smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(CN2CCC[NH2+]CCOCC[NH2+]CCC2)ccc1CN1CCC[NH2+]CCOCC[NH2+]CCC1 ZINC000003812669 561682754 /nfs/dbraw/zinc/68/27/54/561682754.db2.gz GGQPTGIFNNUMJH-UHFFFAOYSA-N 4 0 504.764 1.270 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)c1nc2ccccc2s1 ZINC000003831670 561683400 /nfs/dbraw/zinc/68/34/00/561683400.db2.gz XZUXATAIZFXMEK-GIVPXCGWSA-N 2 0 535.674 1.788 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1 ZINC000003831679 561683439 /nfs/dbraw/zinc/68/34/39/561683439.db2.gz XZWDCQQEBVTPIG-YHGPEZAFSA-N 2 0 562.700 1.389 1 0 KDAFRP [NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(C(=O)COc4ccc5[nH]cc(CC[NH3+])c5c4)CC3)cc12 ZINC000003919051 561685595 /nfs/dbraw/zinc/68/55/95/561685595.db2.gz BNMIOTKQNUSAEJ-UHFFFAOYSA-N 2 0 518.618 1.780 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)C=Cc1ccc2c(c1)[C@@H](C(=O)NCCCCNC(N)=[NH2+])[C@H](c1ccc(O)cc1)O2 ZINC000004097514 561693777 /nfs/dbraw/zinc/69/37/77/561693777.db2.gz KVYNYRIOAYQBFK-ODMAYWLASA-N 2 0 550.664 1.382 1 0 biogenic,in-vitro KDAFRP COc1cc(C=CC(=O)NCCCCNC(N)=[NH2+])cc2c1O[C@@H](c1ccc(O)cc1)[C@@H]2C(=O)NCCCCNC(N)=[NH2+] ZINC000004097515 291712934 /nfs/dbraw/zinc/71/29/34/291712934.db2.gz LRLXAXGCQUOKIO-ATYLQFJESA-N 2 0 580.690 1.390 1 0 biogenic,in-vitro KDAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CC[NH+](CCCNS(C)(=O)=O)CC2)CC1 ZINC000013439977 561712457 /nfs/dbraw/zinc/71/24/57/561712457.db2.gz XGQQSLHOLGZTIH-UHFFFAOYSA-N 2 0 516.108 1.776 1 0 KDAFRP [NH3+]CCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CC[NH3+])c4c3)cc12 ZINC000013604980 561721731 /nfs/dbraw/zinc/72/17/31/561721731.db2.gz WKSNOTTUESOCSY-UHFFFAOYSA-N 2 0 506.607 1.732 1 0 KDAFRP [NH3+]CCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCc1ccccc1 ZINC000013761919 561728165 /nfs/dbraw/zinc/72/81/65/561728165.db2.gz CRBYPMCRZPRVSJ-DQEYMECFSA-N 2 0 519.731 1.906 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)c1nc2ccccc2s1 ZINC000014294886 561739484 /nfs/dbraw/zinc/73/94/84/561739484.db2.gz XZUXATAIZFXMEK-NRSPTQNISA-N 2 0 535.674 1.788 1 0 KDAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2n1C ZINC000014954631 561747167 /nfs/dbraw/zinc/74/71/67/561747167.db2.gz QMYCSIPHSWKVGL-ZDXQCDESSA-N 2 0 546.676 1.326 1 0 KDAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2o1 ZINC000014954644 561747101 /nfs/dbraw/zinc/74/71/01/561747101.db2.gz DSRYOPYBUYZKDD-VSKRKVRLSA-N 2 0 533.633 1.580 1 0 KDAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000014954648 561747142 /nfs/dbraw/zinc/74/71/42/561747142.db2.gz DSBAJYNIVIRLCB-ZRBLBEILSA-N 2 0 560.659 1.088 1 0 KDAFRP CCOC(=O)c1csc(C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)[NH2+]C)n1 ZINC000014954674 561747169 /nfs/dbraw/zinc/74/71/69/561747169.db2.gz LPKAGHKXANUXHY-ZVDOUQERSA-N 2 0 571.704 1.072 1 0 KDAFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(C(=O)OC)cc2s1 ZINC000014954738 561747241 /nfs/dbraw/zinc/74/72/41/561747241.db2.gz MFMDLRMWDRKSBV-ZRBLBEILSA-N 2 0 607.737 1.835 1 0 KDAFRP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000014975443 561752147 /nfs/dbraw/zinc/75/21/47/561752147.db2.gz YICNJKARNVERTG-LNMMVMNESA-N 2 0 642.801 1.434 1 0 KDAFRP c1cc2nc(c1)C[NH2+]CCN(Cc1ccc(CN3CC[NH2+]Cc4cccc(n4)C[NH2+]CC3)cc1)CC[NH2+]C2 ZINC000022444968 561759056 /nfs/dbraw/zinc/75/90/56/561759056.db2.gz ZDOWXEHAIGESHP-UHFFFAOYSA-N 4 0 514.722 1.867 1 0 KDAFRP c1cc(CN2CC[NH2+]Cc3cccc(n3)C[NH2+]CC2)cc(CN2CC[NH2+]Cc3cccc(n3)C[NH2+]CC2)c1 ZINC000022444973 561759079 /nfs/dbraw/zinc/75/90/79/561759079.db2.gz QHFMWGLVSAHOFT-UHFFFAOYSA-N 4 0 514.722 1.867 1 0 KDAFRP [NH3+]CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)C[NH3+])cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025996400 561765037 /nfs/dbraw/zinc/76/50/37/561765037.db2.gz IHTUAVBDKGLJEZ-XUZZJYLKSA-N 3 0 544.549 1.832 1 0 KDAFRP [NH3+]CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)C[NH3+])cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025996407 561765012 /nfs/dbraw/zinc/76/50/12/561765012.db2.gz IHTUAVBDKGLJEZ-URXFXBBRSA-N 3 0 544.549 1.832 1 0 KDAFRP [NH3+]CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)C[NH3+])cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025996414 561765023 /nfs/dbraw/zinc/76/50/23/561765023.db2.gz IHTUAVBDKGLJEZ-ZJSXRUAMSA-N 3 0 544.549 1.832 1 0 KDAFRP [NH3+]CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)C[NH3+])cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025996420 561765101 /nfs/dbraw/zinc/76/51/01/561765101.db2.gz IHTUAVBDKGLJEZ-QPPBQGQZSA-N 3 0 544.549 1.832 1 0 KDAFRP O=c1cc2c3c(cccc3C(=O)N(CC[NH2+]CCCC[NH2+]CCN3C(=O)c4cccc5[nH]c(=O)cc(c54)C3=O)C2=O)[nH]1 ZINC000026376009 561781829 /nfs/dbraw/zinc/78/18/29/561781829.db2.gz UMIDPGCNLTWAAC-UHFFFAOYSA-N 2 0 568.590 1.634 1 0 KDAFRP NC(=[NH2+])Nc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(NC(N)=[NH2+])cc3)cc2)cc1 ZINC000026396099 561787028 /nfs/dbraw/zinc/78/70/28/561787028.db2.gz WIQTYQCYQVCCGF-UHFFFAOYSA-N 2 0 632.682 1.383 1 0 KDAFRP [NH3+]Cc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1 ZINC000026397546 561787371 /nfs/dbraw/zinc/78/73/71/561787371.db2.gz ICJRTFAHVMZUFX-UHFFFAOYSA-N 2 0 544.656 1.249 1 0 KDAFRP NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(N)=[NH2+])cc4)CC3)CC2)cc1 ZINC000026403642 561789119 /nfs/dbraw/zinc/78/91/19/561789119.db2.gz GVMXAPWPASJXDG-UHFFFAOYSA-N 2 0 676.827 1.656 1 0 KDAFRP NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(N)=[NH2+])cc4)CC3)CC2)cc1 ZINC000026403646 561789015 /nfs/dbraw/zinc/78/90/15/561789015.db2.gz MKTTVYKHHNUHLQ-UHFFFAOYSA-N 2 0 662.800 1.266 1 0 KDAFRP Cn1cc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000026404008 561789172 /nfs/dbraw/zinc/78/91/72/561789172.db2.gz NMMXOSZAPLRCJB-UHFFFAOYSA-N 2 0 688.754 1.301 1 0 KDAFRP CCCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O ZINC000026466882 561789846 /nfs/dbraw/zinc/78/98/46/561789846.db2.gz OJUIXDNZVXSATE-HVRNLMOBSA-N 2 0 742.926 1.075 1 0 KDAFRP NC(=[NH2+])Nc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(NC(N)=[NH2+])cc3)cc2)cc1 ZINC000026467609 561789973 /nfs/dbraw/zinc/78/99/73/561789973.db2.gz JCOQOSJGDFKFLW-UHFFFAOYSA-N 2 0 628.738 1.723 1 0 KDAFRP [NH3+]Cc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1 ZINC000026470250 561790470 /nfs/dbraw/zinc/79/04/70/561790470.db2.gz IEDBGWNXIHURPN-UHFFFAOYSA-N 2 0 576.654 1.689 1 0 KDAFRP CC1(C)O[C@H]2[C@H](O1)[C@H](O)C[NH+](Cc1ccc(OCCCOc3ccc(C[NH+]4C[C@@H](O)[C@H]5OC(C)(C)O[C@@H]5[C@H](O)C4)cc3)cc1)C[C@H]2O ZINC000026474469 561790815 /nfs/dbraw/zinc/79/08/15/561790815.db2.gz KFAWQTBZEBEAQQ-ZPDNQCNHSA-N 2 0 658.789 1.650 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCc1[nH]c(=O)c(CCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)nc1C ZINC000026575836 561799511 /nfs/dbraw/zinc/79/95/11/561799511.db2.gz JYVYVIUTGUMWIF-FTJBHMTQSA-N 2 0 578.714 1.181 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NCCc1nc(C)c(CCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000026575837 561799574 /nfs/dbraw/zinc/79/95/74/561799574.db2.gz JYVYVIUTGUMWIF-UIOOFZCWSA-N 2 0 578.714 1.181 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCc1nc(C)c(CCNC(=O)[C@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000026575838 561799561 /nfs/dbraw/zinc/79/95/61/561799561.db2.gz JYVYVIUTGUMWIF-CLJLJLNGSA-N 2 0 578.714 1.181 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCc1nc(C)c(CCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000026575839 561799597 /nfs/dbraw/zinc/79/95/97/561799597.db2.gz JYVYVIUTGUMWIF-IZZNHLLZSA-N 2 0 578.714 1.181 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)nc1C ZINC000026576067 561799866 /nfs/dbraw/zinc/79/98/66/561799866.db2.gz BRPKWONOOSMJCB-IZLXSDGUSA-N 2 0 606.768 1.961 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NCCCc1nc(C)c(CCCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000026576068 561799813 /nfs/dbraw/zinc/79/98/13/561799813.db2.gz BRPKWONOOSMJCB-NSOVKSMOSA-N 2 0 606.768 1.961 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCCc1nc(C)c(CCCNC(=O)[C@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000026576069 561799806 /nfs/dbraw/zinc/79/98/06/561799806.db2.gz BRPKWONOOSMJCB-VSGBNLITSA-N 2 0 606.768 1.961 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCCCc1nc(C)c(CCCNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000026576070 561799826 /nfs/dbraw/zinc/79/98/26/561799826.db2.gz BRPKWONOOSMJCB-WUFINQPMSA-N 2 0 606.768 1.961 1 0 KDAFRP Cc1nc(CCCCNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026577204 561801107 /nfs/dbraw/zinc/80/11/07/561801107.db2.gz HUGCMTHGLXHJCT-UIOOFZCWSA-N 2 0 578.714 1.507 1 0 KDAFRP Cc1nc(CCCCNC(=O)[C@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026577205 561801046 /nfs/dbraw/zinc/80/10/46/561801046.db2.gz HUGCMTHGLXHJCT-IZZNHLLZSA-N 2 0 578.714 1.507 1 0 KDAFRP Cc1nc(CCCCNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000026577206 561801088 /nfs/dbraw/zinc/80/10/88/561801088.db2.gz HUGCMTHGLXHJCT-FTJBHMTQSA-N 2 0 578.714 1.507 1 0 KDAFRP Cc1nc(CCCCNC(=O)[C@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000026577207 561801266 /nfs/dbraw/zinc/80/12/66/561801266.db2.gz HUGCMTHGLXHJCT-CLJLJLNGSA-N 2 0 578.714 1.507 1 0 KDAFRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O ZINC000026728708 561816402 /nfs/dbraw/zinc/81/64/02/561816402.db2.gz VJOSKSBNTNQAKK-NRFANRHFSA-N 2 0 502.619 1.571 1 0 KDAFRP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[NH2+]CCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O ZINC000026728713 561816413 /nfs/dbraw/zinc/81/64/13/561816413.db2.gz VJOSKSBNTNQAKK-OAQYLSRUSA-N 2 0 502.619 1.571 1 0 KDAFRP C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000026815593 561820147 /nfs/dbraw/zinc/82/01/47/561820147.db2.gz PZLYABUWWUZARL-LBUIIOCESA-N 2 0 707.876 1.768 1 0 KDAFRP O=C(COc1ccc(OCC(=O)N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cc1)N1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000026972766 561830551 /nfs/dbraw/zinc/83/05/51/561830551.db2.gz UKMUSTCOKAGPFR-UHFFFAOYSA-N 2 0 692.864 1.828 1 0 KDAFRP NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)CCC(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1 ZINC000026974621 561830819 /nfs/dbraw/zinc/83/08/19/561830819.db2.gz NZIXPJNCBJKSQJ-UHFFFAOYSA-N 2 0 626.674 1.796 1 0 KDAFRP NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)CC(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1 ZINC000026976677 561830910 /nfs/dbraw/zinc/83/09/10/561830910.db2.gz XREVYUWVWGLALD-UHFFFAOYSA-N 2 0 612.647 1.406 1 0 KDAFRP NC(=O)CNC(=O)[C@@H](CCCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1)NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc1ccccc1 ZINC000027192719 561843726 /nfs/dbraw/zinc/84/37/26/561843726.db2.gz CLIJWFFOFFUZCQ-IDZRBWSNSA-N 2 0 726.876 1.207 1 0 KDAFRP CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)[NH3+])[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000027196658 561844452 /nfs/dbraw/zinc/84/44/52/561844452.db2.gz JJAYONCXRDEGFA-PSWJWLENSA-N 2 0 739.922 1.566 1 0 KDAFRP CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)[NH3+])[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000027197906 561844642 /nfs/dbraw/zinc/84/46/42/561844642.db2.gz QYLXULCMJGFMGL-UYEZAFAQSA-N 2 0 725.895 1.224 1 0 KDAFRP Brc1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)ccc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000027203755 561845612 /nfs/dbraw/zinc/84/56/12/561845612.db2.gz CGBPRRHXVCXIKY-UHFFFAOYSA-N 4 0 581.692 1.178 1 0 KDAFRP Clc1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)c(Cl)cc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000027203761 561845610 /nfs/dbraw/zinc/84/56/10/561845610.db2.gz NYQPBUORMFOXKK-UHFFFAOYSA-N 4 0 571.686 1.723 1 0 KDAFRP c1cc2ccc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc2cc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000027207731 561846358 /nfs/dbraw/zinc/84/63/58/561846358.db2.gz FOCLAJDKGMQTCG-UHFFFAOYSA-N 4 0 552.856 1.569 1 0 KDAFRP c1cc2cc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)ccc2cc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000027207735 561846292 /nfs/dbraw/zinc/84/62/92/561846292.db2.gz JEVFAVNWHADTDV-UHFFFAOYSA-N 4 0 552.856 1.569 1 0 KDAFRP Brc1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)c1 ZINC000027209243 561846667 /nfs/dbraw/zinc/84/66/67/561846667.db2.gz CPVWZXHXOWSMCJ-UHFFFAOYSA-N 4 0 581.692 1.178 1 0 KDAFRP Brc1c(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cccc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000027209247 561846644 /nfs/dbraw/zinc/84/66/44/561846644.db2.gz JEHQYMLZRFQEAN-UHFFFAOYSA-N 4 0 581.692 1.178 1 0 KDAFRP c1ccc2c(C[N@@H+]3CCCNCC[NH2+]CCCNCC3)ccc(C[NH+]3CCCNCC[NH2+]CCCNCC3)c2c1 ZINC000027301325 561849173 /nfs/dbraw/zinc/84/91/73/561849173.db2.gz MSNPWEIMBZUZLW-UHFFFAOYSA-N 4 0 552.856 1.569 1 0 KDAFRP CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CCC[NH3+])C(N)=O ZINC000027527093 561866526 /nfs/dbraw/zinc/86/65/26/561866526.db2.gz RIBDIRJJMSMJSI-TWDXFAIISA-N 2 0 672.762 1.567 1 0 KDAFRP CCOC(=O)C1=C(COCC[NH2+]CC(=O)NCC[NH3+])NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000027647466 561876154 /nfs/dbraw/zinc/87/61/54/561876154.db2.gz AIIYBTVDJKSCHH-WZFMIUBLSA-N 2 0 509.003 1.812 1 0 KDAFRP CCOC(=O)C1=C(COCC[NH2+]CC(=O)NCC[NH3+])NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000027647472 561876145 /nfs/dbraw/zinc/87/61/45/561876145.db2.gz AIIYBTVDJKSCHH-PZJQAWQVSA-N 2 0 509.003 1.812 1 0 KDAFRP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H]([NH3+])C[C@@H](C)CC(=O)[C@@H]([NH3+])CC(C)C)C(C)C ZINC000027704815 561878636 /nfs/dbraw/zinc/87/86/36/561878636.db2.gz VUCBTQLMZQVPLU-FRKBTGCXSA-N 2 0 534.698 1.075 1 0 KDAFRP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H]([NH3+])C[C@H](C)CC(=O)[C@@H]([NH3+])CC(C)C)C(C)C ZINC000027704819 561878615 /nfs/dbraw/zinc/87/86/15/561878615.db2.gz VUCBTQLMZQVPLU-BYZHJWIBSA-N 2 0 534.698 1.075 1 0 KDAFRP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H]([NH3+])C[C@@H](C)CC(=O)[C@@H]([NH3+])CC(C)C)C(C)C ZINC000027708250 561879142 /nfs/dbraw/zinc/87/91/42/561879142.db2.gz VUCBTQLMZQVPLU-DKYIUWICSA-N 2 0 534.698 1.075 1 0 KDAFRP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H]([NH3+])C[C@H](C)CC(=O)[C@@H]([NH3+])CC(C)C)C(C)C ZINC000027708254 561879164 /nfs/dbraw/zinc/87/91/64/561879164.db2.gz VUCBTQLMZQVPLU-LHTDVJSRSA-N 2 0 534.698 1.075 1 0 KDAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC[C@@H](O)C[NH2+]C(C)C)cc3)CC2)cc1 ZINC000027761437 561884061 /nfs/dbraw/zinc/88/40/61/561884061.db2.gz LPJYZKCZVLUCST-HNRBIFIRSA-N 2 0 614.788 1.357 1 0 KDAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC[C@@H](O)C[NH2+]C(C)C)cc3)CC2)cc1 ZINC000027761445 561884116 /nfs/dbraw/zinc/88/41/16/561884116.db2.gz