYNLF-WDNCENIBSA-N 1 0 581.678 1.764 3 0 KDAFRO CC[C@H](C)[C@H](C(=O)[O-])n1cc(-c2cc(C(=O)N3CC[NH2+]CC3)cc(-c3cn([C@@H](CCCC[NH3+])C(=O)OC)nn3)c2)nn1 ZINC000017307082 561754678 /nfs/dbraw/zinc/75/46/78/561754678.db2.gz ADLGTMFXGGYNLF-RIEVBORMSA-N 1 0 581.678 1.764 3 0 KDAFRO CC[NH+](CC)CCCN1C(=O)C2=C(C1=O)[C@@H]1N(C)c3ccccc3[C@@]13C[C@@H](CO)N(C(=O)CCC(=O)OC)C3=N2 ZINC000038142310 562063517 /nfs/dbraw/zinc/06/35/17/562063517.db2.gz BJROSGATEHYFKA-PRNOATFWSA-N 1 0 551.644 1.056 3 0 KDAFRO COc1cc(CN2C[C@H](n3cnc4c3ncnc4NCC[NH+](C)C)O[C@H](CO)C2)cc(OC)c1OC ZINC000061898902 562702958 /nfs/dbraw/zinc/70/29/58/562702958.db2.gz IEXDCXGDEHHXMS-FXAWDEMLSA-N 1 0 501.588 1.218 3 0 KDAFRO Nc1ccn([C@@H]2O[C@H](C[NH2+]Cc3cc(Br)ccc3OCc3ccccc3)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000061922354 562703333 /nfs/dbraw/zinc/70/33/33/562703333.db2.gz QDCXDDLJEAGVQY-ZHHKINOHSA-N 1 0 517.380 1.576 3 0 KDAFRO COc1cc(C[NH2+]C[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)ccc1OCc1cccc(Cl)c1 ZINC000061922357 562703345 /nfs/dbraw/zinc/70/33/45/562703345.db2.gz RKWKZAKZAHXYNR-JMJGKCIBSA-N 1 0 502.955 1.476 3 0 KDAFRO COc1cccc(C[NH2+]C[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)c1OCc1ccc(F)cc1Cl ZINC000061922369 562703359 /nfs/dbraw/zinc/70/33/59/562703359.db2.gz OWTDFADKUXQOBY-KTDPBYDISA-N 1 0 520.945 1.615 3 0 KDAFRO NC(=O)c1ncn([C@@H]2O[C@H](C[NH2+]Cc3ccccc3OCc3ccc(Cl)cc3Cl)[C@@H](O)[C@H]2O)n1 ZINC000061935889 562703693 /nfs/dbraw/zinc/70/36/93/562703693.db2.gz JNMMVFYWLTXPEC-JPAWQOSXSA-N 1 0 508.362 1.672 3 0 KDAFRO NC(=O)c1ncn([C@@H]2O[C@H](C[NH2+]Cc3cc(Br)ccc3OCc3ccccc3)[C@@H](O)[C@H]2O)n1 ZINC000061935907 562703675 /nfs/dbraw/zinc/70/36/75/562703675.db2.gz MTMKPGIYSMPKHO-JPAWQOSXSA-N 1 0 518.368 1.128 3 0 KDAFRO NC(=O)c1ncn([C@@H]2O[C@H](C[NH2+]Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3)[C@@H](O)[C@H]2O)n1 ZINC000061935909 562703695 /nfs/dbraw/zinc/70/36/95/562703695.db2.gz JFPPIFBNCSSHSK-JPAWQOSXSA-N 1 0 508.362 1.672 3 0 KDAFRO NC(=O)c1ncn([C@@H]2O[C@H](C[NH2+]Cc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)[C@@H](O)[C@H]2O)n1 ZINC000061935924 562703700 /nfs/dbraw/zinc/70/37/00/562703700.db2.gz UHEWOYUFRNXICG-YKTARERQSA-N 1 0 501.849 1.718 3 0 KDAFRO COc1cc(C[NH2+]C[C@H]2O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]2O)ccc1OCc1cccc(Cl)c1 ZINC000061935932 562703669 /nfs/dbraw/zinc/70/36/69/562703669.db2.gz JOXCGDNUDZZVFP-GLHSZLCASA-N 1 0 503.943 1.027 3 0 KDAFRO O=c1ccn([C@@H]2O[C@H](C[NH2+]Cc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000061935949 562703684 /nfs/dbraw/zinc/70/36/84/562703684.db2.gz NNFNSQRVNDFZRJ-NXWXRZEISA-N 1 0 501.845 1.878 3 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O ZINC000061947888 562704126 /nfs/dbraw/zinc/70/41/26/562704126.db2.gz GORUJOSOESRPQD-YZZKKUAISA-N 1 0 508.583 1.059 3 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O ZINC000061947916 562704176 /nfs/dbraw/zinc/70/41/76/562704176.db2.gz MRTUDWMGPLDFDG-XLNZFTOWSA-N 