smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@@H]1CS[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[NH2+]1 ZINC000013643273 561722337 /nfs/dbraw/zinc/72/23/37/561722337.db2.gz BVYKBUHRHISHAP-QXNYZMARSA-N 2 2 511.648 0.497 1 0 KCAFLP NC(=O)[C@@H]1CS[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[NH2+]1 ZINC000013643276 561722314 /nfs/dbraw/zinc/72/23/14/561722314.db2.gz BVYKBUHRHISHAP-XHVFSLISSA-N 2 2 511.648 0.497 1 0 KCAFLP NC(=O)[C@@H]1CS[C@H]([C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[NH2+]1 ZINC000013643278 561722281 /nfs/dbraw/zinc/72/22/81/561722281.db2.gz BVYKBUHRHISHAP-NPKKMJAZSA-N 2 2 511.648 0.497 1 0 KCAFLP NC(=O)[C@@H]1CS[C@@H]([C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[NH2+]1 ZINC000013643280 561722320 /nfs/dbraw/zinc/72/23/20/561722320.db2.gz BVYKBUHRHISHAP-AXCBGKTRSA-N 2 2 511.648 0.497 1 0 KCAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NCCNC(=O)[C@@H]2[NH2+]CSC2(C)C)C(C)(C)S1 ZINC000014943087 561740716 /nfs/dbraw/zinc/74/07/16/561740716.db2.gz APXHKVJRHHJRLS-KCOOYEKVSA-N 2 2 564.778 0.333 1 0 KCAFLP C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1=O ZINC000026262012 561775593 /nfs/dbraw/zinc/77/55/93/561775593.db2.gz SOLGEXWMHBGXCY-SZOBAZRNSA-N 2 2 509.607 0.361 1 0 KCAFLP CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1=O ZINC000026270220 561777147 /nfs/dbraw/zinc/77/71/47/561777147.db2.gz ATWURJJJKREKHL-OJJQZRKESA-N 2 2 537.661 0.997 1 0 KCAFLP CCCC[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O ZINC000026483987 561792178 /nfs/dbraw/zinc/79/21/78/561792178.db2.gz VIWCHCNVHJHERJ-IHZBLBIESA-N 3 2 714.872 0.472 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000026578887 561803923 /nfs/dbraw/zinc/80/39/23/561803923.db2.gz PEOUPURBSIPXLE-KRCBVYEFSA-N 2 2 711.828 0.017 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000026578887 561803922 /nfs/dbraw/zinc/80/39/22/561803922.db2.gz PEOUPURBSIPXLE-KRCBVYEFSA-N 2 2 711.828 0.017 1 0 KCAFLP CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026817460 561820467 /nfs/dbraw/zinc/82/04/67/561820467.db2.gz JOVGJHOXVOWVBL-YCXOGWGTSA-N 2 2 571.723 0.305 1 0 KCAFLP CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026817465 561820526 /nfs/dbraw/zinc/82/05/26/561820526.db2.gz JOVGJHOXVOWVBL-KEOOTSPTSA-N 2 2 571.723 0.305 1 0 KCAFLP CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026817469 561820473 /nfs/dbraw/zinc/82/04/73/561820473.db2.gz JOVGJHOXVOWVBL-VMAPGKTHSA-N 2 2 571.723 0.305 1 0 KCAFLP CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026817475 561820478 /nfs/dbraw/zinc/82/04/78/561820478.db2.gz JOVGJHOXVOWVBL-KFEALIJWSA-N 2 2 571.723 0.305 1 0 KCAFLP CC1(C)S[C@H]([C@@H](CO)NC(=O)Cc2ccccc2)[NH2+][C@H]1C(=O)NCCNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](CO)NC(=O)Cc2ccccc2)SC1(C)C ZINC000026845773 561826531 /nfs/dbraw/zinc/82/65/31/561826531.db2.gz ZJWOSCDRPXZBJU-AWAUJLNSSA-N 2 2 700.928 0.278 1 0 KCAFLP O=C(CN1CC[NH+](CCO)CC1)Nc1nc2cc3nc(NC(=O)CN4CC[NH+](CCO)CC4)sc3cc2s1 ZINC000027190145 561843390 /nfs/dbraw/zinc/84/33/90/561843390.db2.gz MOYWCJRMPOBIIK-UHFFFAOYSA-N 2 2 562.722 0.003 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027204516 561845692 /nfs/dbraw/zinc/84/56/92/561845692.db2.gz LCVYCCGSRMTKOI-LAGMNFORSA-N 2 2 682.888 0.667 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027204516 561845691 /nfs/dbraw/zinc/84/56/91/561845691.db2.gz LCVYCCGSRMTKOI-LAGMNFORSA-N 2 2 682.888 0.667 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027204523 561845721 /nfs/dbraw/zinc/84/57/21/561845721.db2.gz LCVYCCGSRMTKOI-MJZFBSQESA-N 2 2 682.888 0.667 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027204523 561845720 /nfs/dbraw/zinc/84/57/20/561845720.db2.gz LCVYCCGSRMTKOI-MJZFBSQESA-N 2 2 682.888 0.667 1 0 KCAFLP O=C(N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000027208215 561846442 /nfs/dbraw/zinc/84/64/42/561846442.db2.gz AOCZYEHUBSKDRN-FRQMKGBUSA-N 2 2 713.873 0.738 1 0 KCAFLP [NH3+][C@@H]1CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C[C@@H]1[NH3+] ZINC000028703965 561948038 /nfs/dbraw/zinc/94/80/38/561948038.db2.gz KQYJJWNXQDDZAU-AMBYYYRHSA-N 4 2 554.059 0.566 1 0 KCAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](C[NH3+])NC1=O ZINC000028823445 561968097 /nfs/dbraw/zinc/96/80/97/561968097.db2.gz RNBDSMPFOAMAPA-GIFXNVAJSA-N 2 2 525.650 0.619 1 0 KCAFLP Cc1[nH+]cn(CC(=O)N[C@@H]2CCC[NH2+]C2)c1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O ZINC000029125580 561997863 /nfs/dbraw/zinc/99/78/63/561997863.db2.gz WUJDCZADSIDIKU-JOCHJYFZSA-N 2 2 520.638 0.896 1 0 KCAFLP Cc1[nH+]cn(CC(=O)N[C@H]2CCC[NH2+]C2)c1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O ZINC000029125581 561997870 /nfs/dbraw/zinc/99/78/70/561997870.db2.gz WUJDCZADSIDIKU-QFIPXVFZSA-N 2 2 520.638 0.896 1 0 KCAFLP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C[C@@H](O)C[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029229039 562008988 /nfs/dbraw/zinc/00/89/88/562008988.db2.gz HLLVGQRVFKYVAZ-XTPWPRAMSA-N 2 2 586.734 0.993 1 0 KCAFLP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C[C@H](O)C[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029229047 562008982 /nfs/dbraw/zinc/00/89/82/562008982.db2.gz HLLVGQRVFKYVAZ-HOJFNWINSA-N 2 2 586.734 0.993 1 0 KCAFLP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C[C@@H](O)C[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029229054 562009029 /nfs/dbraw/zinc/00/90/29/562009029.db2.gz HLLVGQRVFKYVAZ-IYBBNNOUSA-N 2 2 586.734 0.993 1 0 KCAFLP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C[C@H](O)C[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029229062 562009013 /nfs/dbraw/zinc/00/90/13/562009013.db2.gz HLLVGQRVFKYVAZ-MXEJUDAGSA-N 2 2 586.734 0.993 1 0 KCAFLP COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C[C@@H](O)C[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029236747 562009782 /nfs/dbraw/zinc/00/97/82/562009782.db2.gz HLLVGQRVFKYVAZ-NYZPJPFGSA-N 2 2 586.734 0.993 1 0 KCAFLP COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C[C@H](O)C[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029236754 562009760 /nfs/dbraw/zinc/00/97/60/562009760.db2.gz HLLVGQRVFKYVAZ-VRCQNKPTSA-N 2 2 586.734 0.993 1 0 KCAFLP COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C[C@@H](O)C[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029236762 562009767 /nfs/dbraw/zinc/00/97/67/562009767.db2.gz HLLVGQRVFKYVAZ-DPHMXHQSSA-N 2 2 586.734 0.993 1 0 KCAFLP COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)C[C@H](O)C[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000029236769 562009792 /nfs/dbraw/zinc/00/97/92/562009792.db2.gz HLLVGQRVFKYVAZ-WZCHVDBHSA-N 2 2 586.734 0.993 1 0 KCAFLP C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000029570874 562035592 /nfs/dbraw/zinc/03/55/92/562035592.db2.gz ONFGNOWUGUIKMU-STRUACEYSA-N 3 2 697.841 0.492 1 0 KCAFLP C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000029570874 562035590 /nfs/dbraw/zinc/03/55/90/562035590.db2.gz ONFGNOWUGUIKMU-STRUACEYSA-N 3 2 697.841 0.492 1 0 KCAFLP [NH3+]CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2ccc(C[NH3+])cc2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000040391072 562073557 /nfs/dbraw/zinc/07/35/57/562073557.db2.gz WLGUYBBQGLSJOT-DEOSSOPVSA-N 3 2 530.695 0.910 1 0 KCAFLP CC[N@H+]1CCN2CCS(=O)(=O)N(C)[C@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@@H]32 ZINC000043080602 581096283 /nfs/dbraw/zinc/09/62/83/581096283.db2.gz YINGAUWXSHHKHN-IHBRBHLJSA-N 2 2 529.707 0.301 1 0 KCAFLP CC[N@@H+]1CCN2CCS(=O)(=O)N(C)[C@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@@H]32 ZINC000043080602 581096282 /nfs/dbraw/zinc/09/62/82/581096282.db2.gz YINGAUWXSHHKHN-IHBRBHLJSA-N 2 2 529.707 0.301 1 0 KCAFLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000045300524 562660429 /nfs/dbraw/zinc/66/04/29/562660429.db2.gz JMXZBJCIZHMZRJ-OALUTQOASA-N 2 2 500.604 0.910 1 0 KCAFLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000045300524 562660428 /nfs/dbraw/zinc/66/04/28/562660428.db2.gz JMXZBJCIZHMZRJ-OALUTQOASA-N 2 2 500.604 0.910 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C/C=C/c1ccccc1)C(N)=O ZINC000049677814 562668359 /nfs/dbraw/zinc/66/83/59/562668359.db2.gz KVHVZQKGTVCTQW-SGNAOXBASA-N 2 2 601.712 0.501 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C/C=C/c1ccccc1)C(N)=O ZINC000049677814 