LPJYZKCZVLUCST-NSOVKSMOSA-N 2 0 614.788 1.357 1 0 KDAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC[C@H](O)C[NH2+]C(C)C)cc3)CC2)cc1 ZINC000027761453 561884127 /nfs/dbraw/zinc/88/41/27/561884127.db2.gz LPJYZKCZVLUCST-VSGBNLITSA-N 2 0 614.788 1.357 1 0 KDAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)C[NH2+]CCCC[NH2+]CC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027852260 561886235 /nfs/dbraw/zinc/88/62/35/561886235.db2.gz FPFNFGRRHPTRLC-HNRBIFIRSA-N 4 0 616.804 1.699 1 0 KDAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)C[NH2+]CCCC[NH2+]CC(=O)Nc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027852267 561886175 /nfs/dbraw/zinc/88/61/75/561886175.db2.gz FPFNFGRRHPTRLC-NSOVKSMOSA-N 4 0 616.804 1.699 1 0 KDAFRP CC(C)[NH2+]C[C@@H](O)COc1ccc(NC(=O)C[NH2+]CCCC[NH2+]CC(=O)Nc2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000027852274 561886206 /nfs/dbraw/zinc/88/62/06/561886206.db2.gz FPFNFGRRHPTRLC-VSGBNLITSA-N 4 0 616.804 1.699 1 0 KDAFRP NC(=[NH2+])CCNC(=O)c1cc(NC(=O)c2cnc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CC4CC4)c3)cn2)cn1CC1CC1 ZINC000027896462 561890308 /nfs/dbraw/zinc/89/03/08/561890308.db2.gz YISNYVWZGZKWKR-UHFFFAOYSA-N 2 0 630.714 1.516 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(C(N)=[NH2+])c2)NC1=O ZINC000028132531 561905971 /nfs/dbraw/zinc/90/59/71/561905971.db2.gz SUHBTOMKHJCWKW-AYQJTBPPSA-N 2 0 738.850 1.740 1 0 KDAFRP O=C(NCc1ccccc1)C(=O)[C@H](CC1CC[NH2+]CC1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000028236316 561909823 /nfs/dbraw/zinc/90/98/23/561909823.db2.gz WJAVJDNRILGCRZ-IURCNINISA-N 2 0 551.732 1.906 1 0 KDAFRP NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCC(C[NH2+]CCCC[NH2+]CC2CC[NH2+]CC2)CC1 ZINC000028256526 561911524 /nfs/dbraw/zinc/91/15/24/561911524.db2.gz XGXUQCIUYQNBJR-GDLZYMKVSA-N 3 0 564.775 1.940 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2ccc(C(N)=[NH2+])cc2)NC1=O ZINC000028345030 561914733 /nfs/dbraw/zinc/91/47/33/561914733.db2.gz PJCPSTPSHWWXOM-AYQJTBPPSA-N 2 0 738.850 1.740 1 0 KDAFRP [NH3+][C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000028523496 561930229 /nfs/dbraw/zinc/93/02/29/561930229.db2.gz PQPLSDAOPRFOHW-MGXDLYCJSA-N 2 0 706.844 1.663 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000028604394 561940637 /nfs/dbraw/zinc/94/06/37/561940637.db2.gz UYQNQYGLYZWSED-GEEKYZPCSA-N 4 0 602.531 1.609 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(C(=O)CC(=O)Nc4ccccc4Cl)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000028604505 561940639 /nfs/dbraw/zinc/94/06/39/561940639.db2.gz MEWDMYTXKDQNFP-FGYAAKKASA-N 4 0 594.124 1.210 1 0 KDAFRP C[C@@H](CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])c1ccccc1 ZINC000028701702 561946949 /nfs/dbraw/zinc/94/69/49/561946949.db2.gz BLRZRLBVVHBPFS-XTPLGNKUSA-N 3 0 670.863 1.639 1 0 KDAFRP C[C@H](CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])c1ccccc1 ZINC000028701704 561946889 /nfs/dbraw/zinc/94/68/89/561946889.db2.gz BLRZRLBVVHBPFS-MOBIUZRASA-N 3 0 670.863 1.639 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000028701706 561946925 /nfs/dbraw/zinc/94/69/25/561946925.db2.gz IIUQVWAODMBQQA-AWCRTANDSA-N 3 0 642.809 1.036 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCc1ccccc1 ZINC000028701708 561946935 /nfs/dbraw/zinc/94/69/35/561946935.db2.gz GWMHXUGOHMXJMJ-DTXPUJKBSA-N 3 0 656.836 1.078 1 0 KDAFRP CN(Cc1ccccc1)C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+] ZINC000028701710 561946955 /nfs/dbraw/zinc/94/69/55/561946955.db2.gz PQGKRKZTVSUSCI-DTXPUJKBSA-N 3 0 656.836 1.378 1 0 KDAFRP CCN(Cc1ccccc1)C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+] ZINC000028701712 561946878 /nfs/dbraw/zinc/94/68/78/561946878.db2.gz GPQCQPHBABGIEY-CHQNGUEUSA-N 3 0 670.863 1.768 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCCc1ccccc1 ZINC000028701718 561946961 /nfs/dbraw/zinc/94/69/61/561946961.db2.gz VZEPLWSDOOAWDE-CHQNGUEUSA-N 3 0 670.863 1.469 1 0 KDAFRP [NH3+]CCN(CC[NH3+])c1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)nc(N(CC[NH3+])CC[NH3+])n1 ZINC000028703865 561947896 /nfs/dbraw/zinc/94/78/96/561947896.db2.gz QIPLGXPKKZKWFZ-UHFFFAOYSA-N 4 0 559.679 1.174 1 0 KDAFRP [NH3+]C[C@H]1C[C@@H]([NH3+])CN1c1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)nc(N2C[C@@H]([NH3+])C[C@H]2C[NH3+])n1 ZINC000028703873 561947890 /nfs/dbraw/zinc/94/78/90/561947890.db2.gz UQPGFQXPJJNKTP-PVTAMDAMSA-N 4 0 583.701 1.456 1 0 KDAFRP [NH3+][C@@H]1C[C@H](O)CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H](O)C[C@H]([NH3+])C3)n2)C1 ZINC000028703876 561947920 /nfs/dbraw/zinc/94/79/20/561947920.db2.gz XDKLJWAMXHTOBD-ZIIYYELXSA-N 2 0 585.669 1.523 1 0 KDAFRP [NH3+]CCN(CC[NH3+])c1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)n1 ZINC000028703888 561947832 /nfs/dbraw/zinc/94/78/32/561947832.db2.gz HBUKJTYQIGKOCO-BGYRXZFFSA-N 4 0 571.690 1.315 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N(CC[NH3+])CC[NH3+])nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703893 561947916 /nfs/dbraw/zinc/94/79/16/561947916.db2.gz CMEDFHDZGHLZTQ-PLQXJYEYSA-N 4 0 661.837 1.613 1 0 KDAFRP [NH3+]C[C@H]1C[C@@H](C[NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000028703897 561947905 /nfs/dbraw/zinc/94/79/05/561947905.db2.gz HRINHTNNVDNTTP-RVNSJZFSSA-N 4 0 611.755 1.951 1 0 KDAFRP [NH3+]C[C@H]1C[C@@H](C[NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000028703899 561947918 /nfs/dbraw/zinc/94/79/18/561947918.db2.gz DFZBHYLMJLPXHM-ALFLXDJESA-N 4 0 596.140 1.451 1 0 KDAFRP [NH3+]C[C@@H]1C[C@H]([NH3+])CN1c1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)n1 ZINC000028703905 561947908 /nfs/dbraw/zinc/94/79/08/561947908.db2.gz NXBBRHNHOKWHKU-SRYPRDQNSA-N 4 0 583.701 1.456 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@@H]([NH3+])C[C@H]4C[NH3+])nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703910 561947923 /nfs/dbraw/zinc/94/79/23/561947923.db2.gz VACJQJSRZUFQTK-SFIUMABJSA-N 4 0 673.848 1.754 1 0 KDAFRP [NH3+][C@H]1C[C@@H](CO)N(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000028703913 561948003 /nfs/dbraw/zinc/94/80/03/561948003.db2.gz UTNTZBHFXYLGHX-SRYPRDQNSA-N 3 0 584.685 1.489 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@@H]([NH3+])C[C@H]4CO)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703921 561948031 /nfs/dbraw/zinc/94/80/31/561948031.db2.gz MEINOSPWLMEMGC-SFIUMABJSA-N 3 0 674.832 1.788 1 0 KDAFRP [NH3+]C[C@H]1[C@@H](O)CCN1c1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)n1 ZINC000028703925 561947966 /nfs/dbraw/zinc/94/79/66/561947966.db2.gz BWIQYQPMDZBGFR-JHFSOIRNSA-N 3 0 584.685 1.489 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4CC[C@H](O)[C@@H]4C[NH3+])nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703930 561947972 /nfs/dbraw/zinc/94/79/72/561947972.db2.gz OIOHNPXEGOUNMY-YZUKIZEGSA-N 3 0 674.832 1.788 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H](O)C[C@H]([NH3+])C3)n2)C1 ZINC000028703932 561948026 /nfs/dbraw/zinc/94/80/26/561948026.db2.gz UBMFXDQSVPBKHB-FAKFISEUSA-N 3 0 584.685 1.489 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)nc(N4C[C@H](O)C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703936 561948045 /nfs/dbraw/zinc/94/80/45/561948045.db2.gz VFPQGSNVLGTSKJ-ZJMAKVHZSA-N 3 0 674.832 1.788 1 0 KDAFRP [NH3+]C[C@@H]1CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)CC[C@@H]1O ZINC000028703951 561947999 /nfs/dbraw/zinc/94/79/99/561947999.db2.gz RCRRUSMTJHWWKE-YRKFHGTDSA-N 3 0 598.712 1.737 1 0 KDAFRP [NH3+]C[C@@H]1CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)CC[C@@H]1O ZINC000028703954 561947997 /nfs/dbraw/zinc/94/79/97/561947997.db2.gz YZLFBFHJHZTUGY-GZHDQSLTSA-N 3 0 583.097 1.237 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@@H](O)[C@@H](O)C3)n2)C1 ZINC000028703958 561948015 /nfs/dbraw/zinc/94/80/15/561948015.db2.gz HQEQATRIAAGBQU-LYWNTADJSA-N 2 0 571.642 1.133 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@@H](O)[C@@H](O)C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703962 561947990 /nfs/dbraw/zinc/94/79/90/561947990.db2.gz IIPJQRSNLDGJIW-FKYXBBJVSA-N 2 0 661.789 1.431 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@@H](N)[C@@H]([NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703967 561948009 /nfs/dbraw/zinc/94/80/09/561948009.db2.gz NRTNVGMISPVZEM-XOMBCNSKSA-N 3 0 659.821 1.364 1 0 KDAFRP [NH3+]C1CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000028703970 561947979 /nfs/dbraw/zinc/94/79/79/561947979.db2.gz ICMYKGCAONWMJR-IYBDPMFKSA-N 3 0 525.017 1.239 1 0 KDAFRP NC(=O)C1CCN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)CC1 ZINC000028703975 561948024 /nfs/dbraw/zinc/94/80/24/561948024.db2.gz KWCQZDGQXCEFQV-KDURUIRLSA-N 2 0 581.081 1.793 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1 ZINC000028770444 561961126 /nfs/dbraw/zinc/96/11/26/561961126.db2.gz WQDOEYAJPUSQCH-RXYILKCJSA-N 2 0 548.717 1.862 1 0 KDAFRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1 ZINC000028770823 561961280 /nfs/dbraw/zinc/96/12/80/561961280.db2.gz LQSGNEYBCVENMM-IALVYGIMSA-N 2 0 520.678 1.121 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O ZINC000028824973 561970183 /nfs/dbraw/zinc/97/01/83/561970183.db2.gz PPUUQJJFIOOYMK-DEOSSOPVSA-N 2 0 573.702 1.167 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028824974 561970256 /nfs/dbraw/zinc/97/02/56/561970256.db2.gz HIBSFZGVQCRXBV-QHCPKHFHSA-N 2 0 603.555 1.993 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O ZINC000028824975 561970229 /nfs/dbraw/zinc/97/02/29/561970229.db2.gz HXUKKLXIXURMSO-QHCPKHFHSA-N 2 0 603.555 1.993 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000028824978 561970225 /nfs/dbraw/zinc/97/02/25/561970225.db2.gz BTNIEEZBAKYWSE-QHCPKHFHSA-N 2 0 516.650 1.970 1 0 KDAFRP [NH3+]Cc1cc2oc1CNC(=O)c1ccc(o1)CNC(=O)c1cc(C[NH3+])c(o1)CNC(=O)c1ccc(o1)CNC2=O ZINC000028824982 561970262 /nfs/dbraw/zinc/97/02/62/561970262.db2.gz VOTOOMARZACHSJ-UHFFFAOYSA-N 2 0 550.528 1.009 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2cc(Nc3ccc(NC(=O)c4cnc5ccccc5c4O)cc3)cc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000029048607 561993600 /nfs/dbraw/zinc/99/36/00/561993600.db2.gz QKZRBSZUWAVUIC-FXELSEDVSA-N 4 0 582.713 1.648 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc3nc(Nc4ccc(NC(=O)c5ccc6cccnc6c5O)cc4)[nH]c3c(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000029048688 561993683 /nfs/dbraw/zinc/99/36/83/561993683.db2.gz LHHHMPQKKSEXHH-FGYAAKKASA-N 4 0 623.726 1.332 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc3nc(Nc4ccc(NC(=O)c5ccc6ccccc6c5O)cc4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)c3[nH]2)C1 ZINC000029048801 561993747 /nfs/dbraw/zinc/99/37/47/561993747.db2.gz RJIVJPWGCBUVCK-FXELSEDVSA-N 4 0 622.738 1.937 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000029049089 561993808 /nfs/dbraw/zinc/99/38/08/561993808.db2.gz DXUSUHAZFBOTLW-FXELSEDVSA-N 4 0 583.701 1.456 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4cnc5ccccc5c4O)c(Cl)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000029050256 561994233 /nfs/dbraw/zinc/99/42/33/561994233.db2.gz RLTSFHQEHHUYEL-USTZCAOPSA-N 4 0 619.134 1.092 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000029050409 561994182 /nfs/dbraw/zinc/99/41/82/561994182.db2.gz VEIFFLAZSICNBW-WAPCQROESA-N 4 0 567.702 1.750 1 0 KDAFRP Cc1ncn(CC(=O)NC(C)(C)C[NH3+])c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125541 561997709 /nfs/dbraw/zinc/99/77/09/561997709.db2.gz GVMSYYQSSUXFQT-UHFFFAOYSA-N 2 0 500.625 1.505 1 0 KDAFRP Cc1ncn(CC(=O)N[C@@H]2CCC[NH2+]C2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125542 561997663 /nfs/dbraw/zinc/99/76/63/561997663.db2.gz VWTMLJCRZUXEAS-OAQYLSRUSA-N 2 0 512.636 1.520 1 0 KDAFRP Cc1ncn(CC(=O)N[C@H]2CCC[NH2+]C2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125543 561997730 /nfs/dbraw/zinc/99/77/30/561997730.db2.gz VWTMLJCRZUXEAS-NRFANRHFSA-N 2 0 512.636 1.520 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](C[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000029135723 562004488 /nfs/dbraw/zinc/00/44/88/562004488.db2.gz NHCYVPYZNFHZFB-GVBYMILNSA-N 2 0 720.875 1.880 1 0 KDAFRP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH+](C)C ZINC000029224781 562007856 /nfs/dbraw/zinc/00/78/56/562007856.db2.gz KLSLYPVGVFKGCZ-SDHOMARFSA-N 2 0 571.804 1.854 1 0 KDAFRP C[NH2+]CCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000029224787 562007997 /nfs/dbraw/zinc/00/79/97/562007997.db2.gz NAYVNELHUJWXAM-HJOGWXRNSA-N 2 0 557.777 1.512 1 0 KDAFRP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+] ZINC000029225214 562007994 /nfs/dbraw/zinc/00/79/94/562007994.db2.gz JVSLXVCGRHJDFU-VABKMULXSA-N 2 0 543.750 1.251 1 0 KDAFRP NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+] ZINC000029225433 562008166 /nfs/dbraw/zinc/00/81/66/562008166.db2.gz NGKZVVAMPFGASG-SDHOMARFSA-N 2 0 568.804 1.487 1 0 KDAFRP NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+])C1CCCCC1 ZINC000029226138 562008273 /nfs/dbraw/zinc/00/82/73/562008273.db2.gz SBTXKOPHMOAPBD-LSQMVHIFSA-N 2 0 554.777 1.097 1 0 KDAFRP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCC[NH3+] ZINC000029227577 562008653 /nfs/dbraw/zinc/00/86/53/562008653.db2.gz GBOPCSCIVYAXKR-HJOGWXRNSA-N 2 0 557.777 1.641 1 0 KDAFRP [NH3+]CC(=O)NCC(=O)N1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252040 562011357 /nfs/dbraw/zinc/01/13/57/562011357.db2.gz QSSOIVBGIOETKQ-FUCLXHLGSA-N 2 0 721.811 1.016 1 0 KDAFRP [NH3+]CC(=O)N1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252047 562011391 /nfs/dbraw/zinc/01/13/91/562011391.db2.gz MJPXBHRPFBXBTH-HJMLEIGSSA-N 2 0 664.759 1.899 1 0 KDAFRP CC(C)[NH2+]C[C@H](O)COc1ccccc1OCC(O)COc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000029340859 562015227 /nfs/dbraw/zinc/01/52/27/562015227.db2.gz QTSLJNSPVOPDIQ-VXKWHMMOSA-N 2 0 506.640 1.981 1 0 KDAFRP 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)OCCC(C)C ZINC000029478255 562026761 /nfs/dbraw/zinc/02/67/61/562026761.db2.gz JLSJMHXPTVCMNS-SJSXQSQASA-N 2 0 589.778 1.987 1 0 KDAFRP CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=S ZINC000029551076 562030942 /nfs/dbraw/zinc/03/09/42/562030942.db2.gz ZBUYOGIRGFMTSH-FQEVSTJZSA-N 2 0 572.736 1.810 1 0 KDAFRP CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H]([NH3+])CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=S ZINC000029551078 562030956 /nfs/dbraw/zinc/03/09/56/562030956.db2.gz ZBUYOGIRGFMTSH-HXUWFJFHSA-N 2 0 572.736 1.810 1 0 KDAFRP c1cc(CN2CCC[NH2+]CCOCCC[NH2+]CC2)ccc1CN1CCC[NH2+]CCOCCC[NH2+]CC1 ZINC000032037057 562036868 /nfs/dbraw/zinc/03/68/68/562036868.db2.gz PDEXCZBTZRPZCY-UHFFFAOYSA-N 4 0 504.764 1.270 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCN(C(N)=[NH2+])CC2)c1 ZINC000034689213 562039672 /nfs/dbraw/zinc/03/96/72/562039672.db2.gz NIWIENJDMXAAME-DEOSSOPVSA-N 2 0 