1 0 507.595 1.664 3 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CC2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O ZINC000061948308 562704223 /nfs/dbraw/zinc/70/42/23/562704223.db2.gz BXHKLYFZUTWVEV-DFIYOIEZSA-N 1 0 502.656 1.909 3 0 KDAFRO C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000061959241 562704293 /nfs/dbraw/zinc/70/42/93/562704293.db2.gz IPQRQDFUEOXIKM-WMZOPIPTSA-N 1 0 501.584 1.841 3 0 KDAFRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2O[C@@H](n3cnc4c3ncnc4N)[C@H](O)[C@@H]2O)cc1 ZINC000066148149 562713598 /nfs/dbraw/zinc/71/35/98/562713598.db2.gz RIXJXUNMMAPEEE-ZCIWVVNKSA-N 1 0 528.573 1.679 3 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O ZINC000066167287 562714307 /nfs/dbraw/zinc/71/43/07/562714307.db2.gz UPHBCCJIXQZIIG-YYULODDRSA-N 1 0 551.604 1.393 3 0 KDAFRO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=O)[C@H](O)[C@@H]2O)cc1 ZINC000072122066 562724384 /nfs/dbraw/zinc/72/43/84/562724384.db2.gz GFEOPTPFGXEMJO-VJUOEERUSA-N 1 0 544.572 1.384 3 0 KDAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000072137673 562728361 /nfs/dbraw/zinc/72/83/61/562728361.db2.gz MSGDIDWYZNYHQU-XLGIIRLISA-N 1 0 541.697 1.327 3 0 KDAFRO O=c1ccn([C@@H]2O[C@H](C[NH2+]Cc3c(OCc4ccccc4F)ccc4ccccc43)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000072138186 562728683 /nfs/dbraw/zinc/72/86/83/562728683.db2.gz ZAJCUQSAMUZGHM-VNSJUHMKSA-N 1 0 507.518 1.817 3 0 KDAFRO O=c1ccn([C@@H]2O[C@H](C[NH2+]Cc3ccccc3OCc3ccc(Cl)cc3Cl)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000072138208 562728714 /nfs/dbraw/zinc/72/87/14/562728714.db2.gz MGNBGYXTLJFUDV-ZHHKINOHSA-N 1 0 508.358 1.831 3 0 KDAFRO COc1cccc(C[NH2+]C[C@H]2O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]2O)c1OCc1ccc(F)cc1Cl ZINC000072138458 562728759 /nfs/dbraw/zinc/72/87/59/562728759.db2.gz FVDOVVMOIORDJV-FZONSQQESA-N 1 0 521.933 1.166 3 0 KDAFRO C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000072142510 562729524 /nfs/dbraw/zinc/72/95/24/562729524.db2.gz MSGDIDWYZNYHQU-DRLORSAXSA-N 1 0 541.697 1.327 3 0 KDAFRO C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095566717 562765204 /nfs/dbraw/zinc/76/52/04/562765204.db2.gz MSGDIDWYZNYHQU-MCEYFSPLSA-N 1 0 541.697 1.327 3 0 KDAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)OCc2cn(nn2)CCCC1=O ZINC000095567742 562766046 /nfs/dbraw/zinc/76/60/46/562766046.db2.gz AFGWKCDRVGDDFW-AOJNWGRGSA-N 1 0 556.712 1.718 3 0 KDAFRO CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@H](C(=O)N3CCOCC3)[C@@]12C ZINC000095567914 562766176 /nfs/dbraw/zinc/76/61/76/562766176.db2.gz RSOPSSZGFKZPJY-CBBCSGBYSA-N 1 0 608.784 1.742 3 0 KDAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095568710 562766832 /nfs/dbraw/zinc/76/68/32/562766832.db2.gz LMWGPKORGYIWNW-TVZXLZGTSA-N 1 0 556.712 1.718 3 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095569495 562767452 /nfs/dbraw/zinc/76/74/52/562767452.db2.gz MSGDIDWYZNYHQU-VRUMLPLGSA-N 1 0 