562668358 /nfs/dbraw/zinc/66/83/58/562668358.db2.gz KVHVZQKGTVCTQW-SGNAOXBASA-N 2 2 601.712 0.501 1 0 KCAFLP COc1ccc(C=CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000049677817 562668379 /nfs/dbraw/zinc/66/83/79/562668379.db2.gz JYNLYZMGADFMLF-KYZCJBLDSA-N 2 2 617.711 0.120 1 0 KCAFLP COc1ccc(C=CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000049677817 562668378 /nfs/dbraw/zinc/66/83/78/562668378.db2.gz JYNLYZMGADFMLF-KYZCJBLDSA-N 2 2 617.711 0.120 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O ZINC000049677915 562668390 /nfs/dbraw/zinc/66/83/90/562668390.db2.gz DLOCVLGKPMETOO-PFBJBMPXSA-N 2 2 627.706 0.570 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O ZINC000049677915 562668389 /nfs/dbraw/zinc/66/83/89/562668389.db2.gz DLOCVLGKPMETOO-PFBJBMPXSA-N 2 2 627.706 0.570 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccccc1F)C(N)=O ZINC000049678015 562668431 /nfs/dbraw/zinc/66/84/31/562668431.db2.gz TUKHJSCGQURWQQ-ZLBSISGLSA-N 2 2 605.675 0.250 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O ZINC000049678015 562668430 /nfs/dbraw/zinc/66/84/30/562668430.db2.gz TUKHJSCGQURWQQ-ZLBSISGLSA-N 2 2 605.675 0.250 1 0 KCAFLP CS(=O)(=O)Nc1ccccc1Nc1nc(NCCO)[nH+]c(NCCc2ccc(Nc3nc(NCCO)[nH+]c(NCCO)n3)cc2)n1 ZINC000049678022 562668441 /nfs/dbraw/zinc/66/84/41/562668441.db2.gz FCLOCACDFPDLFW-UHFFFAOYSA-N 2 2 655.746 0.783 1 0 KCAFLP COc1ccccc1C=CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O ZINC000049678193 562668489 /nfs/dbraw/zinc/66/84/89/562668489.db2.gz POHSNDLUDBIGIE-YIQBPBSRSA-N 2 2 617.711 0.120 1 0 KCAFLP COc1ccccc1C=CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O ZINC000049678193 562668488 /nfs/dbraw/zinc/66/84/88/562668488.db2.gz POHSNDLUDBIGIE-YIQBPBSRSA-N 2 2 617.711 0.120 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O ZINC000049678265 562668459 /nfs/dbraw/zinc/66/84/59/562668459.db2.gz SZZWCXOBVKSYFY-ZUQJSNLJSA-N 2 2 622.130 0.765 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O ZINC000049678265 562668458 /nfs/dbraw/zinc/66/84/58/562668458.db2.gz SZZWCXOBVKSYFY-ZUQJSNLJSA-N 2 2 622.130 0.765 1 0 KCAFLP Nc1cccc(Nc2nc(NCCO)[nH+]c(NCC(O)CNc3nc(Nc4cccc(N)c4)nc(NCCO)[nH+]3)n2)c1 ZINC000049678624 562668591 /nfs/dbraw/zinc/66/85/91/562668591.db2.gz SFNKQWOIFLLPTE-UHFFFAOYSA-N 2 2 578.642 0.402 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O ZINC000049678688 562668607 /nfs/dbraw/zinc/66/86/07/562668607.db2.gz CVVWWYJPDWRAEB-FULHUOFVSA-N 2 2 622.130 0.765 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O ZINC000049678688 562668606 /nfs/dbraw/zinc/66/86/06/562668606.db2.gz CVVWWYJPDWRAEB-FULHUOFVSA-N 2 2 622.130 0.765 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O ZINC000049679237 562668800 /nfs/dbraw/zinc/66/88/00/562668800.db2.gz RJVMIMYECFLWOD-DJZHUYDLSA-N 2 2 623.665 0.389 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O ZINC000049679237 562668799 /nfs/dbraw/zinc/66/87/99/562668799.db2.gz RJVMIMYECFLWOD-DJZHUYDLSA-N 2 2 623.665 0.389 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=CC=Cc1ccc2c(c1)OCO2)C(N)=O ZINC000049679599 562668922 /nfs/dbraw/zinc/66/89/22/562668922.db2.gz ULZMJZCJOFMASA-IEBLYCLDSA-N 2 2 657.732 0.396 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=CC=Cc1ccc2c(c1)OCO2)C(N)=O ZINC000049679599 562668921 /nfs/dbraw/zinc/66/89/21/562668921.db2.gz ULZMJZCJOFMASA-IEBLYCLDSA-N 2 2 657.732 0.396 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O ZINC000049679610 562668906 /nfs/dbraw/zinc/66/89/06/562668906.db2.gz VORCDWUGXBEFDJ-OJGSOMIXSA-N 2 2 605.675 0.408 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O ZINC000049679610 562668905 /nfs/dbraw/zinc/66/89/05/562668905.db2.gz VORCDWUGXBEFDJ-OJGSOMIXSA-N 2 2 605.675 0.408 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O ZINC000049679613 562668917 /nfs/dbraw/zinc/66/89/17/562668917.db2.gz PLXFBHOHFXMKET-SDHSZQHLSA-N 2 2 617.711 0.061 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O ZINC000049679613 562668916 /nfs/dbraw/zinc/66/89/16/562668916.db2.gz PLXFBHOHFXMKET-SDHSZQHLSA-N 2 2 617.711 0.061 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCCc1ccc2c(c1)OCO2)C(N)=O ZINC000049679616 562668942 /nfs/dbraw/zinc/66/89/42/562668942.db2.gz XCKTVJBOBVHJMA-CYXNTTPDSA-N 2 2 661.764 0.540 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCCc1ccc2c(c1)OCO2)C(N)=O ZINC000049679616 562668941 /nfs/dbraw/zinc/66/89/41/562668941.db2.gz XCKTVJBOBVHJMA-CYXNTTPDSA-N 2 2 661.764 0.540 1 0 KCAFLP Nc1cccc(Nc2nc(NCCO)[nH+]c(NCCc3ccc(Nc4nc(NCCO)[nH+]c(NCCO)n4)cc3)n2)c1 ZINC000049679629 562668900 /nfs/dbraw/zinc/66/89/00/562668900.db2.gz FCFCOMKKVQHEHZ-UHFFFAOYSA-N 2 2 577.654 0.993 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O ZINC000049679955 562669045 /nfs/dbraw/zinc/66/90/45/562669045.db2.gz RHOWSTRIYYLBAZ-UWMJZSKHSA-N 2 2 613.723 0.667 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O ZINC000049679955 562669044 /nfs/dbraw/zinc/66/90/44/562669044.db2.gz RHOWSTRIYYLBAZ-UWMJZSKHSA-N 2 2 613.723 0.667 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCc1ccccc1)C(N)=O ZINC000049680044 562669112 /nfs/dbraw/zinc/66/91/12/562669112.db2.gz PZZOHVGUHARWRP-CYXNTTPDSA-N 2 2 603.728 0.421 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCc1ccccc1)C(N)=O ZINC000049680044 562669111 /nfs/dbraw/zinc/66/91/11/562669111.db2.gz PZZOHVGUHARWRP-CYXNTTPDSA-N 2 2 603.728 0.421 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccccc1)C(N)=O ZINC000049680048 562669082 /nfs/dbraw/zinc/66/90/82/562669082.db2.gz ZCUHKWDCXXFSBL-YIQBPBSRSA-N 2 2 587.685 0.111 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O ZINC000049680048 562669081 /nfs/dbraw/zinc/66/90/81/562669081.db2.gz ZCUHKWDCXXFSBL-YIQBPBSRSA-N 2 2 587.685 0.111 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O ZINC000049680306 562669177 /nfs/dbraw/zinc/66/91/77/562669177.db2.gz GCGOAZRZURMILC-SDHSZQHLSA-N 2 2 635.701 0.200 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O ZINC000049680306 562669176 /nfs/dbraw/zinc/66/91/76/562669176.db2.gz GCGOAZRZURMILC-SDHSZQHLSA-N 2 2 635.701 0.200 1 0 KCAFLP Nc1cccc(Nc2nc(NCCO)[nH+]c(NCCc3ccc(Nc4nc(NCC[NH3+])nc(NCCO)n4)cc3)n2)c1 ZINC000049694447 562669350 /nfs/dbraw/zinc/66/93/50/562669350.db2.gz ONVKJWHPFIZBSV-UHFFFAOYSA-N 2 2 576.670 0.960 1 0 KCAFLP COc1ccc(C=CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000049694490 562669398 /nfs/dbraw/zinc/66/93/98/562669398.db2.gz JYNLYZMGADFMLF-DFQJRSOHSA-N 2 2 617.711 0.120 1 0 KCAFLP COc1ccc(C=CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000049694490 562669397 /nfs/dbraw/zinc/66/93/97/562669397.db2.gz JYNLYZMGADFMLF-DFQJRSOHSA-N 2 2 617.711 0.120 1 0 KCAFLP [NH3+]CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000049775118 562678888 /nfs/dbraw/zinc/67/88/88/562678888.db2.gz WDJIOEGFXRGYCZ-ZEQRLZLVSA-N 2 2 566.615 0.689 1 0 KCAFLP [NH3+]CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000049775118 562678887 /nfs/dbraw/zinc/67/88/87/562678887.db2.gz WDJIOEGFXRGYCZ-ZEQRLZLVSA-N 2 2 566.615 0.689 1 0 KCAFLP [NH3+]CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C(=O)NC1CCCCC1 ZINC000049777411 562679998 /nfs/dbraw/zinc/67/99/98/562679998.db2.gz ZXQQGMAHUGFFNB-GSDHBNRESA-N 2 2 583.734 0.610 1 0 KCAFLP [NH3+]CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C(=O)NC1CCCCC1 ZINC000049777411 562679997 /nfs/dbraw/zinc/67/99/97/562679997.db2.gz ZXQQGMAHUGFFNB-GSDHBNRESA-N 2 2 583.734 0.610 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049778350 562681246 /nfs/dbraw/zinc/68/12/46/562681246.db2.gz NKDXCOMNRCSRHU-MLMSKLGMSA-N 2 2 739.882 0.812 1 0 in-vivo KCAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049778350 562681245 /nfs/dbraw/zinc/68/12/45/562681245.db2.gz NKDXCOMNRCSRHU-MLMSKLGMSA-N 2 2 739.882 0.812 1 0 in-vivo KCAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049778389 562681293 /nfs/dbraw/zinc/68/12/93/562681293.db2.gz IYMUEULNOLBKRK-RRGQHJHPSA-N 2 2 711.828 0.031 1 0 in-vivo KCAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049778389 562681292 /nfs/dbraw/zinc/68/12/92/562681292.db2.gz IYMUEULNOLBKRK-RRGQHJHPSA-N 2 2 711.828 0.031 1 0 in-vivo KCAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])[NH2+]C[C@@H]1O[C@H](CC(=O)NCCc2c[nH]c3ccccc23)[C@@H]2OC(C)(C)O[C@H]12 ZINC000049792567 562684418 /nfs/dbraw/zinc/68/44/18/562684418.db2.gz JLQLWMZDKMEPRX-BVETWUGGSA-N 2 2 544.653 0.899 1 0 KCAFLP [NH3+]CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000049793094 562684611 /nfs/dbraw/zinc/68/46/11/562684611.db2.gz UCVZSNQZCAJNSD-GOTSBHOMSA-N 2 2 552.588 0.298 1 0 KCAFLP [NH3+]CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000049793094 562684610 /nfs/dbraw/zinc/68/46/10/562684610.db2.gz UCVZSNQZCAJNSD-GOTSBHOMSA-N 2 2 552.588 0.298 1 0 KCAFLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000049833256 562687637 /nfs/dbraw/zinc/68/76/37/562687637.db2.gz RPADRBKCRCLQJX-LROMGURASA-N 2 2 713.972 0.339 1 0 KCAFLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049841297 562688224 /nfs/dbraw/zinc/68/82/24/562688224.db2.gz OHBCPCNJWIQQPW-ZWDYZTTJSA-N 2 2 735.850 0.780 1 0 in-vivo KCAFLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049841297 562688223 /nfs/dbraw/zinc/68/82/23/562688223.db2.gz OHBCPCNJWIQQPW-ZWDYZTTJSA-N 2 2 735.850 0.780 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049872458 562690029 /nfs/dbraw/zinc/69/00/29/562690029.db2.gz MMUWWLSBKXUHNW-IHZBLBIESA-N 2 2 741.898 0.924 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049872458 562690028 /nfs/dbraw/zinc/69/00/28/562690028.db2.gz MMUWWLSBKXUHNW-IHZBLBIESA-N 2 2 741.898 0.924 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877767 562690295 /nfs/dbraw/zinc/69/02/95/562690295.db2.gz LCVYCCGSRMTKOI-DWEANLPTSA-N 2 2 682.888 0.667 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877767 562690294 /nfs/dbraw/zinc/69/02/94/562690294.db2.gz LCVYCCGSRMTKOI-DWEANLPTSA-N 2 2 682.888 0.667 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877770 562690288 /nfs/dbraw/zinc/69/02/88/562690288.db2.gz LCVYCCGSRMTKOI-ITYWIWFRSA-N 2 2 682.888 0.667 1 0 KCAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877770 562690287 /nfs/dbraw/zinc/69/02/87/562690287.db2.gz LCVYCCGSRMTKOI-ITYWIWFRSA-N 2 2 682.888 0.667 1 0 KCAFLP CC(=S)NCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000049878277 562690498 /nfs/dbraw/zinc/69/04/98/562690498.db2.gz LYLDBRLNZBAPEA-CMOCDZPBSA-N 2 2 582.772 0.101 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049878600 562690668 /nfs/dbraw/zinc/69/06/68/562690668.db2.gz ZUBCUEXAMNVTMP-FKWFRFQNSA-N 2 2 720.235 0.280 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049878600 562690667 /nfs/dbraw/zinc/69/06/67/562690667.db2.gz ZUBCUEXAMNVTMP-FKWFRFQNSA-N 2 2 720.235 0.280 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049899387 562693061 /nfs/dbraw/zinc/69/30/61/562693061.db2.gz UKEQUTYGNFBBKH-FKWFRFQNSA-N 2 2 720.235 0.280 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049899387 562693060 /nfs/dbraw/zinc/69/30/60/562693060.db2.gz UKEQUTYGNFBBKH-FKWFRFQNSA-N 2 2 720.235 0.280 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049938274 562695179 /nfs/dbraw/zinc/69/51/79/562695179.db2.gz UGZCETYTNPGFGN-XFBWMNOSSA-N 2 2 725.855 0.421 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049938274 562695178 /nfs/dbraw/zinc/69/51/78/562695178.db2.gz UGZCETYTNPGFGN-XFBWMNOSSA-N 2 2 725.855 0.421 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000058548617 562699121 /nfs/dbraw/zinc/69/91/21/562699121.db2.gz QKFCYPKTTJCUSZ-YADHBBJMSA-N 2 2 556.693 0.329 1 0 in-vitro KCAFLP [NH3+]CCCCNC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@H]1C(=O)NCCc1ccc2ccccc2c1 ZINC000072116986 562723303 /nfs/dbraw/zinc/72/33/03/562723303.db2.gz FLYMDDTWCHHRGP-SDHSZQHLSA-N 3 2 519.650 0.721 1 0 KCAFLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118127 562723399 /nfs/dbraw/zinc/72/33/99/562723399.db2.gz SOMAZWVCWMGZQF-ZLNRFVROSA-N 3 2 522.654 0.440 1 0 KCAFLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118127 562723398 /nfs/dbraw/zinc/72/33/98/562723398.db2.gz SOMAZWVCWMGZQF-ZLNRFVROSA-N 3 2 522.654 0.440 1 0 KCAFLP CCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1C(=O)Nc1c(CC)n(C2C[NH2+]C2)nc1C(N)=O ZINC000073198899 562735899 /nfs/dbraw/zinc/73/58/99/562735899.db2.gz NCPKWKYTHFNNKT-UHFFFAOYSA-N 2 2 534.643 0.061 1 0 KCAFLP CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CC[NH2+]CN2C1=O ZINC000095536513 562753902 /nfs/dbraw/zinc/75/39/02/562753902.db2.gz WTETWKLTCVIOPR-PBKJTSCRSA-N 2 2 756.909 0.710 1 0 KCAFLP CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CC[NH2+]CN2C1=O