539.706 1.946 1 0 KDAFRP NC(=[NH2+])NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000034689217 562039677 /nfs/dbraw/zinc/03/96/77/562039677.db2.gz VBKUOMYCYPUADB-SANMLTNESA-N 2 0 610.785 1.452 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)N2CCN(C(=O)C3CCN(C(N)=[NH2+])CC3)CC2)c1 ZINC000034689218 562039679 /nfs/dbraw/zinc/03/96/79/562039679.db2.gz ISJHUGBFRNYINE-LJAQVGFWSA-N 2 0 644.802 1.804 1 0 KDAFRP NC(=[NH2+])NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc(Cc3ccncc3)cc2)CC1 ZINC000034689227 562039822 /nfs/dbraw/zinc/03/98/22/562039822.db2.gz OPRRBUYXVSMDBX-MHZLTWQESA-N 2 0 590.754 1.958 1 0 KDAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000034689249 562039776 /nfs/dbraw/zinc/03/97/76/562039776.db2.gz WBAKUPSUHRKONA-MNAPGUCWSA-N 2 0 722.715 1.669 1 0 KDAFRP NC(=[NH2+])NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000034717891 562039994 /nfs/dbraw/zinc/03/99/94/562039994.db2.gz USBBTJRFWQTEPV-SANMLTNESA-N 2 0 604.737 1.071 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCC[NH3+])c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000034717895 562040011 /nfs/dbraw/zinc/04/00/11/562040011.db2.gz JFUQGOKQNWYPFR-DEOSSOPVSA-N 3 0 557.721 1.125 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(CCC[NH3+])CC2)c1 ZINC000034717913 562040056 /nfs/dbraw/zinc/04/00/56/562040056.db2.gz FPBMUTVWKLSSHT-DEOSSOPVSA-N 3 0 557.721 1.125 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(C(N)=[NH2+])c2)NC1=O ZINC000034804723 562043237 /nfs/dbraw/zinc/04/32/37/562043237.db2.gz SUHBTOMKHJCWKW-CHQNGUEUSA-N 2 0 738.850 1.740 1 0 KDAFRP Cc1c2c(c(C)c(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCN(C(=O)CCNC(N)=[NH2+])CC3)c1C)CC(C)(C)O2 ZINC000036107725 562047345 /nfs/dbraw/zinc/04/73/45/562047345.db2.gz JDZDOEGGWHUFAN-DEOSSOPVSA-N 2 0 640.811 1.043 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@@H]1[C@H]([NH3+])C[C@@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@H]1O ZINC000036176773 562049366 /nfs/dbraw/zinc/04/93/66/562049366.db2.gz IHRASRQJRXKRMB-CQQLTZKSSA-N 4 0 503.591 1.431 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@@H]1[C@H]([NH3+])C[C@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@H]1O ZINC000036176777 562049362 /nfs/dbraw/zinc/04/93/62/562049362.db2.gz IHRASRQJRXKRMB-DTXWBZGDSA-N 4 0 503.591 1.431 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@@H]1[C@H]([NH3+])C[C@@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@@H]1O ZINC000036176782 562049376 /nfs/dbraw/zinc/04/93/76/562049376.db2.gz IHRASRQJRXKRMB-VQDSBOJYSA-N 4 0 503.591 1.431 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@@H]1[C@H]([NH3+])C[C@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@@H]1O ZINC000036176785 562049395 /nfs/dbraw/zinc/04/93/95/562049395.db2.gz IHRASRQJRXKRMB-FVESOWDASA-N 4 0 503.591 1.431 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@H]1[C@H](O)[C@H]([NH3+])C[C@@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000036176788 562049402 /nfs/dbraw/zinc/04/94/02/562049402.db2.gz WYNYJAPRXMNOGA-GQFKRECVSA-N 4 0 503.591 1.431 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@H]1[C@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000036176791 562049379 /nfs/dbraw/zinc/04/93/79/562049379.db2.gz WYNYJAPRXMNOGA-HZDRLRHHSA-N 4 0 503.591 1.431 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@@H]1[C@H](O)[C@H]([NH3+])C[C@@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000036176795 562049394 /nfs/dbraw/zinc/04/93/94/562049394.db2.gz WYNYJAPRXMNOGA-RYFZRTLDSA-N 4 0 503.591 1.431 1 0 KDAFRP [NH3+]CCC[NH2+]CCO[C@@H]1[C@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000036176799 562049390 /nfs/dbraw/zinc/04/93/90/562049390.db2.gz WYNYJAPRXMNOGA-DPDIENECSA-N 4 0 503.591 1.431 1 0 KDAFRP Cc1nc(CCCNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000036216387 562051469 /nfs/dbraw/zinc/05/14/69/562051469.db2.gz RDFWKZLSMLYAEA-DQEYMECFSA-N 2 0 564.687 1.117 1 0 KDAFRP Cc1nc(CCCCNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000036216389 562051463 /nfs/dbraw/zinc/05/14/63/562051463.db2.gz XRBXTRPVPOFRAB-DQEYMECFSA-N 2 0 564.687 1.117 1 0 KDAFRP C[C@@H](CO)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])C[C@H]1C ZINC000036284861 562053469 /nfs/dbraw/zinc/05/34/69/562053469.db2.gz RONXLXXIACZMJU-YZZKKUAISA-N 2 0 551.519 1.972 1 0 KDAFRP C[C@@H](CO)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])C[C@@H]1C ZINC000036284865 562053487 /nfs/dbraw/zinc/05/34/87/562053487.db2.gz RONXLXXIACZMJU-IUKKYPGJSA-N 2 0 551.519 1.972 1 0 KDAFRP CC(C)(CO)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285129 562053823 /nfs/dbraw/zinc/05/38/23/562053823.db2.gz COOGJODHRJNYQU-JOCHJYFZSA-N 2 0 551.519 1.974 1 0 KDAFRP CC[C@@H](CO)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285212 562053917 /nfs/dbraw/zinc/05/39/17/562053917.db2.gz FDOBOLWGMHAYGX-JTHBVZDNSA-N 2 0 551.519 1.974 1 0 KDAFRP CC[C@H](CO)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285215 562053957 /nfs/dbraw/zinc/05/39/57/562053957.db2.gz FDOBOLWGMHAYGX-FYYLOGMGSA-N 2 0 551.519 1.974 1 0 KDAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2C[NH2+]CCO)CC1 ZINC000036285218 562053924 /nfs/dbraw/zinc/05/39/24/562053924.db2.gz UTCZWFMPHRULRN-OAQYLSRUSA-N 2 0 523.465 1.195 1 0 KDAFRP NC(=[NH2+])NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036285221 562053876 /nfs/dbraw/zinc/05/38/76/562053876.db2.gz LKXMYEXGCGGDSC-GOGZTAQTSA-N 2 0 613.763 1.795 1 0 KDAFRP NC(=[NH2+])NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC[NH2+]CC1 ZINC000036285228 562053948 /nfs/dbraw/zinc/05/39/48/562053948.db2.gz NISOYWYHGOQPMJ-IDZRBWSNSA-N 2 0 613.763 1.652 1 0 KDAFRP CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CCNC(N)=[NH2+])C1=O ZINC000036285731 562054289 /nfs/dbraw/zinc/05/42/89/562054289.db2.gz XAHOMYQYMFNUJP-ZNZIZOMTSA-N 2 0 561.662 1.119 1 0 KDAFRP CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CC[NH3+])C1=O ZINC000036285903 562054561 /nfs/dbraw/zinc/05/45/61/562054561.db2.gz NODFZMIIOOJXQA-ZNZIZOMTSA-N 2 0 519.621 1.594 1 0 KDAFRP c1ccc(-c2cc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)n2)cc1 ZINC000038154061 562067833 /nfs/dbraw/zinc/06/78/33/562067833.db2.gz JMBAQNKPHSQCRU-UHFFFAOYSA-N 4 0 579.882 1.478 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000039196557 562072868 /nfs/dbraw/zinc/07/28/68/562072868.db2.gz MWLLGEVAEDIFRC-PKTZIBPZSA-N 2 0 578.139 1.157 1 0 in-vitro KDAFRP [NH3+]CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040392677 562073681 /nfs/dbraw/zinc/07/36/81/562073681.db2.gz MSDIBQMGZPXKLS-QHCPKHFHSA-N 2 0 501.653 1.451 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NCCC[NH3+])c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040395670 562074466 /nfs/dbraw/zinc/07/44/66/562074466.db2.gz DXEGNZVFQLRMQP-DEOSSOPVSA-N 3 0 529.711 1.208 1 0 KDAFRP CC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000040429458 562076713 /nfs/dbraw/zinc/07/67/13/562076713.db2.gz DIJNMZDNCSWBBP-QFIPXVFZSA-N 2 0 514.652 1.406 1 0 KDAFRP CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040861604 562080825 /nfs/dbraw/zinc/08/08/25/562080825.db2.gz CPCMZDILGQJEOE-QHCPKHFHSA-N 2 0 528.679 1.796 1 0 KDAFRP [NH3+]CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](CCc2ccccc2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040865292 562081323 /nfs/dbraw/zinc/08/13/23/562081323.db2.gz DKUOOTYZOPFXLD-DEOSSOPVSA-N 2 0 515.680 1.841 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(CCCC[NH3+])c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040876821 562082324 /nfs/dbraw/zinc/08/23/24/562082324.db2.gz WAFSHTVICTUASP-VWLOTQADSA-N 3 0 528.723 1.729 1 0 KDAFRP NC(=[NH2+])NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)CNC(N)=[NH2+])ccc21 ZINC000040899799 562083407 /nfs/dbraw/zinc/08/34/07/562083407.db2.gz ZXBHUQJCXZWNQY-UHFFFAOYSA-N 2 0 516.610 1.390 1 0 KDAFRP NC(=[NH2+])NCCCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2cc(NC(=O)CCNC(N)=[NH2+])ccc21 ZINC000040934760 562084821 /nfs/dbraw/zinc/08/48/21/562084821.db2.gz CGZUGSQBAVEODG-UHFFFAOYSA-N 2 0 530.637 1.780 1 0 KDAFRP C[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1cccc(NC(=O)CC[NH3+])c1 ZINC000040952844 562086279 /nfs/dbraw/zinc/08/62/79/562086279.db2.gz ZTGIKJJBRLQJBY-VGSWGCGISA-N 2 0 514.652 1.549 1 0 KDAFRP C[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1cccc(NC(=O)CC[NH3+])c1 ZINC000040952845 562086353 /nfs/dbraw/zinc/08/63/53/562086353.db2.gz ZTGIKJJBRLQJBY-JTSKRJEESA-N 2 0 514.652 1.549 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCCCC2)c1 ZINC000040955895 562086587 /nfs/dbraw/zinc/08/65/87/562086587.db2.gz GKBRVKPJRGQUHI-NRFANRHFSA-N 2 0 500.625 1.160 1 0 KDAFRP CC[NH2+]C1=CC(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C[C@@H]2[C@@H]1CCCS(=O)(=O)N2C ZINC000043080606 581096307 /nfs/dbraw/zinc/09/63/07/581096307.db2.gz AQIJOJGVCKSHJW-RVFVQDDPSA-N 2 0 502.681 1.300 1 0 KDAFRP CC[NH2+]C1=CC(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C[C@H]2[C@@H]1CCCS(=O)(=O)N2C ZINC000043080610 581096331 /nfs/dbraw/zinc/09/63/31/581096331.db2.gz AQIJOJGVCKSHJW-DDKRZIBASA-N 2 0 502.681 1.300 1 0 KDAFRP CC[NH2+]C1=CC(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C[C@@H]2[C@H]1CCCS(=O)(=O)N2C ZINC000043080613 581096265 /nfs/dbraw/zinc/09/62/65/581096265.db2.gz AQIJOJGVCKSHJW-VLYJIQRVSA-N 2 0 502.681 1.300 1 0 KDAFRP CC[NH2+]C1=CC(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C[C@H]2[C@H]1CCCS(=O)(=O)N2C ZINC000043080616 581096305 /nfs/dbraw/zinc/09/63/05/581096305.db2.gz AQIJOJGVCKSHJW-BELIEFIBSA-N 2 0 502.681 1.300 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc([C@@H]3CCC(N)=[NH+]C3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000043198204 562646822 /nfs/dbraw/zinc/64/68/22/562646822.db2.gz JLKDEEFFWQESQM-NOZRDPDXSA-N 3 0 553.733 1.682 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc([C@@H]3CCC(N)=[NH+]C3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000043198205 562646813 /nfs/dbraw/zinc/64/68/13/562646813.db2.gz JLKDEEFFWQESQM-ILBGXUMGSA-N 3 0 553.733 1.682 1 0 KDAFRP CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1C[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000043543846 562649458 /nfs/dbraw/zinc/64/94/58/562649458.db2.gz HYADBHKWXWVHGO-HKBQPEDESA-N 4 0 562.715 1.868 1 0 KDAFRP Cc1ccc2nc(-c3ccc(Nc4nc(N5C[C@H]([NH3+])C[C@H]([NH3+])C5)nc(N5C[C@H]([NH3+])C[C@H]([NH3+])C5)n4)cc3)sc2c1 ZINC000043544006 562649585 /nfs/dbraw/zinc/64/95/85/562649585.db2.gz WIRJZNKRWZQUOQ-FGYAAKKASA-N 4 0 545.721 1.930 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000044005741 562651456 /nfs/dbraw/zinc/65/14/56/562651456.db2.gz LEIVFBHDRDDCBP-LTDXUTRSSA-N 3 0 545.628 1.561 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@H]1[C@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000044005745 562651450 /nfs/dbraw/zinc/65/14/50/562651450.db2.gz LEIVFBHDRDDCBP-JCMXLGDNSA-N 3 0 545.628 1.561 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H](O)[C@H]([NH3+])C[C@@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000044005748 562651415 /nfs/dbraw/zinc/65/14/15/562651415.db2.gz LEIVFBHDRDDCBP-IIMCKCCJSA-N 3 0 545.628 1.561 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@H]1[C@H](O)[C@H]([NH3+])C[C@@H]([NH3+])[C@@H]1OCSc1ccnc2cc(C(F)(F)F)ccc21 ZINC000044005752 562651446 /nfs/dbraw/zinc/65/14/46/562651446.db2.gz LEIVFBHDRDDCBP-MTJRIOAFSA-N 3 0 545.628 1.561 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@@H]1O ZINC000044265205 562652744 /nfs/dbraw/zinc/65/27/44/562652744.db2.gz ODQYVYHOFMVCAB-VBRDXMQMSA-N 3 0 545.628 1.561 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@@H]1O ZINC000044265208 562652764 /nfs/dbraw/zinc/65/27/64/562652764.db2.gz ODQYVYHOFMVCAB-FEBQYDHISA-N 3 0 545.628 1.561 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@H]1O ZINC000044265212 562652772 /nfs/dbraw/zinc/65/27/72/562652772.db2.gz ODQYVYHOFMVCAB-WFYAKITOSA-N 3 0 545.628 1.561 1 0 KDAFRP C[NH+](C)CCCNC(=O)CO[C@@H]1[C@H]([NH3+])C[C@@H]([NH3+])[C@H](OCSc2ccnc3cc(C(F)(F)F)ccc32)[C@H]1O ZINC000044265215 562652750 /nfs/dbraw/zinc/65/27/50/562652750.db2.gz ODQYVYHOFMVCAB-DUONVIGWSA-N 3 0 545.628 1.561 1 0 KDAFRP CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000044305422 562653473 /nfs/dbraw/zinc/65/34/73/562653473.db2.gz HWNRARJHWWELBD-VWLOTQADSA-N 2 0 599.758 1.302 1 0 KDAFRP Nc1[nH]c([C@H]2[C@H](CNC(=O)c3ccc[nH]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H]2c2c[nH+]c(N)[nH]2)c[nH+]1 ZINC000044359134 562655426 /nfs/dbraw/zinc/65/54/26/562655426.db2.gz OHXDZYOSEDUXGN-GWIYSAMLSA-N 2 0 541.414 1.689 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc([C@H]3CCC(N)=[NH+]C3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000044406431 562656880 /nfs/dbraw/zinc/65/68/80/562656880.db2.gz JLKDEEFFWQESQM-ZCYQVOJMSA-N 3 0 553.733 1.682 1 0 KDAFRP C[NH+]1CCN(c2ccc3nccc(CC[NH+]4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)CC1 ZINC000045191878 562658560 /nfs/dbraw/zinc/65/85/60/562658560.db2.gz CUSVTZGWSDWACT-UHFFFAOYSA-N 2 0 516.650 1.904 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CC[NH3+])cc1)[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045258486 562659955 /nfs/dbraw/zinc/65/99/55/562659955.db2.gz BLCZHIFSBSOPKO-NRFANRHFSA-N 2 0 527.622 1.551 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CC[NH3+])cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045258491 562659947 /nfs/dbraw/zinc/65/99/47/562659947.db2.gz BLCZHIFSBSOPKO-OAQYLSRUSA-N 2 0 527.622 1.551 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[NH3+])cc1)[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045314723 562660854 /nfs/dbraw/zinc/66/08/54/562660854.db2.gz XVOLBAKPDHMKHO-FQEVSTJZSA-N 2 0 513.595 1.161 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[NH3+])cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045314728 562660852 /nfs/dbraw/zinc/66/08/52/562660852.db2.gz XVOLBAKPDHMKHO-HXUWFJFHSA-N 2 0 513.595 1.161 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCCCC[NH3+])c2)CC1)C(=O)[O-] ZINC000049054806 562663892 /nfs/dbraw/zinc/66/38/92/562663892.db2.gz GPQBLLNYVNBPKC-NRFANRHFSA-N 2 0 503.648 1.189 1 0 KDAFRP COc1ccc(CC[NH2+]C[C@H](O)COc2nccc3c2cccc3S(=O)(=O)N2CCC[NH2+]CC2)cc1OC ZINC000049626976 562667483 /nfs/dbraw/zinc/66/74/83/562667483.db2.gz RAPCHYQUVPJIEY-NRFANRHFSA-N 2 0 544.674 1.808 1 0 KDAFRP COc1ccc(CC[NH2+]C[C@@H](O)COc2nccc3c2cccc3S(=O)(=O)N2CCC[NH2+]CC2)cc1OC ZINC000049626979 562667449 /nfs/dbraw/zinc/66/74/49/562667449.db2.gz RAPCHYQUVPJIEY-OAQYLSRUSA-N 2 0 544.674 1.808 1 0 KDAFRP NC(=[NH2+])NCCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000049627295 562667524 /nfs/dbraw/zinc/66/75/24/562667524.db2.gz UPVIZTSWVQCULU-RNTNBXDSSA-N 2 0 692.817 1.897 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]([NH3+])CCC[NH3+])cc1)[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000049677983 