541.697 1.327 3 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095569525 562767500 /nfs/dbraw/zinc/76/75/00/562767500.db2.gz LMWGPKORGYIWNW-VVZHRXSXSA-N 1 0 556.712 1.718 3 0 KDAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095569823 562767723 /nfs/dbraw/zinc/76/77/23/562767723.db2.gz MSGDIDWYZNYHQU-AOJNWGRGSA-N 1 0 541.697 1.327 3 0 KDAFRO C[NH+](C)CCN1CCN([C@@H]2CN(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000095569850 562767693 /nfs/dbraw/zinc/76/76/93/562767693.db2.gz CBMOZMMCWGJWBF-OAQYLSRUSA-N 1 0 515.606 1.038 3 0 KDAFRO C[NH+](C)CCN1CCN([C@H]2CN(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000095569851 562767713 /nfs/dbraw/zinc/76/77/13/562767713.db2.gz CBMOZMMCWGJWBF-NRFANRHFSA-N 1 0 515.606 1.038 3 0 KDAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095570176 562767953 /nfs/dbraw/zinc/76/79/53/562767953.db2.gz MSGDIDWYZNYHQU-TVZXLZGTSA-N 1 0 541.697 1.327 3 0 KDAFRO COc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4cc(N5CC[NH+](C)CC5)ccc4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000095570324 562768127 /nfs/dbraw/zinc/76/81/27/562768127.db2.gz DBIJBZAABXIRPN-UFZSTKPESA-N 1 0 542.702 1.963 3 0 KDAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095600572 562779006 /nfs/dbraw/zinc/77/90/06/562779006.db2.gz LMWGPKORGYIWNW-AOJNWGRGSA-N 1 0 556.712 1.718 3 0 KDAFRO C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095604015 562780824 /nfs/dbraw/zinc/78/08/24/562780824.db2.gz LMWGPKORGYIWNW-DRLORSAXSA-N 1 0 556.712 1.718 3 0 KDAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095604889 562781300 /nfs/dbraw/zinc/78/13/00/562781300.db2.gz LMWGPKORGYIWNW-XLGIIRLISA-N 1 0 556.712 1.718 3 0 KDAFRO C[NH+]1CCC(N2CCN([C@@H]3CN(Cc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)S(=O)(=O)C3)CC2)CC1 ZINC000095605421 562781542 /nfs/dbraw/zinc/78/15/42/562781542.db2.gz RRHUHRXDRBVRPM-HSZRJFAPSA-N 1 0 541.644 1.571 3 0 KDAFRO C[NH+]1CCC(N2CCN([C@H]3CN(Cc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)S(=O)(=O)C3)CC2)CC1 ZINC000095605422 562781513 /nfs/dbraw/zinc/78/15/13/562781513.db2.gz RRHUHRXDRBVRPM-QHCPKHFHSA-N 1 0 541.644 1.571 3 0 KDAFRO C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)OCc2cnnn2CCCC1=O ZINC000095694058 562788490 /nfs/dbraw/zinc/78/84/90/562788490.db2.gz MSGDIDWYZNYHQU-VVZHRXSXSA-N 1 0 541.697 1.327 3 0 KDAFRO NC(=O)c1ncn([C@@H]2O[C@H](C[NH2+]Cc3c(OCc4ccccc4F)ccc4ccccc43)[C@@H](O)[C@H]2O)n1 ZINC000104185599 562825116 /nfs/dbraw/zinc/82/51/16/562825116.db2.gz GQRWBXPVMLVBRR-ICLZECGLSA-N 1 0 507.522 1.657 3 0 KDAFRO CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCC[NH+](C)C)C(=O)N1CCCN1CCCC1=O ZINC000169303213 562853173 /nfs/dbraw/zinc/85/31/73/562853173.db2.gz ZXXWLXIBEKJWIG-QFIPXVFZSA-N 1 0 503.688 1.982 3 0 KDAFRO CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N1CCCN1CCCC1=O ZINC000169303214 562853150 /nfs/dbraw/zinc/85/31/50/562853150.db2.gz ZXXWLXIBEKJWIG-JOCHJYFZSA-N 1 0 503.688 1.982 3 0 KDAFRO