ZINC000095536513 562753901 /nfs/dbraw/zinc/75/39/01/562753901.db2.gz WTETWKLTCVIOPR-PBKJTSCRSA-N 2 2 756.909 0.710 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095544642 562757742 /nfs/dbraw/zinc/75/77/42/562757742.db2.gz PRCMOLNMVBSDRO-LJWNLINESA-N 2 2 753.787 0.559 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095544642 562757741 /nfs/dbraw/zinc/75/77/41/562757741.db2.gz PRCMOLNMVBSDRO-LJWNLINESA-N 2 2 753.787 0.559 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545448 562758079 /nfs/dbraw/zinc/75/80/79/562758079.db2.gz VLXDEFRTAJLNNA-CUPIEXAXSA-N 2 2 761.888 0.849 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545448 562758078 /nfs/dbraw/zinc/75/80/78/562758078.db2.gz VLXDEFRTAJLNNA-CUPIEXAXSA-N 2 2 761.888 0.849 1 0 KCAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](Cc2cccs2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000095548618 562759334 /nfs/dbraw/zinc/75/93/34/562759334.db2.gz PBHZMYCALDXPJH-AYOVWCFUSA-N 2 2 775.981 0.398 1 0 KCAFLP CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@H]1CCCCNC1=O ZINC000095558901 562762573 /nfs/dbraw/zinc/76/25/73/562762573.db2.gz DTMJMLXQQIRKTC-NJLBDYGDSA-N 2 2 709.893 0.358 1 0 KCAFLP CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@H]1CCCCNC1=O ZINC000095558901 562762572 /nfs/dbraw/zinc/76/25/72/562762572.db2.gz DTMJMLXQQIRKTC-NJLBDYGDSA-N 2 2 709.893 0.358 1 0 KCAFLP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095586669 562774054 /nfs/dbraw/zinc/77/40/54/562774054.db2.gz ASWUFYPAPXLMOV-ZEQRLZLVSA-N 2 2 539.681 0.480 1 0 KCAFLP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)[O-])[NH2+]CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095590335 562775200 /nfs/dbraw/zinc/77/52/00/562775200.db2.gz QFUPWAISUFULPY-ZEQRLZLVSA-N 2 2 567.691 0.962 1 0 KCAFLP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(N)=O)[NH2+]CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095592945 562776073 /nfs/dbraw/zinc/77/60/73/562776073.db2.gz DRRIPKALDCWAJI-DQEYMECFSA-N 3 2 580.734 0.753 1 0 KCAFLP NC(=[NH2+])NCC[C@@H]([NH3+])C(=O)NCCCCC[NH2+]CCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c[nH+]1 ZINC000095595823 562776821 /nfs/dbraw/zinc/77/68/21/562776821.db2.gz GPKAPPWMCNVGKQ-KCWPFWIISA-N 4 2 630.795 0.364 1 0 KCAFLP NC(=[NH2+])NCC[C@@H]([NH3+])C(=O)NCCCCCCCC[NH2+]CCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c[nH+]1 ZINC000095595838 562776850 /nfs/dbraw/zinc/77/68/50/562776850.db2.gz FEYRRUYUQQFBJS-KCWPFWIISA-N 4 2 630.795 0.364 1 0 KCAFLP NC(=O)[C@@H]1CS[C@H]([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[NH2+]1 ZINC000095607669 562782931 /nfs/dbraw/zinc/78/29/31/562782931.db2.gz YSNGOYFPEBKATM-DOIZHCAFSA-N 2 2 550.685 0.978 1 0 KCAFLP NC(=O)[C@@H]1CS[C@@H]([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[NH2+]1 ZINC000095607670 562782985 /nfs/dbraw/zinc/78/29/85/562782985.db2.gz YSNGOYFPEBKATM-DHXJALRNSA-N 2 2 550.685 0.978 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610337 562784316 /nfs/dbraw/zinc/78/43/16/562784316.db2.gz XVPBPJWOKGRCPR-PRTBYXSSSA-N 2 2 791.914 0.210 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610337 562784315 /nfs/dbraw/zinc/78/43/15/562784315.db2.gz XVPBPJWOKGRCPR-PRTBYXSSSA-N 2 2 791.914 0.210 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610338 562784294 /nfs/dbraw/zinc/78/42/94/562784294.db2.gz XVPBPJWOKGRCPR-ZZTWKDBPSA-N 2 2 791.914 0.210 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610338 562784293 /nfs/dbraw/zinc/78/42/93/562784293.db2.gz XVPBPJWOKGRCPR-ZZTWKDBPSA-N 2 2 791.914 0.210 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610430 562784396 /nfs/dbraw/zinc/78/43/96/562784396.db2.gz PJDCKQFLLOIVHJ-YRCZKMHPSA-N 2 2 747.861 0.920 1 0 KCAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610430 562784395 /nfs/dbraw/zinc/78/43/95/562784395.db2.gz PJDCKQFLLOIVHJ-YRCZKMHPSA-N 2 2 747.861 0.920 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610762 562784571 /nfs/dbraw/zinc/78/45/71/562784571.db2.gz OBADRSUMIBIHEX-FKWFRFQNSA-N 2 2 811.686 0.231 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095610762 562784570 /nfs/dbraw/zinc/78/45/70/562784570.db2.gz OBADRSUMIBIHEX-FKWFRFQNSA-N 