562668426 /nfs/dbraw/zinc/66/84/26/562668426.db2.gz ZRGLSSFFNJDYDK-GGAORHGYSA-N 3 0 570.691 1.269 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1)[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000049677986 562668437 /nfs/dbraw/zinc/66/84/37/562668437.db2.gz ZRGLSSFFNJDYDK-GMAHTHKFSA-N 3 0 570.691 1.269 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]([NH3+])CCC[NH3+])cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000049677989 562668412 /nfs/dbraw/zinc/66/84/12/562668412.db2.gz ZRGLSSFFNJDYDK-FYYLOGMGSA-N 3 0 570.691 1.269 1 0 KDAFRP CC(C)(Cc1ccc(NC(=O)CCCNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000049677992 562668427 /nfs/dbraw/zinc/66/84/27/562668427.db2.gz ZRGLSSFFNJDYDK-JTHBVZDNSA-N 3 0 570.691 1.269 1 0 KDAFRP COc1cc(CC(C[NH3+])(Cc2cc(OC)cc(OC)c2)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(N)=O)cc(OC)c1 ZINC000049679193 562668786 /nfs/dbraw/zinc/66/87/86/562668786.db2.gz ICXVFQFCUJMCGV-DEOSSOPVSA-N 2 0 558.680 1.075 1 0 KDAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2ccc3ccccc3c2)[C@@H]1OCc1ccc2ccccc2c1 ZINC000049694637 562669609 /nfs/dbraw/zinc/66/96/09/562669609.db2.gz JMWDKOJTXQKPQI-KEQLYTDTSA-N 4 0 602.732 1.640 1 0 KDAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2cccc3ccccc32)[C@@H]1O ZINC000049694681 562669642 /nfs/dbraw/zinc/66/96/42/562669642.db2.gz QPZYLVHLJXMVPN-MRUDNGBMSA-N 4 0 602.732 1.640 1 0 KDAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccccc3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000049694722 562669721 /nfs/dbraw/zinc/66/97/21/562669721.db2.gz KFSMAOGZLUUDER-GYOPUMEISA-N 4 0 592.737 1.558 1 0 KDAFRP CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3C[NH2+]C3)C(=O)O[C@@]21C ZINC000049694851 562669837 /nfs/dbraw/zinc/66/98/37/562669837.db2.gz NRRKOXGNVOPECW-QYWKDBBZSA-N 2 0 653.814 1.508 1 0 KDAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](OCc3ccc4ccccc4c3)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1OCc1ccc2ccccc2c1 ZINC000049695347 562670474 /nfs/dbraw/zinc/67/04/74/562670474.db2.gz KGKPOXOKFZITDX-KEQLYTDTSA-N 4 0 602.732 1.640 1 0 KDAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1OCc1ccc2ccccc2c1 ZINC000049695417 562670526 /nfs/dbraw/zinc/67/05/26/562670526.db2.gz XGYSOXMZKXSCIA-MRUDNGBMSA-N 4 0 602.732 1.640 1 0 KDAFRP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CNC(N)=[NH2+] ZINC000049708673 562671043 /nfs/dbraw/zinc/67/10/43/562671043.db2.gz JXUHBFWPZHCAKE-FCRIMTMASA-N 2 0 533.677 1.367 1 0 KDAFRP C[NH+](C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)[NH2+]C[C@H](O)c2ccc(O)c3c2OCC(=O)N3)cc1 ZINC000049709491 562671324 /nfs/dbraw/zinc/67/13/24/562671324.db2.gz HKBJMFYJKMLPOJ-QFIPXVFZSA-N 2 0 541.649 1.764 1 0 KDAFRP C[NH+](C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)[NH2+]C[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)cc1 ZINC000049709496 562671315 /nfs/dbraw/zinc/67/13/15/562671315.db2.gz HKBJMFYJKMLPOJ-JOCHJYFZSA-N 2 0 541.649 1.764 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1)C(=O)NCc1ccccc1 ZINC000049709535 562671382 /nfs/dbraw/zinc/67/13/82/562671382.db2.gz CFSDPSOKJLJSIF-FSLZXCMFSA-N 2 0 534.709 1.812 1 0 KDAFRP CCCCCCNC(=O)O[C@H]1[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@@H]2CC[C@H]([NH3+])[C@@H](C[NH3+])O2)[C@@H]1OC(=O)NCCCCCC ZINC000049761829 562676132 /nfs/dbraw/zinc/67/61/32/562676132.db2.gz VXGBNWZZQKVVAL-JELZRBBFSA-N 4 0 544.738 1.571 1 0 KDAFRP NC(=O)CCNC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](Cc1ccc(O)cc1)NC[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049774986 562678830 /nfs/dbraw/zinc/67/88/30/562678830.db2.gz ORQHCKNXGKDRRO-GSDHBNRESA-N 2 0 535.689 1.540 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(C(=O)CC(=O)Nc4cccc(Br)c4)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000049776246 562679284 /nfs/dbraw/zinc/67/92/84/562679284.db2.gz MRWAYYDDGNALGR-FXELSEDVSA-N 4 0 638.575 1.319 1 0 KDAFRP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000049781902 562683114 /nfs/dbraw/zinc/68/31/14/562683114.db2.gz SZDJKNOHLBVENT-POYMRFPPSA-N 4 0 673.848 1.754 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](C[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000049808428 562686682 /nfs/dbraw/zinc/68/66/82/562686682.db2.gz NHCYVPYZNFHZFB-YAFWASLJSA-N 2 0 720.875 1.880 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(CCCC(N)=O)CC2)c1 ZINC000049878278 562690520 /nfs/dbraw/zinc/69/05/20/562690520.db2.gz BFTYGDVTHSJQNS-DEOSSOPVSA-N 2 0 585.731 1.042 1 0 KDAFRP CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC[NH3+])C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049888638 562691379 /nfs/dbraw/zinc/69/13/79/562691379.db2.gz OKGIAOGKYSTPFC-FAAYKOAXSA-N 2 0 616.793 1.052 1 0 KDAFRP COC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000049888729 562691393 /nfs/dbraw/zinc/69/13/93/562691393.db2.gz FHNQZDABTSHEEZ-VWLOTQADSA-N 2 0 600.742 1.729 1 0 KDAFRP NC(=O)c1ccc2c3c1O[C@H]1[C@@H]4[NH2+][C@H]5[C@@H]6Oc7c8c(ccc7C(N)=O)C[C@H]7[N@H+](CC9CC9)CC[C@]86[C@@]7(O)C[C@H]5[C@@H]4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314 ZINC000049898242 562692353 /nfs/dbraw/zinc/69/23/53/562692353.db2.gz JVDIYRCPKNTHHT-YDLLZYFOSA-N 3 0 719.883 1.505 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2ccc(C(N)=[NH2+])cc2)NC1=O ZINC000049933022 562694870 /nfs/dbraw/zinc/69/48/70/562694870.db2.gz PJCPSTPSHWWXOM-CHQNGUEUSA-N 2 0 738.850 1.740 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(C(=O)N4CCc5cc(Br)ccc54)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000049942447 562695498 /nfs/dbraw/zinc/69/54/98/562695498.db2.gz WIBKRNLNRONIED-FGYAAKKASA-N 4 0 638.575 1.016 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](C[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000058468473 562697931 /nfs/dbraw/zinc/69/79/31/562697931.db2.gz NHCYVPYZNFHZFB-VATRIRCNSA-N 2 0 720.875 1.880 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000058534244 562698697 /nfs/dbraw/zinc/69/86/97/562698697.db2.gz WINIFJNDPLPGFU-ZXRKZBAXSA-N 3 0 653.792 1.135 1 0 KDAFRP CCC(=O)NCC[NH2+]CCNC(=O)CCC(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000058581757 562699880 /nfs/dbraw/zinc/69/98/80/562699880.db2.gz GUXRQKUMXPOLCD-WJOKGBTCSA-N 2 0 714.868 1.758 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)NCc1ccccc1 ZINC000058590726 562700334 /nfs/dbraw/zinc/70/03/34/562700334.db2.gz HNFKXYNROBMUAI-ZXRKZBAXSA-N 3 0 653.792 1.135 1 0 KDAFRP [NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCC(=O)NCC[NH3+] ZINC000058592615 562700622 /nfs/dbraw/zinc/70/06/22/562700622.db2.gz WDKQTGMPIIWDJN-HHHXNRCGSA-N 2 0 615.735 1.601 1 0 KDAFRP NC(=[NH2+])Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(N)=[NH2+])c4ccccc34)[C@H](NC(N)=[NH2+])C[C@@H]2NC(N)=[NH2+])cc1 ZINC000059637566 562702153 /nfs/dbraw/zinc/70/21/53/562702153.db2.gz UVRHIDIJLSSUHQ-YUVXSKOASA-N 4 0 546.640 1.143 1 0 KDAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000064527317 562706890 /nfs/dbraw/zinc/70/68/90/562706890.db2.gz XACBWWAPIAAVLN-VWLOTQADSA-N 3 0 516.731 1.225 1 0 KDAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1 ZINC000064527496 562706997 /nfs/dbraw/zinc/70/69/97/562706997.db2.gz QOQIYAQCUYNZAI-SANMLTNESA-N 3 0 524.710 1.349 1 0 KDAFRP NC(=[NH2+])Nc1ccc(N[C@H]2C[C@@H](NC(N)=[NH2+])[C@H](Oc3ccc(NC(N)=[NH2+])cc3)C[C@@H]2Oc2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000070613830 562716432 /nfs/dbraw/zinc/71/64/32/562716432.db2.gz PKMXMBXOZUEHDV-UARRHKHWSA-N 4 0 587.693 1.924 1 0 KDAFRP NC(=[NH2+])NCCCCCCC(=O)N[C@H](C(=O)NCCCC[NH2+]CCC[NH3+])c1ccc(Br)cc1 ZINC000071341927 562720113 /nfs/dbraw/zinc/72/01/13/562720113.db2.gz IGQBJSZIPLIERT-NRFANRHFSA-N 3 0 526.524 1.875 1 0 KDAFRP NC(=[NH2+])NCCCCCCC(=O)N[C@@H](C(=O)NCCCC[NH2+]CCC[NH3+])c1ccc(Br)cc1 ZINC000071341928 562720081 /nfs/dbraw/zinc/72/00/81/562720081.db2.gz IGQBJSZIPLIERT-OAQYLSRUSA-N 3 0 526.524 1.875 1 0 KDAFRP CO[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CCO[C@@H](OC)CC(=O)NCCO[C@@H](OC)CC3)cc2)CCO[C@@H](OC)CC(=O)NCCO1 ZINC000072104213 562720445 /nfs/dbraw/zinc/72/04/45/562720445.db2.gz YVKNCSHJNJWAAM-SEVDZJIVSA-N 2 0 654.802 1.067 1 0 KDAFRP CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1 ZINC000072114718 562722800 /nfs/dbraw/zinc/72/28/00/562722800.db2.gz WPLYAQZKJBMMHR-SMIHKQSGSA-N 2 0 513.708 1.509 1 0 KDAFRP [NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C[C@H]1C(=O)NCCc1ccc2ccccc2c1 ZINC000072117171 562723416 /nfs/dbraw/zinc/72/34/16/562723416.db2.gz NXYBNPDRFJLMLU-FCEKVYKBSA-N 2 0 545.684 1.704 1 0 KDAFRP CC(C)C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc(I)cc1 ZINC000072118186 562723464 /nfs/dbraw/zinc/72/34/64/562723464.db2.gz IKIUEYKZCHTDJN-MLNNCEHLSA-N 2 0 552.457 1.869 1 0 KDAFRP [NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C(=O)NCCc1ccc2ccccc2c1 ZINC000072118629 562723614 /nfs/dbraw/zinc/72/36/14/562723614.db2.gz RMWBRBUBLSNNMT-FCEKVYKBSA-N 2 0 529.685 1.998 1 0 KDAFRP C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@]1(O[C@H]2CO[C@@H]4N2[C@H]1O[C@]41CC[C@@]2(O)[C@H]4Cc6ccc(O)c7c6[C@@]2(CC[N@H+]4C)[C@H]1O7)[C@@H]3O5 ZINC000072125717 562725198 /nfs/dbraw/zinc/72/51/98/562725198.db2.gz PUZSAMLELIPZGH-KXDPPJBDSA-N 2 0 685.774 1.214 1 0 KDAFRP C[NH2+]CCCNC(=O)COCC(=O)NCC(=O)NCC(=O)Nc1cccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000072131676 562726737 /nfs/dbraw/zinc/72/67/37/562726737.db2.gz CMTAFJFUXXXHCL-MUUNZHRXSA-N 2 0 706.672 1.745 1 0 KDAFRP COc1cc2c(cc1OCCOCC[NH+](C)C)nc(N1CC[NH+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000072134947 562727438 /nfs/dbraw/zinc/72/74/38/562727438.db2.gz FXABVICSLKZOEC-UHFFFAOYSA-N 3 0 501.676 1.853 1 0 KDAFRP CC(C)C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc(I)cc1 ZINC000072142556 562729587 /nfs/dbraw/zinc/72/95/87/562729587.db2.gz CSPUKTBNCMXQLD-KJJMTIBFSA-N 2 0 552.457 1.869 1 0 KDAFRP NC(=[NH2+])NC/C=C/CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000072171851 562730514 /nfs/dbraw/zinc/73/05/14/562730514.db2.gz YNJWBUQIDPLPEI-QUCRPKNUSA-N 3 0 578.762 1.279 1 0 KDAFRP NC(=[NH2+])NC[C@H]1CCN(C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072171860 562730512 /nfs/dbraw/zinc/73/05/12/562730512.db2.gz GUPQOKCQYWYXMS-KGPYPHOUSA-N 3 0 592.789 1.455 1 0 KDAFRP NC(=[NH2+])NC[C@@H]1CCN(C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072171861 562730543 /nfs/dbraw/zinc/73/05/43/562730543.db2.gz GUPQOKCQYWYXMS-WIRXVTQYSA-N 3 0 592.789 1.455 1 0 KDAFRP NC(=[NH2+])NCC1CCN(C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072171922 562730561 /nfs/dbraw/zinc/73/05/61/562730561.db2.gz CPDRLDJFCFTLJE-VMPREFPWSA-N 3 0 606.816 1.845 1 0 KDAFRP NC(=[NH2+])NCCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000072172068 562730616 /nfs/dbraw/zinc/73/06/16/562730616.db2.gz HUUQPVBKMRJIHT-NSOVKSMOSA-N 3 0 594.805 1.893 1 0 KDAFRP NC(=[NH2+])NCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000072172069 562730594 /nfs/dbraw/zinc/73/05/94/562730594.db2.gz VNHISTFBEMHICG-UIOOFZCWSA-N 3 0 566.751 1.113 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000072172143 562730650 /nfs/dbraw/zinc/73/06/50/562730650.db2.gz FEULFDOAGOQVKM-SVBPBHIXSA-N 3 0 580.778 1.503 1 0 KDAFRP CC(C)[C@H]([NH2+]Cc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000072177488 562731800 /nfs/dbraw/zinc/73/18/00/562731800.db2.gz PAHLSHHSYZMZRN-YADHBBJMSA-N 3 0 515.684 1.405 1 0 KDAFRP CCC[C@H]([NH2+]Cc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000072177674 562731845 /nfs/dbraw/zinc/73/18/45/562731845.db2.gz PXVSKSKOTDZVPH-FCHUYYIVSA-N 3 0 515.684 1.550 1 0 KDAFRP CC[C@H]([NH2+]Cc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000072177768 562731873 /nfs/dbraw/zinc/73/18/73/562731873.db2.gz HTOGBQJUJBBWIE-LEWJYISDSA-N 3 0 501.657 1.159 1 0 KDAFRP CC(C)[NH+]1CCN(C(=O)C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000072177947 562731936 /nfs/dbraw/zinc/73/19/36/562731936.db2.gz SUVKWOLSDPDTDN-SXOMAYOGSA-N 2 0 625.796 1.009 1 0 KDAFRP CC[C@H](C)[C@H]([NH2+]Cc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000072178233 562732006 /nfs/dbraw/zinc/73/20/06/562732006.db2.gz YGRVLWUTIQEYQB-NMNUPHIUSA-N 3 0 529.711 1.796 1 0 KDAFRP CC(C)(C)OC(=O)C[C@H](NCc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000072178591 562732083 /nfs/dbraw/zinc/73/20/83/562732083.db2.gz ZZJGITAKIQCFNN-PKTZIBPZSA-N 2 0 587.747 1.481 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(N)=[NH2+])cc1 ZINC000072178762 562732138 /nfs/dbraw/zinc/73/21/38/562732138.db2.gz FLWUPTRCXWFCHH-FTJBHMTQSA-N 3 0 563.728 1.992 1 0 KDAFRP CC(C)C[C@H]([NH2+]Cc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000072179311 562732307 /nfs/dbraw/zinc/73/23/07/562732307.db2.gz PPVQRZZJMMPLIX-PKTZIBPZSA-N 3 0 529.711 1.796 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(C(N)=[NH2+])cc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000072179431 562732326 /nfs/dbraw/zinc/73/23/26/562732326.db2.gz KSNMRDRVDBSGNM-FTJBHMTQSA-N 2 0 589.722 1.593 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCC[NH3+])NS(=O)(=O)Cc2ccccc2)cc1 ZINC000072179813 562732419 /nfs/dbraw/zinc/73/24/19/562732419.db2.gz LCMZZAYNITZFAI-PKTZIBPZSA-N 2 0 528.679 1.195 1 0 KDAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4ccccc4)cn3C)cn2CCC[NH3+])nc1C(=O)NCC[NH+](C)C ZINC000082157792 562741010 /nfs/dbraw/zinc/74/10/10/562741010.db2.gz FIQYFRAULMSMIJ-UHFFFAOYSA-N 2 0 603.688 1.352 1 0 KDAFRP CO[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CCO[C@H](OC)CC(=O)NCCO[C@@H](OC)CC3)cc2)CCO[C@H](OC)CC(=O)NCCO1 ZINC000084339041 562742849 /nfs/dbraw/zinc/74/28/49/562742849.db2.gz YVKNCSHJNJWAAM-ZRTHHSRSSA-N 2 0 654.802 1.067 1 0 KDAFRP COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CN1CCC[NH2+]CCC[NH2+]CCC1 ZINC000084521145 562743227 /nfs/dbraw/zinc/74/32/27/562743227.db2.gz KYSVYLKCWBHIPD-UIOOFZCWSA-N 2 0 542.725 1.564 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCc1nc(C)c(CNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000084597540 562743972 /nfs/dbraw/zinc/74/39/72/562743972.db2.gz NWDPDRBNZCCUIU-BJKOFHAPSA-N 2 0 550.660 1.096 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCc1nc(C)c(CNC(=O)[C@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000084597541 562744000 /nfs/dbraw/zinc/74/40/00/562744000.db2.gz NWDPDRBNZCCUIU-DNQXCXABSA-N 2 0 550.660 1.096 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NCc1nc(C)c(CNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)[nH]c1=O ZINC000084597542 562743989 /nfs/dbraw/zinc/74/39/89/562743989.db2.gz NWDPDRBNZCCUIU-ZEQRLZLVSA-N 2 0 550.660 1.096 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)NCc1[nH]c(=O)c(CNC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)nc1C ZINC000084597543 562743974 /nfs/dbraw/zinc/74/39/74/562743974.db2.gz NWDPDRBNZCCUIU-RPWUZVMVSA-N 2 0 550.660 1.096 1 0 KDAFRP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN1CCC[NH2+]CCC[NH2+]CCC1 ZINC000084602809 562744082 /nfs/dbraw/zinc/74/40/82/562744082.db2.gz ZMNFVCSZPYFPAO-ZEQRLZLVSA-N 2 0 503.688 1.083 1 0 KDAFRP COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])c1 ZINC000084618807 562745104 /nfs/dbraw/zinc/74/51/04/562745104.db2.gz SEBBPFGTIFLIEZ-VJBMBRPKSA-N 3 0 627.839 1.576 1 0 KDAFRP COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])c1 ZINC000084619965 562745387 /nfs/dbraw/zinc/74/53/87/562745387.db2.gz SEBBPFGTIFLIEZ-WWPVKYPJSA-N 3 0 627.839 1.576 1 0 KDAFRP C/C1=C\[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 ZINC000084652670 562746607 /nfs/dbraw/zinc/74/66/07/562746607.db2.gz PHCHIHSVNIVYCH-ILYQADPTSA-N 2 0 726.883 1.004 1 0 KDAFRP C/C1=C(/C)[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 ZINC000084652671 562746655 /nfs/dbraw/zinc/74/66/55/562746655.db2.gz QRXBSCHWFCNZSX-MXRRXXMQSA-N 2 0 740.910 1.394 1 0 KDAFRP [NH3+]CCCNCCC[NH2+]CCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(CCC[NH2+]CCCNCCC[NH3+])C4=O)cc2C1=O ZINC000084669405 562747978 /nfs/dbraw/zinc/74/79/78/562747978.db2.gz FQGZDNYWQFYBMG-UHFFFAOYSA-N 4 0 634.826 1.162 1 0 KDAFRP C/C1=C(/C)[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1 ZINC000084669596 562748024 /nfs/dbraw/zinc/74/80/24/562748024.db2.gz QRXBSCHWFCNZSX-UOWXLKRASA-N 2 0 740.910 1.394 1 0 KDAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(CCC[NH2+]CCCC[NH2+]CCC[NH3+])C4=O)cc2C1=O ZINC000084670143 562748203 /nfs/dbraw/zinc/74/82/03/562748203.db2.gz FDUZRQTYZBZEHJ-UHFFFAOYSA-N 6 0 662.880 1.942 1 0 KDAFRP c1c2nn(Cc3ccccc3)c1CNCC[NH2+]CCNCc1cc(n(Cc3ccccc3)n1)CNCC[NH2+]CCNC2 ZINC000084690521 562749642 /nfs/dbraw/zinc/74/96/42/562749642.db2.gz CSXJEYXZBSEEOY-UHFFFAOYSA-N 2 0 570.790 1.428 1 0 KDAFRP COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000084732352 562751799 /nfs/dbraw/zinc/75/17/99/562751799.db2.gz CUNMQRLIYWNEQE-UHFFFAOYSA-N 2 0 510.701 1.435 1 0 KDAFRP C[C@H](O)C[NH2+][C@H](CCCCCCC[C@](O)(C[NH2+][C@]1(C)CCN[C@H](N)C1)CC(=O)[O-])C[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1 ZINC000085487924 560075972 /nfs/dbraw/zinc/07/59/72/560075972.db2.gz NBMGLMJXPPFHTG-UURKVNEZSA-N 2 0 543.794 1.170 1 0 biogenic,in-vitro KDAFRP C[NH2+]C[C@H](CCCCCC[C@](O)(C[NH2+][C@]1(C)CCN[C@H](N)C1)CC(=O)[O-])CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1 ZINC000085487977 291707488 /nfs/dbraw/zinc/70/74/88/291707488.db2.gz TXHYAVVCUSKTJF-VUOAYCHCSA-N 2 0 513.768 1.667 1 0 biogenic,in-vitro KDAFRP C[C@H](O)C[NH2+][C@H](CCCCCCC[C@](O)(C[NH2+]C1(C)CC[NH2+]CC1)CC(=O)[O-])C[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1 ZINC000085488084 560075829 /nfs/dbraw/zinc/07/58/29/560075829.db2.gz NYROZWMLWXIEBZ-HJNWOWSPSA-N 3 0 528.779 1.885 1 0 biogenic,in-vitro KDAFRP CN[C@@H](C[NH2+]C)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CC[C@@H](O)C[NH2+]C)CC[C@H](C)O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1 ZINC000085596750 565156072 /nfs/dbraw/zinc/15/60/72/565156072.db2.gz ZFAXTFVBFZERCX-XEJIGVJVSA-N 3 0 638.847 1.492 1 0 biogenic,in-vitro KDAFRP CN[C@@H](C[NH2+]C)C(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1 ZINC000085596757 560063337 /nfs/dbraw/zinc/06/33/37/560063337.db2.gz SDVONDFVVLBRLH-YGIKYEMLSA-N 2 0 595.778 1.904 1 0 biogenic,in-vitro KDAFRP CN[C@@H](C[NH2+]C)C(=O)O[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1 ZINC000085596775 560063227 /nfs/dbraw/zinc/06/32/27/560063227.db2.gz CLQPBUIHGLQSQU-ASTYLPHCSA-N 2 0 537.698 1.905 1 0 biogenic,in-vitro KDAFRP CNC(=[NH2+])NC[C@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(OC3CC[NH2+]CC3)c2)OC(C)=O)C[C@H](O)[C@@H]1C ZINC000085628112 560068718 /nfs/dbraw/zinc/06/87/18/560068718.db2.gz FUUMNIAQWROFKZ-KMUNCBSQSA-N 2 0 534.698 1.905 1 0 biogenic,in-vitro KDAFRP CC(=O)O[C@H](CCc1cc(OC2CC[NH2+]CC2)c(O)cc1CO)C[C@@H](O)CC[C@@H]1CC[N@H+]2C[C@@H]3C[C@@H](CN(C3)C[NH+]=C(N)NC1)C2 ZINC000085628138 565161205 /nfs/dbraw/zinc/16/12/05/565161205.db2.gz DJXQNXOBLWLPRO-QEBWDMKQSA-N 2 0 644.858 1.756 1 0 biogenic,in-vitro KDAFRP CC(=O)O[C@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)C[C@@H](O)CC[C@H]1CNC(N)=[NH+]CN2C[C@H]3C[C@@H](C2)C[N@@H+](C3)C[C@@H]1O ZINC000085628147 565161184 /nfs/dbraw/zinc/16/11/84/565161184.db2.gz CRXKETATQYMLCU-BQAXFXPJSA-N 3 0 630.831 1.234 1 0 biogenic,in-vitro KDAFRP CNC(=[NH2+])NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(OC3CC[NH2+]CC3)c2)OC(C)=O)CC[C@H]1C[NH2+]C[C@H](C)O ZINC000085628164 560068705 /nfs/dbraw/zinc/06/87/05/560068705.db2.gz KVNSFYMXNIZNCT-ZKCKPKDWSA-N 3 0 591.794 1.885 1 0 biogenic,in-vitro KDAFRP CNC(=[NH2+])NC[C@H](CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O)[C@H](C)O ZINC000085628214 291705103 /nfs/dbraw/zinc/70/51/03/291705103.db2.gz UWCZSGWJTZPZEW-RBPBXQJFSA-N 2 0 508.660 1.659 1 0 biogenic,in-vitro KDAFRP CNC(=[NH2+])NC[C@H](CC[NH2+]C[C@H](C)O)CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O ZINC000085628264 291705083 /nfs/dbraw/zinc/70/50/83/291705083.db2.gz DMFMUEIPHSFHIU-OAFYVUHTSA-N 3 0 565.756 1.639 1 0 biogenic,in-vitro KDAFRP CNC(=[NH2+])NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)CC[C@H]1C[NH2+]C[C@H](C)O ZINC000085628328 560068605 /nfs/dbraw/zinc/06/86/05/560068605.db2.gz YRAKAKDFVKGAKZ-UCPGXLQPSA-N 2 0 522.687 1.763 1 0 biogenic,in-vitro KDAFRP NC(=[NH2+])NCCCCNC(=O)C(O)(O)[C@H](c1c[nH]c2cc(Br)ccc21)[C@](O)(Cc1c[nH]c2cc(Br)ccc12)C(=O)NCCCCNC(N)=[NH2+] ZINC000085759361 562753371 /nfs/dbraw/zinc/75/33/71/562753371.db2.gz WZUZGLZZNWYREM-MXBOTTGLSA-N 2 0 806.561 1.671 1 0 KDAFRP COc1cc(C=CC(=O)NCCCCNC(N)=[NH2+])cc2c1O[C@H](c1ccc(O)cc1)[C@@H]2C(=O)NCCCCNC(N)=[NH2+] ZINC000085871712 574416805 /nfs/dbraw/zinc/41/68/05/574416805.db2.gz LRLXAXGCQUOKIO-NRVRIOLJSA-N 2 0 580.690 1.390 1 0 endogenous,in-man KDAFRP NC(=[NH2+])NCCCCNC(=O)C=Cc1cc2c(c(O)c1)O[C@H](c1ccc(O)cc1)[C@@H]2C(=O)NCCCCNC(N)=[NH2+] ZINC000085871715 574416810 /nfs/dbraw/zinc/41/68/10/574416810.db2.gz FCINNGNGQHGDFW-DXAMUNNBSA-N 2 0 566.663 1.087 1 0 endogenous,in-man KDAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCN(O)CCCNC(=O)Cc1c[nH]c2cccc(O)c12 ZINC000085919753 562753458 /nfs/dbraw/zinc/75/34/58/562753458.db2.gz JLYKHRGGJINZBF-UHFFFAOYSA-N 4 0 505.708 1.292 1 0 KDAFRP NC(=[NH2+])NCCc1cc2c(O)c(c1)Cc1cc(CCNC(N)=[NH2+])cc(c1O)Cc1cc(CCNC(N)=[NH2+])cc(c1O)Cc1cc(CCNC(N)=[NH2+])cc(c1O)C2 ZINC000095535816 562753847 /nfs/dbraw/zinc/75/38/47/562753847.db2.gz KTBUHCWDAYWESY-UHFFFAOYSA-N 4 0 764.936 1.288 1 0 KDAFRP C[NH+](C)CCCNC(=O)CNC(=O)[C@@H](CCSC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCC[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000095536614 562754002 /nfs/dbraw/zinc/75/40/02/562754002.db2.gz WPTYQEZSJXXXAI-JSOSNVBQSA-N 2 0 772.970 1.068 1 0 KDAFRP C[NH+](C)CCCNC(=O)CNC(=O)[C@H](CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCC[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000095536615 562753999 /nfs/dbraw/zinc/75/39/99/562753999.db2.gz WPTYQEZSJXXXAI-CONSDPRKSA-N 2 0 772.970 1.068 1 0 KDAFRP C[NH+](C)CCCNC(=O)CNC(=O)[C@@H](CCSC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCC[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000095536616 562754000 /nfs/dbraw/zinc/75/40/00/562754000.db2.gz WPTYQEZSJXXXAI-FIRIVFDPSA-N 2 0 772.970 1.068 1 0 KDAFRP C[NH+](C)CCCNC(=O)CNC(=O)[C@H](CCSC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCC[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000095536617 562753992 /nfs/dbraw/zinc/75/39/92/562753992.db2.gz WPTYQEZSJXXXAI-IOWSJCHKSA-N 2 0 772.970 1.068 1 0 KDAFRP NC(=O)[C@@H]1C/C=C\Cc2ccc(cc2)-c2cc(Nc3ccc(C[NH3+])cc3)c3cccc(c3n2)C(=O)N[C@@H](C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N1 ZINC000095539481 562755045 /nfs/dbraw/zinc/75/50/45/562755045.db2.gz ZNAPEVZMSKLTAC-WXAHHMOXSA-N 3 0 748.889 1.364 1 0 KDAFRP NC(=O)[C@@H]1C/C=C\Cc2ccc(cc2)-c2cc(Nc3ccc(C[NH3+])cc3)c3cccc(c3n2)C(=O)N[C@@H](C[NH3+])C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N1 ZINC000095539515 562755071 /nfs/dbraw/zinc/75/50/71/562755071.db2.gz GMOOGUZVBAGMIS-LTPYHOFASA-N 3 0 748.889 1.364 1 0 KDAFRP Cn1cc(NC(=O)c2cc(NC(=O)CCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000095539933 562755377 /nfs/dbraw/zinc/75/53/77/562755377.db2.gz JSTCISJBURVDEP-UHFFFAOYSA-N 2 0 772.872 1.795 1 0 KDAFRP Cn1cc(NC(=O)c2cc(NC(=O)CCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000095539961 562755409 /nfs/dbraw/zinc/75/54/09/562755409.db2.gz IZGMEDPQWRDPRR-UHFFFAOYSA-N 2 0 758.845 1.404 1 0 KDAFRP Cn1cc(NC(=O)c2cc(NC(=O)[C@H]3CCC[C@@H]3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000095540013 562755440 /nfs/dbraw/zinc/75/54/40/562755440.db2.gz WNHSSSGYPSNYGP-DQEYMECFSA-N 2 0 784.883 1.650 1 0 KDAFRP CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(Nc4nc(N5C[C@H]([NH3+])C[C@H]([NH3+])C5)nc(N5C[C@H]([NH3+])C[C@H]([NH3+])C5)n4)cc2)cn3C2CC2)CC1 ZINC000095540018 562755457 /nfs/dbraw/zinc/75/54/57/562755457.db2.gz IWVUSDQINBCVKA-OQQNJPJOSA-N 4 0 754.920 1.528 1 0 KDAFRP Cn1cc(NC(=O)c2cc(NC(=O)[C@H]3CC[C@@H]3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000095540024 562755462 /nfs/dbraw/zinc/75/54/62/562755462.db2.gz QKZZKNLYPFFNAT-ZEQRLZLVSA-N 2 0 770.856 1.260 1 0 KDAFRP CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2o1 ZINC000095540670 562755906 /nfs/dbraw/zinc/75/59/06/562755906.db2.gz MEXFOMYEKNTZIR-DZUOILHNSA-N 3 0 776.944 1.109 1 0 KDAFRP CCCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O ZINC000095543478 562757275 /nfs/dbraw/zinc/75/72/75/562757275.db2.gz CISIOQFTZFUVDT-KMSCUOMXSA-N 2 0 756.953 1.465 1 0 KDAFRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000095544607 562757715 /nfs/dbraw/zinc/75/77/15/562757715.db2.gz VUWFJCYCOOSEGT-CPCREDONSA-N 2 0 770.929 1.478 1 0 KDAFRP Cn1cc(NC(=O)c2cc(NC(=O)CCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000095548192 562759147 /nfs/dbraw/zinc/75/91/47/562759147.db2.gz SISWHZKXYPOLPE-UHFFFAOYSA-N 2 0 744.818 1.014 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 ZINC000095552810 562760741 /nfs/dbraw/zinc/76/07/41/562760741.db2.gz PSQNWLAFDYJHCK-AWCRTANDSA-N 3 0 642.809 1.036 1 0 KDAFRP NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000095553726 562761073 /nfs/dbraw/zinc/76/10/73/562761073.db2.gz OZCKRVTUFZBKFF-DTXPUJKBSA-N 3 0 656.836 1.426 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCc1ccccc1 ZINC000095554098 562761167 /nfs/dbraw/zinc/76/11/67/562761167.db2.gz RUGYDZPVQAXRMF-DTXPUJKBSA-N 3 0 614.795 1.902 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](COCc2ccccc2)NS(=O)(=O)c2ccc(C(N)=[NH2+])cc2)cc1 ZINC000095564856 562764472 /nfs/dbraw/zinc/76/44/72/562764472.db2.gz KVBALHBWCZFQFV-QFIPXVFZSA-N 2 0 508.604 1.435 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)c2ccc(C(N)=[NH2+])cc2)cc1 ZINC000095564857 562764438 /nfs/dbraw/zinc/76/44/38/562764438.db2.gz KVBALHBWCZFQFV-JOCHJYFZSA-N 2 0 508.604 1.435 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](COCc2ccccc2)NS(=O)(=O)c2cccc(C(N)=[NH2+])c2)cc1 ZINC000095566160 562764790 /nfs/dbraw/zinc/76/47/90/562764790.db2.gz LDOZXDLBMUPMAO-QFIPXVFZSA-N 2 0 508.604 1.435 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)c2cccc(C(N)=[NH2+])c2)cc1 ZINC000095566161 562764807 /nfs/dbraw/zinc/76/48/07/562764807.db2.gz LDOZXDLBMUPMAO-JOCHJYFZSA-N 2 0 508.604 1.435 1 0 KDAFRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095583353 562772852 /nfs/dbraw/zinc/77/28/52/562772852.db2.gz ATJCRSZHSTUDOS-KRWDZBQOSA-N 2 0 544.611 1.090 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1cccc(-c2ccccc2)c1 ZINC000095586318 562773877 /nfs/dbraw/zinc/77/38/77/562773877.db2.gz AHEUZGGHZKKDIX-SVBPBHIXSA-N 3 0 580.778 1.503 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc2ccccc2c1 ZINC000095588944 562774782 /nfs/dbraw/zinc/77/47/82/562774782.db2.gz YMOCFSYHKAINCX-ZEQRLZLVSA-N 3 0 540.713 1.060 1 0 KDAFRP C[C@H](NCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCCNC(N)=[NH2+] ZINC000095589525 562775012 /nfs/dbraw/zinc/77/50/12/562775012.db2.gz JANGEUOQWPBHTC-RDPSFJRHSA-N 2 0 523.682 1.508 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)CNCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095589638 562774982 /nfs/dbraw/zinc/77/49/82/562774982.db2.gz LMJZMNOXEWZGIT-QHCPKHFHSA-N 2 0 509.655 1.119 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CCCC[NH3+])NCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095591189 562775502 /nfs/dbraw/zinc/77/55/02/562775502.db2.gz AXIXLZXHFGVHGO-SXOMAYOGSA-N 3 0 580.778 1.617 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc2ccccc21 ZINC000095591228 562775513 /nfs/dbraw/zinc/77/55/13/562775513.db2.gz LGJDQSYTKLVRNY-ZEQRLZLVSA-N 3 0 540.713 1.060 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095591682 562775713 /nfs/dbraw/zinc/77/57/13/562775713.db2.gz AXIXLZXHFGVHGO-SVBPBHIXSA-N 3 0 580.778 1.617 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095591827 562775747 /nfs/dbraw/zinc/77/57/47/562775747.db2.gz IBGNMHXKSAZSSZ-UIOOFZCWSA-N 2 0 549.720 1.994 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]cn1)NCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095592075 562775817 /nfs/dbraw/zinc/77/58/17/562775817.db2.gz SISPNQXYNPDKHK-SVBPBHIXSA-N 2 0 589.745 1.454 1 0 KDAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000095594116 562776404 /nfs/dbraw/zinc/77/64/04/562776404.db2.gz GIAUJOMDUOPYLU-XFCBJTKFSA-N 2 0 525.694 1.975 1 0 in-vitro KDAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000095595069 562776646 /nfs/dbraw/zinc/77/66/46/562776646.db2.gz YNXYDJIBNNPVNX-XFCBJTKFSA-N 2 0 519.646 1.767 1 0 KDAFRP COc1cc(CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc2ccc(O)c(OC)c2)ccc1O ZINC000095595205 562776671 /nfs/dbraw/zinc/77/66/71/562776671.db2.gz XKQYVDZNXRMQNJ-UHFFFAOYSA-N 2 0 530.666 1.872 1 0 KDAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](O)C[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1 ZINC000095596409 562776971 /nfs/dbraw/zinc/77/69/71/562776971.db2.gz UPKLMAFQDXNFGT-NHBKWFJBSA-N 2 0 577.673 1.191 1 0 KDAFRP NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CCC[NH3+])NC(=O)CCc1ccc(O)cc1 ZINC000095607619 562782924 /nfs/dbraw/zinc/78/29/24/562782924.db2.gz IMARWAOLWZOYTD-ZYADHFCISA-N 2 0 765.916 1.675 1 0 KDAFRP NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CCC[NH3+])NC(=O)/C=C/c1ccc(O)cc1 ZINC000095607629 562782907 /nfs/dbraw/zinc/78/29/07/562782907.db2.gz XTTXLWMNSDYLTN-UGFXGUEUSA-N 2 0 763.900 1.756 1 0 KDAFRP C[NH+](C)CCCNC(=O)CNC(=O)[C@H](CSCSC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCC[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000095609550 562783843 /nfs/dbraw/zinc/78/38/43/562783843.db2.gz SPHNTZKYMKGXER-QRRGNZNSSA-N 2 0 805.037 1.369 1 0 KDAFRP C[NH+](C)CCCNC(=O)CNC(=O)[C@H](CSCSC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCC[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000095609551 