2 2 811.686 0.231 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615642 562787421 /nfs/dbraw/zinc/78/74/21/562787421.db2.gz ULVZZVUTBBXNBL-FKWFRFQNSA-N 2 2 754.680 0.933 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615642 562787420 /nfs/dbraw/zinc/78/74/20/562787420.db2.gz ULVZZVUTBBXNBL-FKWFRFQNSA-N 2 2 754.680 0.933 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615798 562787557 /nfs/dbraw/zinc/78/75/57/562787557.db2.gz OBZQTNACJLTWOC-FKWFRFQNSA-N 2 2 753.787 0.645 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615798 562787556 /nfs/dbraw/zinc/78/75/56/562787556.db2.gz OBZQTNACJLTWOC-FKWFRFQNSA-N 2 2 753.787 0.645 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615940 562787662 /nfs/dbraw/zinc/78/76/62/562787662.db2.gz UDLFTFKLQRVSSE-FKWFRFQNSA-N 2 2 764.686 0.389 1 0 in-vivo KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615940 562787661 /nfs/dbraw/zinc/78/76/61/562787661.db2.gz UDLFTFKLQRVSSE-FKWFRFQNSA-N 2 2 764.686 0.389 1 0 in-vivo KCAFLP CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(N3CC[NH2+]CC3=O)c2)CC1 ZINC000096175790 562792052 /nfs/dbraw/zinc/79/20/52/562792052.db2.gz IHORCWMVOVZDHZ-SANMLTNESA-N 2 2 611.769 0.951 1 0 KCAFLP [NH3+][C@H](Cc1ccccc1)C(=O)OCN1C(=O)[C@H]2[C@@H](C1=O)C1C=CC2[C@H]2C(=O)N(COC(=O)[C@H]([NH3+])Cc3ccccc3)C(=O)[C@H]21 ZINC000105426946 562825259 /nfs/dbraw/zinc/82/52/59/562825259.db2.gz SQYJOKLCBZARSX-TYTGKRKLSA-N 2 2 600.628 0.146 1 0 KCAFLP CC(C)c1cc(-c2nn(C(=O)CN)c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)C[NH3+])cc1OC(=O)C[NH3+] ZINC000115809592 562829082 /nfs/dbraw/zinc/82/90/82/562829082.db2.gz RIMCGMJQUOVYLH-UHFFFAOYSA-N 2 2 535.561 0.643 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000162103816 562849248 /nfs/dbraw/zinc/84/92/48/562849248.db2.gz ATEVNLOMRGILER-ZXYZSCNASA-N 2 2 657.776 0.492 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000162103816 562849247 /nfs/dbraw/zinc/84/92/47/562849247.db2.gz ATEVNLOMRGILER-ZXYZSCNASA-N 2 2 657.776 0.492 1 0 KCAFLP CC[N@H+]1CCN2CCS(=O)(=O)N(C)[C@@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@@H]32 ZINC000169298854 581096299 /nfs/dbraw/zinc/09/62/99/581096299.db2.gz YINGAUWXSHHKHN-BKJQLSFMSA-N 2 2 529.707 0.301 1 0 KCAFLP CC[N@@H+]1CCN2CCS(=O)(=O)N(C)[C@@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@@H]32 ZINC000169298854 581096298 /nfs/dbraw/zinc/09/62/98/581096298.db2.gz YINGAUWXSHHKHN-BKJQLSFMSA-N 2 2 529.707 0.301 1 0 KCAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(C)cc2)[nH+]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000169335895 562859771 /nfs/dbraw/zinc/85/97/71/562859771.db2.gz PRRNRUYNNJWWBU-VABKMULXSA-N 3 2 671.804 0.490 1 0 KCAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH+]c(-c2ccc(C)cc2)[nH]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000169335895 562859770 /nfs/dbraw/zinc/85/97/70/562859770.db2.gz PRRNRUYNNJWWBU-VABKMULXSA-N 3 2 671.804 0.490 1 0 KCAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(OC)cc2)[nH+]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000169336992 562859891 /nfs/dbraw/zinc/85/98/91/562859891.db2.gz WHOJDYSURQMYDC-VABKMULXSA-N 3 2 687.803 0.190 1 0 KCAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH+]c(-c2ccc(OC)cc2)[nH]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000169336992 562859890 /nfs/dbraw/zinc/85/98/90/562859890.db2.gz WHOJDYSURQMYDC-VABKMULXSA-N 3 2 687.803 0.190 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cccc2ccccc21)C(N)=O ZINC000169348388 562862176 /nfs/dbraw/zinc/86/21/76/562862176.db2.gz ZOSNQMLKRGKNRN-MBEDZMRZSA-N 2 2 696.813 0.298 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cccc2ccccc21)C(N)=O ZINC000169348388 562862175 /nfs/dbraw/zinc/86/21/75/562862175.db2.gz ZOSNQMLKRGKNRN-MBEDZMRZSA-N 2 2 696.813 0.298 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349457 562862559 /nfs/dbraw/zinc/86/25/59/562862559.db2.gz VRQUIVOUDQMPCM-NFGXINMFSA-N 2 2 898.545 0.354 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349457 562862558 /nfs/dbraw/zinc/86/25/58/562862558.db2.gz VRQUIVOUDQMPCM-NFGXINMFSA-N 2 2 898.545 0.354 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349465 562862581 /nfs/dbraw/zinc/86/25/81/562862581.db2.gz QZGVEZCPDSNBNU-NFGXINMFSA-N 2 2 807.094 0.403 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349465 562862580 /nfs/dbraw/zinc/86/25/80/562862580.db2.gz QZGVEZCPDSNBNU-NFGXINMFSA-N 2 2 807.094 0.403 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349541 562862655 /nfs/dbraw/zinc/86/26/55/562862655.db2.gz SFUKGKYJKCDOSD-ZVBOOHQUSA-N 2 2 693.209 0.025 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349541 562862654 /nfs/dbraw/zinc/86/26/54/562862654.db2.gz SFUKGKYJKCDOSD-ZVBOOHQUSA-N 2 2 693.209 0.025 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349542 562862660 /nfs/dbraw/zinc/86/26/60/562862660.db2.gz SFUKGKYJKCDOSD-PUHABZHSSA-N 2 2 693.209 0.025 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349542 562862659 /nfs/dbraw/zinc/86/26/59/562862659.db2.gz SFUKGKYJKCDOSD-PUHABZHSSA-N 2 2 693.209 0.025 1 0 KCAFLP CC[N@H+]1CCN2CCS(=O)(=O)N(C)[C@@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@H]32 ZINC000253652338 581096362 /nfs/dbraw/zinc/09/63/62/581096362.db2.gz YINGAUWXSHHKHN-JMQONQOQSA-N 2 2 529.707 0.301 1 0 KCAFLP CC[N@@H+]1CCN2CCS(=O)(=O)N(C)[C@@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@H]32 ZINC000253652338 581096361 /nfs/dbraw/zinc/09/63/61/581096361.db2.gz YINGAUWXSHHKHN-JMQONQOQSA-N 2 2 529.707 0.301 1 0 KCAFLP CC[N@H+]1CCN2CCS(=O)(=O)N(C)[C@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@H]32 ZINC000253652344 581096347 /nfs/dbraw/zinc/09/63/47/581096347.db2.gz YINGAUWXSHHKHN-LJCOXQHRSA-N 2 2 529.707 0.301 1 0 KCAFLP CC[N@@H+]1CCN2CCS(=O)(=O)N(C)[C@H]3C=C(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)C=C1[C@H]32 ZINC000253652344 581096346 /nfs/dbraw/zinc/09/63/46/581096346.db2.gz YINGAUWXSHHKHN-LJCOXQHRSA-N 2 2 529.707 0.301 1 0 KCAFLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)NCc2cc3n(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H](O)[C@H]1O ZINC000299858838 562892540 /nfs/dbraw/zinc/89/25/40/562892540.db2.gz UOHKGDRZRXXKGI-BKPJCRJXSA-N 2 2 608.729 0.007 1 0 KCAFLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)NCc2cc3n(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H](O)[C@H]1O ZINC000299858838 562892539 /nfs/dbraw/zinc/89/25/39/562892539.db2.gz UOHKGDRZRXXKGI-BKPJCRJXSA-N 2 2 608.729 0.007 1 0 KCAFLP CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C[NH+](C)C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000299860817 562893019 /nfs/dbraw/zinc/89/30/19/562893019.db2.gz HFHSADWQOWUQCR-YXFUMQBZSA-N 2 2 675.876 0.187 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000473129058 562899971 /nfs/dbraw/zinc/89/99/71/562899971.db2.gz FIBNUCOPNWMPIQ-ZPNBPFPUSA-N 2 2 699.817 0.017 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000473129058 562899970 /nfs/dbraw/zinc/89/99/70/562899970.db2.gz FIBNUCOPNWMPIQ-ZPNBPFPUSA-N 2 2 699.817 0.017 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)Cc1c[nH]c2ccccc12 ZINC000473130093 562900084 /nfs/dbraw/zinc/90/00/84/562900084.db2.gz JLPWHJZNGMNKQZ-ZPNBPFPUSA-N 2 2 699.817 0.017 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(N)=O)Cc1c[nH]c2ccccc12 ZINC000473130093 562900083 /nfs/dbraw/zinc/90/00/83/562900083.db2.gz JLPWHJZNGMNKQZ-ZPNBPFPUSA-N 2 2 699.817 0.017 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 ZINC000473130758 562900130 /nfs/dbraw/zinc/90/01/30/562900130.db2.gz LLXNMZKMMPPHTG-DFZCOPKLSA-N 2 2 699.817 0.017 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 ZINC000473130758 562900129 /nfs/dbraw/zinc/90/01/29/562900129.db2.gz LLXNMZKMMPPHTG-DFZCOPKLSA-N 2 2 699.817 0.017 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 ZINC000473130760 562900122 /nfs/dbraw/zinc/90/01/22/562900122.db2.gz LLXNMZKMMPPHTG-GKIXMTHWSA-N 2 2 699.817 0.017 1 0 KCAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 ZINC000473130760 562900121 /nfs/dbraw/zinc/90/01/21/562900121.db2.gz LLXNMZKMMPPHTG-GKIXMTHWSA-N 2 2 699.817 0.017 1 0 KCAFLP NC(=O)CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)CN(CC[NH3+])C(=O)CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)C[NH2+]CC[NH3+] ZINC000653895818 562917416 /nfs/dbraw/zinc/91/74/16/562917416.db2.gz ZZUAYHMXOSKPAW-UHFFFAOYSA-N 3 2 805.981 0.923 1 0 KCAFLP