562783825 /nfs/dbraw/zinc/78/38/25/562783825.db2.gz SPHNTZKYMKGXER-CONSDPRKSA-N 2 0 805.037 1.369 1 0 KDAFRP C[NH+](C)CCCNC(=O)CNC(=O)[C@@H](CSCSC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCC[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000095609552 562783813 /nfs/dbraw/zinc/78/38/13/562783813.db2.gz SPHNTZKYMKGXER-FIRIVFDPSA-N 2 0 805.037 1.369 1 0 KDAFRP CCCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH2+]C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O ZINC000095610250 562784260 /nfs/dbraw/zinc/78/42/60/562784260.db2.gz JXNPRGCRKXHYPH-KFIZHRIMSA-N 2 0 770.980 1.901 1 0 KDAFRP [NH3+]CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C[NH3+])c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000096175793 562792043 /nfs/dbraw/zinc/79/20/43/562792043.db2.gz SVQSMTKNRQHMJU-NDEPHWFRSA-N 2 0 622.748 1.803 1 0 KDAFRP CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)C3C[NH2+]C3)c2)CC1 ZINC000096175794 562792037 /nfs/dbraw/zinc/79/20/37/562792037.db2.gz ZMKNTQOYJORSIU-SANMLTNESA-N 2 0 611.769 1.173 1 0 KDAFRP COCCOCCNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000096175804 562792027 /nfs/dbraw/zinc/79/20/27/562792027.db2.gz NWTYODIHUIHYFF-LJAQVGFWSA-N 2 0 687.864 1.336 1 0 KDAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H]3C[C@@H]3[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000096283229 562794812 /nfs/dbraw/zinc/79/48/12/562794812.db2.gz OGTGKCOHYGILPQ-BBAYRLSSSA-N 2 0 537.705 1.973 1 0 in-vitro KDAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@H]3C[C@H]3[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000096283230 562794808 /nfs/dbraw/zinc/79/48/08/562794808.db2.gz OGTGKCOHYGILPQ-VIYVJXCBSA-N 2 0 537.705 1.973 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)C[NH3+])cc1 ZINC000096286230 562796101 /nfs/dbraw/zinc/79/61/01/562796101.db2.gz RDHPZIVOWGKWKQ-GDLZYMKVSA-N 2 0 657.820 1.537 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)NCC[NH3+])cc1 ZINC000096286247 562796085 /nfs/dbraw/zinc/79/60/85/562796085.db2.gz ZXJXJORPOVCZNP-SSEXGKCCSA-N 2 0 686.862 1.720 1 0 KDAFRP Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)n(CCC[NH3+])c1 ZINC000096907934 562799296 /nfs/dbraw/zinc/79/92/96/562799296.db2.gz WYTAMQOELHVFPM-UHFFFAOYSA-N 2 0 539.641 1.268 1 0 KDAFRP NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc1ccccc1 ZINC000096909422 562799604 /nfs/dbraw/zinc/79/96/04/562799604.db2.gz LQJPWGKMZYVFGZ-SDHOMARFSA-N 2 0 554.692 1.237 1 0 KDAFRP CCCC[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000096915686 562801089 /nfs/dbraw/zinc/80/10/89/562801089.db2.gz CPCGRTFWMILHOU-FKWFRFQNSA-N 2 0 630.794 1.345 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(N)=O ZINC000096915711 562801061 /nfs/dbraw/zinc/80/10/61/562801061.db2.gz UINQANFHXMGRIV-KNYYLJOQSA-N 2 0 703.848 1.879 1 0 KDAFRP CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000096915712 562801045 /nfs/dbraw/zinc/80/10/45/562801045.db2.gz DRPGMZNRXLTFPX-MUFAAYGBSA-N 2 0 669.831 1.827 1 0 KDAFRP CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)[C@@H](C)CC ZINC000096916104 562801140 /nfs/dbraw/zinc/80/11/40/562801140.db2.gz LSFXXXSVVDTWPE-DAZBKPSJSA-N 2 0 596.777 1.149 1 0 KDAFRP CCCC[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])CCCC)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000096916106 562801142 /nfs/dbraw/zinc/80/11/42/562801142.db2.gz NEQQUHBDYOOHBR-SSUZURRFSA-N 2 0 596.777 1.293 1 0 KDAFRP CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000096916110 562801147 /nfs/dbraw/zinc/80/11/47/562801147.db2.gz GWPRIRXNLBBAHL-YTFADBMMSA-N 2 0 630.794 1.201 1 0 KDAFRP NC(=[NH2+])N1CCC(CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc2cccc(-c3ccccc3)c2)CC1 ZINC000096929999 562803166 /nfs/dbraw/zinc/80/31/66/562803166.db2.gz YEHLNHQNMVJBOX-VMPREFPWSA-N 3 0 606.816 1.845 1 0 KDAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O ZINC000096932014 562803281 /nfs/dbraw/zinc/80/32/81/562803281.db2.gz SGJGPYIXRJKGAL-MRUDNGBMSA-N 4 0 602.732 1.640 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCc3ccc4ccccc4c3)[C@H]2[NH3+])[C@H](O)[C@H]1OCc1ccc2ccccc2c1 ZINC000096932604 562803433 /nfs/dbraw/zinc/80/34/33/562803433.db2.gz FYZYCWYYLKQZHJ-MRUDNGBMSA-N 3 0 603.716 1.673 1 0 KDAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3cccc4ccccc43)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2cccc3ccccc32)[C@@H]1O ZINC000096932605 562803415 /nfs/dbraw/zinc/80/34/15/562803415.db2.gz HJWKBXFIQHVQEC-MRUDNGBMSA-N 4 0 602.732 1.640 1 0 KDAFRP [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCc3cccc4ccccc43)[C@H]2[NH3+])[C@H](O)[C@H]1OCc1cccc2ccccc21 ZINC000096932606 562803414 /nfs/dbraw/zinc/80/34/14/562803414.db2.gz RFEKGQOAUREDCW-MRUDNGBMSA-N 3 0 603.716 1.673 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=S)NC2=O)cc1)C(N)=O ZINC000096937970 562804401 /nfs/dbraw/zinc/80/44/01/562804401.db2.gz YLOATFZILXAHOV-MBVSDOOSSA-N 2 0 661.855 1.151 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1)C(N)=O ZINC000096938339 562804466 /nfs/dbraw/zinc/80/44/66/562804466.db2.gz GPRSICXZKYOHHU-PCILOFRHSA-N 2 0 763.926 1.193 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000096938344 562804475 /nfs/dbraw/zinc/80/44/75/562804475.db2.gz UMRKOZQUSOGWEX-MIZNEQLMSA-N 2 0 622.752 1.384 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(C=C2SC(=S)NC2=O)c1)C(N)=O ZINC000096938347 562804483 /nfs/dbraw/zinc/80/44/83/562804483.db2.gz ZVIAKTONZWYSON-MBVSDOOSSA-N 2 0 661.855 1.151 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(C=C2SC(=O)N(C3CCCC3)C2=O)c1)C(N)=O ZINC000096938348 562804481 /nfs/dbraw/zinc/80/44/81/562804481.db2.gz VFJTUPZSAKDKSX-FUOBYSCHSA-N 2 0 713.906 1.801 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(CCCC)C2=O)cc1)C(N)=O ZINC000096938506 562804520 /nfs/dbraw/zinc/80/45/20/562804520.db2.gz RKSZQXKROMDUKA-OPIGBIQLSA-N 2 0 701.895 1.659 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(C3CCCC3)C2=O)cc1)C(N)=O ZINC000096938507 562804519 /nfs/dbraw/zinc/80/45/19/562804519.db2.gz TXBNYAKYHCTHIL-FUOBYSCHSA-N 2 0 713.906 1.801 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H](NC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096941686 562805038 /nfs/dbraw/zinc/80/50/38/562805038.db2.gz GBLYOVUOLPEFOE-YDPTYEFTSA-N 2 0 684.842 1.183 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096941687 562805000 /nfs/dbraw/zinc/80/50/00/562805000.db2.gz CGVRVIAPYFDFJZ-YDPTYEFTSA-N 2 0 642.801 1.659 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H](NC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096941688 562805029 /nfs/dbraw/zinc/80/50/29/562805029.db2.gz WVMDYLRXHYHUSB-XGKFQTDJSA-N 3 0 670.859 1.657 1 0 KDAFRP CO[C@@H]1[C@H](C[NH2+]CCCCCCC[NH2+]C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000098084771 562805717 /nfs/dbraw/zinc/80/57/17/562805717.db2.gz QNVQWBYAMDMBNK-ZVCBTWSKSA-N 2 0 502.649 1.899 1 0 KDAFRP COc1cc(C=CC(=O)NCCCCNC(N)=[NH2+])cc2c1O[C@H](c1ccc(O)cc1)[C@H]2C(=O)NCCCCNC(N)=[NH2+] ZINC000100773571 571818436 /nfs/dbraw/zinc/81/84/36/571818436.db2.gz LRLXAXGCQUOKIO-RPDREFPISA-N 2 0 580.690 1.390 1 0 endogenous,in-man KDAFRP NC(=[NH2+])NCCCCNC(=O)C=Cc1cc2c(c(O)c1)O[C@H](c1ccc(O)cc1)[C@H]2C(=O)NCCCCNC(N)=[NH2+] ZINC000100773576 574418607 /nfs/dbraw/zinc/41/86/07/574418607.db2.gz FCINNGNGQHGDFW-GGRIYUQYSA-N 2 0 566.663 1.087 1 0 endogenous,in-man KDAFRP CC(C)n1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](O)CN2CCC(CNS(C)(=O)=O)CC2)c2ccccc21 ZINC000101514817 562811222 /nfs/dbraw/zinc/81/12/22/562811222.db2.gz UNKDEYXEXSLRTF-UEQSERJNSA-N 2 0 560.765 1.965 1 0 KDAFRP CC(C)n1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](O)CN2CCC(CNS(C)(=O)=O)CC2)c2ccccc21 ZINC000101514818 562811174 /nfs/dbraw/zinc/81/11/74/562811174.db2.gz UNKDEYXEXSLRTF-KIHHCIJBSA-N 2 0 560.765 1.965 1 0 KDAFRP COC(=O)c1cc(CN2CCN(C(N)=[NH2+])CC2)cc(C(=O)N2CCN(C(=O)c3ccc(C=[NH2+])cc3)CC2)c1 ZINC000103230224 562818148 /nfs/dbraw/zinc/81/81/48/562818148.db2.gz BQPWJIJLRYJROA-UHFFFAOYSA-N 2 0 519.606 1.080 1 0 KDAFRP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000103250119 562820174 /nfs/dbraw/zinc/82/01/74/562820174.db2.gz GIAUJOMDUOPYLU-ZCQCUXIGSA-N 2 0 525.694 1.975 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H]([NH2+]CC(=O)[O-])C2CCCCC2)cc1 ZINC000103258344 562821008 /nfs/dbraw/zinc/82/10/08/562821008.db2.gz JDFYXQYIXHKWQW-VWNXMTODSA-N 2 0 514.671 1.475 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H]([NH2+]CC(=O)[O-])C2CCCCC2)cc1 ZINC000103258346 562821037 /nfs/dbraw/zinc/82/10/37/562821037.db2.gz JDFYXQYIXHKWQW-UPVQGACJSA-N 2 0 514.671 1.475 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](Cc2ccc(C[NH3+])cc2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103258369 562821027 /nfs/dbraw/zinc/82/10/27/562821027.db2.gz WQCBMVXDJHPOBD-RPBOFIJWSA-N 2 0 536.677 1.786 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](Cc2ccc(C[NH3+])cc2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103258370 562821013 /nfs/dbraw/zinc/82/10/13/562821013.db2.gz WQCBMVXDJHPOBD-JWQCQUIFSA-N 2 0 536.677 1.786 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](C[C@@H]2CCC[NH2+]2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103258383 562821001 /nfs/dbraw/zinc/82/10/01/562821001.db2.gz DWOQERKVOXNSSI-BDTNDASRSA-N 2 0 500.644 1.227 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](C[C@H]2CCC[NH2+]2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103258385 562821029 /nfs/dbraw/zinc/82/10/29/562821029.db2.gz DWOQERKVOXNSSI-VSKRKVRLSA-N 2 0 500.644 1.227 1 0 KDAFRP CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[N@@H+](C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263841 562821826 /nfs/dbraw/zinc/82/18/26/562821826.db2.gz KHIGGGCCVIRUQD-ODOHIECXSA-N 2 0 524.584 1.858 1 0 KDAFRP CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[N@@H+](C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263844 562821823 /nfs/dbraw/zinc/82/18/23/562821823.db2.gz KHIGGGCCVIRUQD-RUXDYSAUSA-N 2 0 524.584 1.858 1 0 KDAFRP CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[N@@H+](C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263846 562821820 /nfs/dbraw/zinc/82/18/20/562821820.db2.gz KHIGGGCCVIRUQD-NGAPOUCOSA-N 2 0 524.584 1.858 1 0 KDAFRP CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[N@@H+](C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263849 562821831 /nfs/dbraw/zinc/82/18/31/562821831.db2.gz KHIGGGCCVIRUQD-JORZUPCSSA-N 2 0 524.584 1.858 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](C[C@@H]2CCC[NH2+]2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103271675 562822980 /nfs/dbraw/zinc/82/29/80/562822980.db2.gz DWOQERKVOXNSSI-BHDDXSALSA-N 2 0 500.644 1.227 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](C[C@H]2CCC[NH2+]2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103271678 562823031 /nfs/dbraw/zinc/82/30/31/562823031.db2.gz DWOQERKVOXNSSI-YPAWHYETSA-N 2 0 500.644 1.227 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])C2CC[NH2+]CC2)cc1 ZINC000103271680 562823038 /nfs/dbraw/zinc/82/30/38/562823038.db2.gz XYIZTXDBTWCXGG-GGAORHGYSA-N 2 0 500.644 1.084 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](CC2CC[NH2+]CC2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103271683 562823052 /nfs/dbraw/zinc/82/30/52/562823052.db2.gz LKAXVNXNVWIUAI-DHIUTWEWSA-N 2 0 514.671 1.475 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](CC2CC[NH2+]CC2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103271685 562823027 /nfs/dbraw/zinc/82/30/27/562823027.db2.gz LKAXVNXNVWIUAI-PKTZIBPZSA-N 2 0 514.671 1.475 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103271687 562823040 /nfs/dbraw/zinc/82/30/40/562823040.db2.gz QFGNPOOZZWIFBN-DNQXCXABSA-N 2 0 528.698 1.865 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103271689 562823036 /nfs/dbraw/zinc/82/30/36/562823036.db2.gz QFGNPOOZZWIFBN-BJKOFHAPSA-N 2 0 528.698 1.865 1 0 KDAFRP COc1ccc(-c2ncc(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)[nH]2)cc1 ZINC000103297967 562824734 /nfs/dbraw/zinc/82/47/34/562824734.db2.gz IPAYZRMZBUNCNE-VXKWHMMOSA-N 2 0 506.611 1.020 1 0 KDAFRP CNC(=[NH2+])N1C=C[C@@]2(C[NH2+]CCO)C=C[C@@H]3[C@](O)(CO[C@H]4CCC[C@H]([NH2+]C)C4)C(C(=O)[O-])=C4C[C@H]5CC[C@@H](C)[C@]43[C@]52C1 ZINC000103524416 560051309 /nfs/dbraw/zinc/05/13/09/560051309.db2.gz BEWDBJLQMULRBW-OOSJBGEZSA-N 2 0 583.774 1.820 1 0 biogenic,in-vitro KDAFRP CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@](O)(CO[C@H]4CCC[C@H]([NH2+]C)C4)C[C@]32[C@H](C)CC1 ZINC000103524432 560051262 /nfs/dbraw/zinc/05/12/62/560051262.db2.gz NGMLWTNUYUFBBX-FKOHPOLNSA-N 2 0 559.752 1.654 1 0 biogenic,in-vitro KDAFRP C[NH2+]CCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H]([NH2+]C)C4)C[C@]32[C@H](C)CC1 ZINC000103524456 565192689 /nfs/dbraw/zinc/19/26/89/565192689.db2.gz PXCZOIMVNAOMJM-VHHYMTGWSA-N 3 0 602.821 1.243 1 0 biogenic,in-vitro KDAFRP C[NH2+]CCNC(=[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 ZINC000103524558 291705793 /nfs/dbraw/zinc/70/57/93/291705793.db2.gz BPTCMKFLLRMFIF-RHARRANKSA-N 2 0 545.725 1.265 1 0 biogenic,in-vitro KDAFRP C[NH2+]CCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCCC[C@@H]4OC ZINC000103524649 560051300 /nfs/dbraw/zinc/05/13/00/560051300.db2.gz ZASUHLVTHGNHEY-FTWPBNMZSA-N 2 0 515.699 1.903 1 0 biogenic,in-vitro KDAFRP CCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000148586555 562841537 /nfs/dbraw/zinc/84/15/37/562841537.db2.gz MKQBXZZBVTZVKV-VWLOTQADSA-N 2 0 614.773 1.095 1 0 KDAFRP [NH3+][C@H]1C(=O)N[C@@H]1COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149155140 562842300 /nfs/dbraw/zinc/84/23/00/562842300.db2.gz XZAFVLBTLMVRHM-FADHPGOYSA-N 2 0 577.617 1.504 1 0 KDAFRP [NH3+]C[C@@H](O)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149204364 562842448 /nfs/dbraw/zinc/84/24/48/562842448.db2.gz DFTZBCABZMFRQY-QKAIUURXSA-N 2 0 552.607 1.997 1 0 KDAFRP [NH3+]C[C@H](O)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149204535 562842433 /nfs/dbraw/zinc/84/24/33/562842433.db2.gz DFTZBCABZMFRQY-WBZDIBOQSA-N 2 0 552.607 1.997 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc([C@H]3CCC(N)=[NH+]C3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000149618834 562842722 /nfs/dbraw/zinc/84/27/22/562842722.db2.gz JLKDEEFFWQESQM-UKILVPOCSA-N 3 0 553.733 1.682 1 0 KDAFRP C[NH2+]CCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@H]5[NH2+]CCC[C@@H]54)C[C@]32[C@H](C)CC1 ZINC000150342078 565200063 /nfs/dbraw/zinc/20/00/63/565200063.db2.gz FJSOXTWZQVLCQN-HEYZRBPQSA-N 3 0 628.859 1.633 1 0 biogenic,in-vitro KDAFRP CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@](O)(CO[C@@H]4CC[C@@H](CCCO)[C@H]([NH2+]C)C4)C[C@]32[C@H](C)CC1 ZINC000150342093 565200053 /nfs/dbraw/zinc/20/00/53/565200053.db2.gz QBKYDZOLFVHHQV-WDYHAHGESA-N 2 0 617.832 1.652 1 0 biogenic,in-vitro KDAFRP O=C(c1ccc[n+](Cc2ccc(C[n+]3cccc(C(=O)N4CCN(c5ncccn5)CC4)c3)cc2)c1)N1CCN(c2ncccn2)CC1 ZINC000150524797 562843730 /nfs/dbraw/zinc/84/37/30/562843730.db2.gz JSFIRYVJKRPXKZ-UHFFFAOYSA-N 2 0 642.768 1.863 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)cc1)C(N)=O ZINC000150567501 562845027 /nfs/dbraw/zinc/84/50/27/562845027.db2.gz RARUMWUWVBGJRS-GWPRTIGVSA-N 2 0 720.901 1.085 1 0 KDAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2NC(=S)N(Cc3ccccc3)C2=O)cc1)C(N)=O ZINC000150567509 562845021 /nfs/dbraw/zinc/84/50/21/562845021.db2.gz WIGXSPAUEAAHMV-KWGJCFFGSA-N 2 0 734.928 1.080 1 0 KDAFRP C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2N1C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579837 562845440 /nfs/dbraw/zinc/84/54/40/562845440.db2.gz YKRNWEMYEHTWEP-ZWFSMPORSA-N 2 0 800.889 1.395 1 0 KDAFRP C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2N1C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579841 562845446 /nfs/dbraw/zinc/84/54/46/562845446.db2.gz YKRNWEMYEHTWEP-ZLYYBZRSSA-N 2 0 800.889 1.395 1 0 KDAFRP C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2N1C[C@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579844 562845442 /nfs/dbraw/zinc/84/54/42/562845442.db2.gz YKRNWEMYEHTWEP-OPAOLJBVSA-N 2 0 800.889 1.395 1 0 KDAFRP C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2N1C[C@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579849 562845444 /nfs/dbraw/zinc/84/54/44/562845444.db2.gz YKRNWEMYEHTWEP-GYONPCJKSA-N 2 0 800.889 1.395 1 0 KDAFRP CC(=O)N[C@H](/C=C/C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](/C=C/C(=O)N[C@@H](CCCC[NH3+])C(N)=O)Cc1ccccc1)Cc1ccccc1 ZINC000150609718 562848289 /nfs/dbraw/zinc/84/82/89/562848289.db2.gz ZZMNZQHHEHGMBD-UVXIZIQKSA-N 2 0 661.848 1.287 1 0 KDAFRP CC[C@@H]([NH2+]Cc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000169294437 562852226 /nfs/dbraw/zinc/85/22/26/562852226.db2.gz HTOGBQJUJBBWIE-NHCUHLMSSA-N 3 0 501.657 1.159 1 0 KDAFRP Cc1cccc(C(C)C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000169310033 562854634 /nfs/dbraw/zinc/85/46/34/562854634.db2.gz FWBKKQMWKRKOEQ-JVVMDBNWSA-N 2 0 696.894 1.485 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000169310037 562854643 /nfs/dbraw/zinc/85/46/43/562854643.db2.gz XOKJUHKHJMOTKH-JVVMDBNWSA-N 2 0 690.846 1.206 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000169310038 562854647 /nfs/dbraw/zinc/85/46/47/562854647.db2.gz ZVUDQBLUCSEYMI-JVVMDBNWSA-N 2 0 690.846 1.206 1 0 KDAFRP NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CCC[NH3+])NC(=O)c1ccccc1N ZINC000169322805 562856886 /nfs/dbraw/zinc/85/68/86/562856886.db2.gz YGPYKNZRNRJRCX-CUPIEXAXSA-N 2 0 736.878 1.233 1 0 KDAFRP NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CCC[NH3+])NC(=O)/C=C/c1ccc(N)cc1 ZINC000169322807 562856872 /nfs/dbraw/zinc/85/68/72/562856872.db2.gz ZCXXFBXFYWWTNJ-UGFXGUEUSA-N 2 0 762.916 1.632 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000169323448 562857044 /nfs/dbraw/zinc/85/70/44/562857044.db2.gz BKEJUCCPDCRMPC-MHZLTWQESA-N 2 0 634.763 1.960 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000169323452 562857067 /nfs/dbraw/zinc/85/70/67/562857067.db2.gz VXUNFTCHIUPRIL-MHZLTWQESA-N 2 0 640.811 1.770 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(NC(=O)NCc3ccccc3)CC2)c1 ZINC000169323459 562857061 /nfs/dbraw/zinc/85/70/61/562857061.db2.gz ZMUOBGJRMXXDMR-NDEPHWFRSA-N 2 0 648.790 1.638 1 0 KDAFRP CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000169326408 562857794 /nfs/dbraw/zinc/85/77/94/562857794.db2.gz SYWUXUCYFZCDAG-QKDODKLFSA-N 2 0 606.724 1.625 1 0 KDAFRP CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c(-c2ccccc2)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000169335886 562859758 /nfs/dbraw/zinc/85/97/58/562859758.db2.gz KXAZPFQRSFEFBJ-KCHLEUMXSA-N 2 0 732.891 1.325 1 0 KDAFRP Cc1ccc(-c2nc(C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)c[nH]2)cc1 ZINC000169335890 562859752 /nfs/dbraw/zinc/85/97/52/562859752.db2.gz KEJOVPPWQJEUNE-AWCRTANDSA-N 2 0 746.918 1.633 1 0 KDAFRP COc1ccc(-c2nc(C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)c[nH]2)cc1 ZINC000169335891 562859762 /nfs/dbraw/zinc/85/97/62/562859762.db2.gz WVJDGSCKHWFDPH-AWCRTANDSA-N 2 0 762.917 1.334 1 0 KDAFRP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(C(C)(C)C)cc2)n1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000169341623 562860864 /nfs/dbraw/zinc/86/08/64/562860864.db2.gz FBUSCXCYISHMGB-SDHOMARFSA-N 2 0 713.885 1.479 1 0 KDAFRP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000169341625 562860866 /nfs/dbraw/zinc/86/08/66/562860866.db2.gz JGJMVSWHEUWPBO-KCHLEUMXSA-N 2 0 733.875 1.849 1 0 KDAFRP CC(C)(C)c1ccc(-c2nc(C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)c[nH]2)cc1 ZINC000169341644 562860904 /nfs/dbraw/zinc/86/09/04/562860904.db2.gz HYDDSNKYFQOEGN-KCHLEUMXSA-N 3 0 688.882 1.057 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000169341647 562860920 /nfs/dbraw/zinc/86/09/20/562860920.db2.gz MOZFXUOIIQPODM-CHQNGUEUSA-N 3 0 708.872 1.426 1 0 KDAFRP COc1c(Br)cc(/C=C/C(=O)NCC[NH2+]CCNCCNCC[NH3+])cc1Br ZINC000169346611 562861828 /nfs/dbraw/zinc/86/18/28/562861828.db2.gz LMDFKPFYIWIFKK-NSCUHMNNSA-N 2 0 507.271 1.077 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1)C(N)=O ZINC000169350653 562862849 /nfs/dbraw/zinc/86/28/49/562862849.db2.gz WGPYAUIDGHZNCV-BHBSRLOASA-N 2 0 664.771 1.732 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000169352433 562863077 /nfs/dbraw/zinc/86/30/77/562863077.db2.gz BDJLRCPUTKIXIC-LBFSXKFDSA-N 3 0 736.878 1.432 1 0 KDAFRP C[C@H](CO)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])C[C@@H]1C ZINC000169354476 562863662 /nfs/dbraw/zinc/86/36/62/562863662.db2.gz RONXLXXIACZMJU-IEGUWTFLSA-N 2 0 551.519 1.972 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)C(O)(O)[C@@H](c1c[nH]c2cc(Br)ccc21)[C@@](O)(Cc1c[nH]c2cc(Br)ccc12)C(=O)NCCCCNC(N)=[NH2+] ZINC000169357817 562863954 /nfs/dbraw/zinc/86/39/54/562863954.db2.gz WZUZGLZZNWYREM-HVNZXBJASA-N 2 0 806.561 1.671 1 0 KDAFRP NC(=O)c1ccc2c3c1O[C@H]1[C@@H]4[NH2+][C@H]5[C@H](C[C@@]6(O)[C@H]7Cc8ccc(C(N)=O)c9c8[C@@]6(CC[N@H+]7CC6CC6)[C@H]5O9)[C@@H]4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314 ZINC000169357995 562863965 /nfs/dbraw/zinc/86/39/65/562863965.db2.gz JVDIYRCPKNTHHT-MAQAQWBJSA-N 3 0 719.883 1.505 1 0 KDAFRP [NH3+][C@@]1(C2=NC(=O)[C@@]3(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[NH+]5CC4CC4)[C@H]3O7)N2)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000169369291 562864658 /nfs/dbraw/zinc/86/46/58/562864658.db2.gz QJMWONLUUGZNIQ-UCIDPRHPSA-N 3 0 735.882 1.891 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000198662931 562872825 /nfs/dbraw/zinc/87/28/25/562872825.db2.gz DXGZDORACWBTJS-XZWHSSHBSA-N 2 0 649.818 1.606 1 0 KDAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000198671381 562872808 /nfs/dbraw/zinc/87/28/08/562872808.db2.gz BVZHCUOVJATBQP-IOWSJCHKSA-N 2 0 663.845 1.996 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000221733342 562879200 /nfs/dbraw/zinc/87/92/00/562879200.db2.gz UVZLGBDUWHDGRU-LQWITFIISA-N 3 0 805.981 1.196 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000221733402 562879202 /nfs/dbraw/zinc/87/92/02/562879202.db2.gz UVZLGBDUWHDGRU-QJSJSUAPSA-N 3 0 805.981 1.196 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000221733459 562879198 /nfs/dbraw/zinc/87/91/98/562879198.db2.gz UVZLGBDUWHDGRU-ILOBPARPSA-N 3 0 805.981 1.196 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000221733511 562879214 /nfs/dbraw/zinc/87/92/14/562879214.db2.gz UVZLGBDUWHDGRU-LTBFCVEOSA-N 3 0 805.981 1.196 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000221734162 562879208 /nfs/dbraw/zinc/87/92/08/562879208.db2.gz HAHCEWMLKPAGJT-DUKNTCSXSA-N 3 0 803.969 1.388 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000221734222 562879205 /nfs/dbraw/zinc/87/92/05/562879205.db2.gz HAHCEWMLKPAGJT-NWSLEIMJSA-N 3 0 803.969 1.388 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000221734274 562879196 /nfs/dbraw/zinc/87/91/96/562879196.db2.gz HAHCEWMLKPAGJT-NQWZVMTJSA-N 3 0 803.969 1.388 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000221734338 562879210 /nfs/dbraw/zinc/87/92/10/562879210.db2.gz HAHCEWMLKPAGJT-BDZRMBOTSA-N 3 0 803.969 1.388 1 0 KDAFRP [NH3+][C@@H]1C(=O)NC[C@H]1Oc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000221898721 562879355 /nfs/dbraw/zinc/87/93/55/562879355.db2.gz KESCQHRERZJXIQ-IKVKQZFLSA-N 2 0 577.617 1.504 1 0 KDAFRP NC(=[NH2+])NCCCCNC(=O)C=Cc1cc2c(c(O)c1)O[C@@H](c1ccc(O)cc1)[C@@H]2C(=O)NCCCCNC(N)=[NH2+] ZINC000230067902 571852615 /nfs/dbraw/zinc/85/26/15/571852615.db2.gz FCINNGNGQHGDFW-WZGCRHMGSA-N 2 0 566.663 1.087 1 0 endogenous,in-man KDAFRP NC(=[NH2+])N1CCC(CC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CC5CCN(C(N)=[NH2+])CC5)CC4)CCC3)CC2)CC1 ZINC000253633757 562882098 /nfs/dbraw/zinc/88/20/98/562882098.db2.gz ILGKFMNQEJFIGC-HNRBIFIRSA-N 2 0 702.902 1.631 1 0 KDAFRP O=C(NCc1cn(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)nn1)c1cccc(C(=O)NCc2cn(-c3ccc(NC(=O)[C@@H]4CCC[NH2+]4)cc3)nn2)n1 ZINC000299827357 562884146 /nfs/dbraw/zinc/88/41/46/562884146.db2.gz ZFPODDZWXJCHIY-VMPREFPWSA-N 2 0 703.768 1.484 1 0 KDAFRP NC(=[NH2+])NCCC[C@H]1CS[C@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=[NH2+])N2C1=O ZINC000299828123 562884326 /nfs/dbraw/zinc/88/43/26/562884326.db2.gz HGYUYJQQLQGKKL-VABKMULXSA-N 2 0 538.722 1.637 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H]1CS[C@@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=[NH2+])N2C1=O ZINC000299828125 562884357 /nfs/dbraw/zinc/88/43/57/562884357.db2.gz HGYUYJQQLQGKKL-XPWALMASSA-N 2 0 538.722 1.637 1 0 KDAFRP NC(=[NH2+])N[C@H]1CC[C@H](CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000299836981 562887370 /nfs/dbraw/zinc/88/73/70/562887370.db2.gz OWKCLMWSCHVRNJ-BTDFZRAWSA-N 3 0 613.635 1.922 1 0 KDAFRP CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000299840123 562888429 /nfs/dbraw/zinc/88/84/29/562888429.db2.gz UNOVDKDICJRWRT-LJWNLINESA-N 2 0 710.906 1.447 1 0 KDAFRP NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000299854721 562891480 /nfs/dbraw/zinc/89/14/80/562891480.db2.gz BDJLRCPUTKIXIC-KXSUPTTBSA-N 3 0 736.878 1.432 1 0 KDAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000299854726 562891454 /nfs/dbraw/zinc/89/14/54/562891454.db2.gz BDJLRCPUTKIXIC-OTPQIFFISA-N 3 0 736.878 1.432 1 0 KDAFRP NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000299854730 562891475 /nfs/dbraw/zinc/89/14/75/562891475.db2.gz BDJLRCPUTKIXIC-YLHFFGLLSA-N 3 0 736.878 1.432 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(C)Cc2ccccc2)C1=O ZINC000299858606 562892510 /nfs/dbraw/zinc/89/25/10/562892510.db2.gz DXDAOPRJHIBOSF-QAXCHELISA-N 2 0 684.842 1.355 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O ZINC000299862451 562893565 /nfs/dbraw/zinc/89/35/65/562893565.db2.gz JREBGRHWCUPUKA-DSPMFFIESA-N 2 0 698.869 1.745 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1ccccc1 ZINC000299865911 562894543 /nfs/dbraw/zinc/89/45/43/562894543.db2.gz OHVOJDRKZAWKAU-CPCREDONSA-N 2 0 686.858 1.471 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1ccccc1 ZINC000299865912 562894534 /nfs/dbraw/zinc/89/45/34/562894534.db2.gz OHVOJDRKZAWKAU-DCMFLLSESA-N 2 0 686.858 1.471 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1ccccc1 ZINC000299865913 562894569 /nfs/dbraw/zinc/89/45/69/562894569.db2.gz OHVOJDRKZAWKAU-OWHBQTKESA-N 2 0 686.858 1.471 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1ccccc1 ZINC000299865914 562894552 /nfs/dbraw/zinc/89/45/52/562894552.db2.gz OHVOJDRKZAWKAU-QAXCHELISA-N 2 0 686.858 1.471 1 0 KDAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O ZINC000299869166 562895290 /nfs/dbraw/zinc/89/52/90/562895290.db2.gz UCCJAMQRFDRLBW-YPKYBTACSA-N 2 0 670.815 1.013 1 0 KDAFRP CC(C)N1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O ZINC000473098277 562898004 /nfs/dbraw/zinc/89/80/04/562898004.db2.gz FPYNLSXWEQQCNP-WFBSTBSTSA-N 2 0 707.858 1.450 1 0 KDAFRP CC[C@H](C)N1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O ZINC000473108543 562898402 /nfs/dbraw/zinc/89/84/02/562898402.db2.gz NCKMWQPTLMBZCQ-OLJJSPGYSA-N 2 0 721.885 1.840 1 0 KDAFRP CC[C@@H](C)N1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O ZINC000473108544 562898431 /nfs/dbraw/zinc/89/84/31/562898431.db2.gz NCKMWQPTLMBZCQ-YAZILINBSA-N 2 0 721.885 1.840 1 0 KDAFRP CC(C)CN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O ZINC000473110514 562898541 /nfs/dbraw/zinc/89/85/41/562898541.db2.gz WLVPPXUZMMTGPG-QEHZJEOTSA-N 2 0 721.885 1.697 1 0 KDAFRP NC(=[NH2+])Nc1cccc([C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)c1 ZINC000473146819 562901375 /nfs/dbraw/zinc/90/13/75/562901375.db2.gz DLPBPTACJLWOAH-SDHOMARFSA-N 2 0 572.670 1.420 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000473148653 562901480 /nfs/dbraw/zinc/90/14/80/562901480.db2.gz GQAZSCPNOSZJHF-FKBYEOEOSA-N 2 0 606.650 1.024 1 0 KDAFRP NC(=[NH2+])c1ccc(C[C@H](NC(=O)CCc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000473151220 562901624 /nfs/dbraw/zinc/90/16/24/562901624.db2.gz OHXKVPNWGHPOFV-YCVJPRETSA-N 2 0 599.736 1.587 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NC(=O)CCc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)c1 ZINC000473151563 562901666 /nfs/dbraw/zinc/90/16/66/562901666.db2.gz QKEFKWHTFPMDGY-YCVJPRETSA-N 2 0 599.736 1.587 1 0 KDAFRP NC(=[NH2+])Nc1ccc(C[C@H](NC(=O)CCc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000473153058 562901902 /nfs/dbraw/zinc/90/19/02/562901902.db2.gz XTBVFMBDSSTZDQ-YCVJPRETSA-N 2 0 614.751 1.609 1 0 KDAFRP NC(=[NH2+])c1ccc([C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000473153349 562901969 /nfs/dbraw/zinc/90/19/69/562901969.db2.gz ARXWNIFZZWNXKI-SDHOMARFSA-N 2 0 557.655 1.398 1 0 KDAFRP NC(=[NH2+])c1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)c1 ZINC000473153362 562901980 /nfs/dbraw/zinc/90/19/80/562901980.db2.gz BBAFTNTUTVCFAU-GSDHBNRESA-N 2 0 571.682 1.268 1 0 KDAFRP NC(=[NH2+])c1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000473153957 562902030 /nfs/dbraw/zinc/90/20/30/562902030.db2.gz DKUFAIVZQBRZHT-GSDHBNRESA-N 2 0 571.682 1.268 1 0 KDAFRP NC(=[NH2+])Nc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)c1 ZINC000473160600 562902778 /nfs/dbraw/zinc/90/27/78/562902778.db2.gz YOGVCPCMTFZHRO-GSDHBNRESA-N 2 0 586.697 1.290 1 0 KDAFRP NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cccc(C[NH3+])c1)NC(=O)c1ccccc1)c1ccccc1 ZINC000473160722 562902805 /nfs/dbraw/zinc/90/28/05/562902805.db2.gz ZFZFTGVZJZTOTD-QKDODKLFSA-N 2 0 558.683 1.443 1 0 KDAFRP NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(C[NH3+])cc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000473160983 562902787 /nfs/dbraw/zinc/90/27/87/562902787.db2.gz ZNKMQXPRSHHXBQ-QKDODKLFSA-N 2 0 558.683 1.443 1 0 KDAFRP NC(=[NH2+])Nc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000473160989 562902792 /nfs/dbraw/zinc/90/27/92/562902792.db2.gz ZNLQYRKJSVKYPF-GSDHBNRESA-N 2 0 586.697 1.290 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(CC3CCC3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000474605821 562905302 /nfs/dbraw/zinc/90/53/02/562905302.db2.gz GFCXLKZMBUAOQF-VQPDGAQSSA-N 2 0 733.896 1.841 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=C2SC(=O)N(C3CCC3)C2=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000474606209 562905358 /nfs/dbraw/zinc/90/53/58/562905358.db2.gz HSIKTISYKRBLGW-LTYLLROCSA-N 2 0 719.869 1.594 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653779646 562912057 /nfs/dbraw/zinc/91/20/57/562912057.db2.gz GZMKBLBPWJXQTQ-OHSXHVKISA-N 2 0 650.806 1.645 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1scc2c1OCCO2)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653779682 562912064 /nfs/dbraw/zinc/91/20/64/562912064.db2.gz IWYQELXFLIYYEX-OHSXHVKISA-N 2 0 708.842 1.417 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccsc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653779694 562912088 /nfs/dbraw/zinc/91/20/88/562912088.db2.gz KKJLWBYTJPSSLR-GMQQYTKMSA-N 2 0 650.806 1.645 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1nccs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653779713 562912091 /nfs/dbraw/zinc/91/20/91/562912091.db2.gz QFKQHFWRPNYALX-CCDWMCETSA-N 2 0 651.794 1.040 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cscn1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653779743 562912097 /nfs/dbraw/zinc/91/20/97/562912097.db2.gz XTDSJJMAUZRNGA-KYPHJKQUSA-N 2 0 651.794 1.040 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000653780848 562912161 /nfs/dbraw/zinc/91/21/61/562912161.db2.gz XWMBRPKTMBWFAR-YTCPBCGMSA-N 2 0 662.767 1.723 1 0 KDAFRP COc1cccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3nccs3)C(N)=O)cc2)c1 ZINC000653785036 562912347 /nfs/dbraw/zinc/91/23/47/562912347.db2.gz YRVYGSNRSYLLEW-KKUQBAQOSA-N 2 0 681.820 1.049 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000653786720 562912433 /nfs/dbraw/zinc/91/24/33/562912433.db2.gz VNJCKRKWUNWZFU-OHSXHVKISA-N 2 0 668.796 1.784 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cncs1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653790077 562912534 /nfs/dbraw/zinc/91/25/34/562912534.db2.gz DFVRYGLRYIUMJA-KYPHJKQUSA-N 2 0 651.794 1.040 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653790124 562912546 /nfs/dbraw/zinc/91/25/46/562912546.db2.gz IEAHQJNUSVKPIN-HZFUHODCSA-N 2 0 636.798 1.460 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653790171 562912540 /nfs/dbraw/zinc/91/25/40/562912540.db2.gz KUGNJPAOLPHKNT-YTCPBCGMSA-N 2 0 650.825 1.850 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)C1CCC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653792975 562912772 /nfs/dbraw/zinc/91/27/72/562912772.db2.gz JHHWHZCZOIZTSA-GMQQYTKMSA-N 2 0 622.771 1.070 1 0 KDAFRP COc1cccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3ccccc3)C(N)=O)cc2)c1 ZINC000653793028 562912766 /nfs/dbraw/zinc/91/27/66/562912766.db2.gz XVXIFQHJDONHIK-OIFRRMEBSA-N 2 0 674.803 1.592 1 0 KDAFRP COc1cccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3cccs3)C(N)=O)cc2)c1 ZINC000653793029 562912783 /nfs/dbraw/zinc/91/27/83/562912783.db2.gz YIQCZVWCJQWDAB-UNCTUWKVSA-N 2 0 680.832 1.654 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653793985 562912871 /nfs/dbraw/zinc/91/28/71/562912871.db2.gz WLQBYOZFGUKORA-MPFGFTFXSA-N 2 0 644.777 1.584 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653793986 562912868 /nfs/dbraw/zinc/91/28/68/562912868.db2.gz WLQBYOZFGUKORA-YTCPBCGMSA-N 2 0 644.777 1.584 1 0 KDAFRP Cc1cccc(COc2ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c3ccccc3)C(N)=O)cc2)c1 ZINC000653794132 562912898 /nfs/dbraw/zinc/91/28/98/562912898.db2.gz WUFISUJQUCBEIH-OIFRRMEBSA-N 2 0 658.804 1.892 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653795228 562912994 /nfs/dbraw/zinc/91/29/94/562912994.db2.gz FLXFSPULOCUSJF-YTCPBCGMSA-N 2 0 662.767 1.723 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653795248 562913014 /nfs/dbraw/zinc/91/30/14/562913014.db2.gz KPFXIFMMHLAMKU-YTCPBCGMSA-N 2 0 662.767 1.723 1 0 KDAFRP Cc1ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c2ccc(OCc3ccccc3)cc2)s1 ZINC000653795311 562913016 /nfs/dbraw/zinc/91/30/16/562913016.db2.gz YWWDMHYJRGBCRJ-UNCTUWKVSA-N 2 0 664.833 1.954 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653795341 562913033 /nfs/dbraw/zinc/91/30/33/562913033.db2.gz HFILJVMGCLLRPV-NLDZOOGBSA-N 2 0 644.777 1.584 1 0 KDAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653795386 562913052 /nfs/dbraw/zinc/91/30/52/562913052.db2.gz WLQBYOZFGUKORA-NLDZOOGBSA-N 2 0 644.777 1.584 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653796380 562913125 /nfs/dbraw/zinc/91/31/25/562913125.db2.gz FCMPNOJMZXADJR-YTCPBCGMSA-N 2 0 662.767 1.723 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)C=Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653796397 562913128 /nfs/dbraw/zinc/91/31/28/562913128.db2.gz IVNZNGUXVFBSRE-GZKLGXJLSA-N 2 0 670.815 1.983 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(C=O)c1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653796398 562913138 /nfs/dbraw/zinc/91/31/38/562913138.db2.gz JDHDGAKGUUYYLR-OIFRRMEBSA-N 2 0 672.787 1.396 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(C=O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653796399 562913137 /nfs/dbraw/zinc/91/31/37/562913137.db2.gz JDIIDVISJRUXAR-OIFRRMEBSA-N 2 0 672.787 1.396 1 0 KDAFRP CC(=O)c1ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000653796439 562913124 /nfs/dbraw/zinc/91/31/24/562913124.db2.gz VJBCCOSLCUFPHO-RWSKJCERSA-N 2 0 686.814 1.786 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653796448 562913151 /nfs/dbraw/zinc/91/31/51/562913151.db2.gz XQKMIMGNLZGPMO-LHHUKBANSA-N 2 0 672.831 1.903 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653799922 562913361 /nfs/dbraw/zinc/91/33/61/562913361.db2.gz HFLNHJBNKKQLFP-OHSXHVKISA-N 2 0 634.738 1.177 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCC(=O)c2ccccc2)cc1 ZINC000653799965 562913363 /nfs/dbraw/zinc/91/33/63/562913363.db2.gz NBFISOYBQOHDBG-TWLDFKIOSA-N 2 0 672.787 1.267 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653812616 562913868 /nfs/dbraw/zinc/91/38/68/562913868.db2.gz HFILJVMGCLLRPV-AWCRTANDSA-N 2 0 644.777 1.584 1 0 KDAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 ZINC000653812617 562913884 /nfs/dbraw/zinc/91/38/84/562913884.db2.gz HFILJVMGCLLRPV-YTCPBCGMSA-N 2 0 644.777 1.584 1 0 KDAFRP Cn1cnc2nc(=O)n(-c3[nH]c(N)[nH+]c3[C@H]3[C@H](c4c[nH]c(N)[nH+]4)[C@@H](CNC([O-])=C4C=C(Br)C=[NH+]4)[C@@H]3CNC([O-])=C3C=C(Br)C=[NH+]3)c-2c1N ZINC000653847677 562915275 /nfs/dbraw/zinc/91/52/75/562915275.db2.gz XNGAYFDKVLUSKZ-DSIZOQBWSA-O 2 0 784.458 1.156 1 0 KDAFRP Nc1[nH]c([C@H]2[C@H](c3c[nH+]c(N)[nH]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H]2CNC(=O)c2ccc[nH]2)c[nH+]1 ZINC000653848760 562915375 /nfs/dbraw/zinc/91/53/75/562915375.db2.gz OHXDZYOSEDUXGN-BMEPFDOTSA-N 2 0 541.414 1.689 1 0 KDAFRP CC[C@H](NC(=O)[C@H](C)[NH2+]C)C(=O)N1C[C@@H](O)C[C@H]1Cc1c2ccc(F)cc2[nH]c1[C@@]1(C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)[NH2+]C)Nc2cc(F)ccc2C1=O ZINC000653857036 562915775 /nfs/dbraw/zinc/91/57/75/562915775.db2.gz RKKCLRAXBUQGIN-KNMSKNCKSA-N 2 0 822.955 1.811 1 0 KDAFRP CC[C@H](NC(=O)[C@H](C)[NH2+]C)C(=O)N1C[C@@H](O)C[C@H]1Cc1c2ccc(F)cc2[nH]c1C1=Nc2cc(F)ccc2[C@]1(O)C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)[NH2+]C ZINC000653857038 562915797 /nfs/dbraw/zinc/91/57/97/562915797.db2.gz RSBAQYZFZZHMIH-KNMSKNCKSA-N 2 0 822.955 1.630 1 0 KDAFRP CC[N@@H+]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)[C@@H](C)C1 ZINC000653858617 562915851 /nfs/dbraw/zinc/91/58/51/562915851.db2.gz KUWYRRSXPGXTAI-DFZCOPKLSA-N 2 0 697.951 1.770 1 0 KDAFRP CC[N@@H+]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)[C@@H](C)C1 ZINC000653858618 562915872 /nfs/dbraw/zinc/91/58/72/562915872.db2.gz KUWYRRSXPGXTAI-DNEFNOKRSA-N 2 0 697.951 1.770 1 0 KDAFRP CC[N@@H+]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)[C@@H](C)C1 ZINC000653858619 562915838 /nfs/dbraw/zinc/91/58/38/562915838.db2.gz KUWYRRSXPGXTAI-NDMKBUGQSA-N 2 0 697.951 1.770 1 0 KDAFRP CC[N@@H+]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)[C@@H](C)C1 ZINC000653858620 562915863 /nfs/dbraw/zinc/91/58/63/562915863.db2.gz KUWYRRSXPGXTAI-XPSCAIQQSA-N 2 0 697.951 1.770 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000653858669 562915868 /nfs/dbraw/zinc/91/58/68/562915868.db2.gz QDHMBXKWFOTNLY-NSGJQZOKSA-N 2 0 664.852 1.655 1 0 KDAFRP CC(C)C[C@H](CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000653858676 562915848 /nfs/dbraw/zinc/91/58/48/562915848.db2.gz QDHMBXKWFOTNLY-POLDFPFKSA-N 2 0 664.852 1.655 1 0 KDAFRP CCOc1cc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)CC(C)C)ccc1CN1CC[NH2+]CC1 ZINC000653863998 562916107 /nfs/dbraw/zinc/91/61/07/562916107.db2.gz ASISNHBONPBCOR-AYQJTBPPSA-N 2 0 707.921 1.328 1 0 KDAFRP CCOc1cc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)CC(C)C)ccc1CN1CC[NH2+]CC1 ZINC000653863999 562916141 /nfs/dbraw/zinc/91/61/41/562916141.db2.gz ASISNHBONPBCOR-CHQNGUEUSA-N 2 0 707.921 1.328 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN2CC[NH2+]C[C@H]2C)cc1 ZINC000653864046 562916138 /nfs/dbraw/zinc/91/61/38/562916138.db2.gz MCZSYPRMLIHFTF-CNKGAEGWSA-N 2 0 677.895 1.318 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000653864047 562916142 /nfs/dbraw/zinc/91/61/42/562916142.db2.gz MCZSYPRMLIHFTF-OVOJMXFRSA-N 2 0 677.895 1.318 1 0 KDAFRP CC(C)C[C@H](CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000653864048 562916109 /nfs/dbraw/zinc/91/61/09/562916109.db2.gz MCZSYPRMLIHFTF-YMULXSAJSA-N 2 0 677.895 1.318 1 0 KDAFRP CC(C)C[C@H](CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN2CC[NH2+]C[C@H]2C)cc1 ZINC000653864049 562916122 /nfs/dbraw/zinc/91/61/22/562916122.db2.gz MCZSYPRMLIHFTF-YYLNTOIZSA-N 2 0 677.895 1.318 1 0 KDAFRP 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 ZINC000653866634 562916238 /nfs/dbraw/zinc/91/62/38/562916238.db2.gz PWLGWEMDKJZRBW-YTCPBCGMSA-N 2 0 683.924 1.381 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000653870710 562916386 /nfs/dbraw/zinc/91/63/86/562916386.db2.gz ITWYQGFOJBTGHP-HZFUHODCSA-N 2 0 669.897 1.085 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000653870711 562916393 /nfs/dbraw/zinc/91/63/93/562916393.db2.gz ITWYQGFOJBTGHP-KCHLEUMXSA-N 2 0 669.897 1.085 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000653870712 562916365 /nfs/dbraw/zinc/91/63/65/562916365.db2.gz ITWYQGFOJBTGHP-OZNIXHKMSA-N 2 0 669.897 1.085 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000653870713 562916381 /nfs/dbraw/zinc/91/63/81/562916381.db2.gz ITWYQGFOJBTGHP-PKTNWEFCSA-N 2 0 669.897 1.085 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000653873779 562916534 /nfs/dbraw/zinc/91/65/34/562916534.db2.gz HUNNYECWHMENPS-FGUUHEIUSA-N 2 0 683.924 1.427 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000653873780 562916559 /nfs/dbraw/zinc/91/65/59/562916559.db2.gz HUNNYECWHMENPS-PIZZNKLWSA-N 2 0 683.924 1.427 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000653873781 562916531 /nfs/dbraw/zinc/91/65/31/562916531.db2.gz HUNNYECWHMENPS-XNFLFYSQSA-N 2 0 683.924 1.427 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000653873782 562916539 /nfs/dbraw/zinc/91/65/39/562916539.db2.gz HUNNYECWHMENPS-ZXRKZBAXSA-N 2 0 683.924 1.427 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000653876532 562916637 /nfs/dbraw/zinc/91/66/37/562916637.db2.gz BCIGLCKWKIPDLT-HZFUHODCSA-N 2 0 654.882 1.786 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000653876535 562916614 /nfs/dbraw/zinc/91/66/14/562916614.db2.gz BCIGLCKWKIPDLT-KCHLEUMXSA-N 2 0 654.882 1.786 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000653876536 562916625 /nfs/dbraw/zinc/91/66/25/562916625.db2.gz BCIGLCKWKIPDLT-OZNIXHKMSA-N 2 0 654.882 1.786 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000653876537 562916639 /nfs/dbraw/zinc/91/66/39/562916639.db2.gz BCIGLCKWKIPDLT-PKTNWEFCSA-N 2 0 654.882 1.786 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(OC2CC[NH2+]CC2)cc(OC2CC[NH2+]CC2)c1 ZINC000653882867 562916869 /nfs/dbraw/zinc/91/68/69/562916869.db2.gz NPTRZQAOMHZECR-GWTOPCPNSA-N 3 0 755.987 1.505 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(OC2CC[NH2+]CC2)cc(OC2CC[NH2+]CC2)c1 ZINC000653882868 562916876 /nfs/dbraw/zinc/91/68/76/562916876.db2.gz NPTRZQAOMHZECR-MALMBIFMSA-N 3 0 755.987 1.505 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(OC2CC[NH2+]CC2)cc(OC2CC[NH2+]CC2)c1 ZINC000653882869 562916858 /nfs/dbraw/zinc/91/68/58/562916858.db2.gz NPTRZQAOMHZECR-WHODAWOQSA-N 3 0 755.987 1.505 1 0 KDAFRP CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(OC2CC[NH2+]CC2)cc(OC2CC[NH2+]CC2)c1 ZINC000653882870 562916867 /nfs/dbraw/zinc/91/68/67/562916867.db2.gz NPTRZQAOMHZECR-XBZWSRNISA-N 3 0 755.987 1.505 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000653882888 562916917 /nfs/dbraw/zinc/91/69/17/562916917.db2.gz SKXKXLCLBGQWQM-GIFPIDKJSA-N 2 0 683.924 1.427 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000653882889 562916896 /nfs/dbraw/zinc/91/68/96/562916896.db2.gz SKXKXLCLBGQWQM-GKQHHHCTSA-N 2 0 683.924 1.427 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000653882890 562916889 /nfs/dbraw/zinc/91/68/89/562916889.db2.gz SKXKXLCLBGQWQM-OVHUPFAXSA-N 2 0 683.924 1.427 1 0 KDAFRP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000653882891 562916911 /nfs/dbraw/zinc/91/69/11/562916911.db2.gz SKXKXLCLBGQWQM-VVZGZWEYSA-N 2 0 683.924 1.427 1 0 KDAFRP CC[C@H](NC(=O)[C@H](C)[NH2+]C)C(=O)N1C[C@@H](O)C[C@H]1Cc1c2ccc(F)cc2[nH]c1[C@]1(C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)[NH2+]C)Nc2cc(F)ccc2C1=O ZINC000653894823 562917298 /nfs/dbraw/zinc/91/72/98/562917298.db2.gz RKKCLRAXBUQGIN-RXBZURDRSA-N 2 0 822.955 1.811 1 0 KDAFRP CC[C@H](NC(=O)[C@H](C)[NH2+]C)C(=O)N1C[C@@H](O)C[C@H]1Cc1c2ccc(F)cc2[nH]c1C1=Nc2cc(F)ccc2[C@@]1(O)C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)[NH2+]C ZINC000653912901 562917733 /nfs/dbraw/zinc/91/77/33/562917733.db2.gz RSBAQYZFZZHMIH-RXBZURDRSA-N 2 0 822.955 1.630 1 0 KDAFRP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000061959247 562704318 /nfs/dbraw/zinc/70/43/18/562704318.db2.gz BUGICZNHELBACW-IRXDYDNUSA-N 2 0 524.663 1.548 3 0 KDAFRP COC(=O)[C@H](CCCC[NH3+])n1cc(-c2cc(C(=O)N3CC[NH2+]CC3)cc(-c3cn([C@@H](Cc4ccc(O)cc4)C(=O)OC)nn3)c2)nn1 ZINC000072119041 562723738 /nfs/dbraw/zinc/72/37/38/562723738.db2.gz QERNVHYKKUDOBS-VMPREFPWSA-N 2 0 645.721 1.755 3 0 KDAFRP