smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000103213127 374749879 /nfs/dbraw/zinc/74/98/79/374749879.db2.gz IQTYLRDNJJXQPP-UHFFFAOYSA-N 1 3 325.413 -1.501 20 0 EAADHO CN(C)CCN1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000237160435 414849656 /nfs/dbraw/zinc/84/96/56/414849656.db2.gz YYKKVJMIIUZCDY-AWEZNQCLSA-N 1 3 325.457 -1.192 20 0 EAADHO CN(C)CCN1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O ZINC000237161986 265148646 /nfs/dbraw/zinc/14/86/46/265148646.db2.gz YYKKVJMIIUZCDY-CQSZACIVSA-N 1 3 325.457 -1.192 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CCN[C@@H](C)C3)CC[NH2+]C2)CCN1 ZINC000237585533 265227444 /nfs/dbraw/zinc/22/74/44/265227444.db2.gz NWFQERLHKKNEMV-KEYYUXOJSA-N 1 3 337.468 -1.003 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CCN[C@@H](C)C3)CC[NH2+]C2)CCN1 ZINC000237587056 415159221 /nfs/dbraw/zinc/15/92/21/415159221.db2.gz NWFQERLHKKNEMV-JKIFEVAISA-N 1 3 337.468 -1.003 20 0 EAADHO C[C@H]1CN(C(=O)C[C@@]2(C(=O)N3CCN[C@@H](C)C3)CC[NH2+]C2)CCN1 ZINC000237742798 545692703 /nfs/dbraw/zinc/69/27/03/545692703.db2.gz NWFQERLHKKNEMV-ZQIUZPCESA-N 1 3 337.468 -1.003 20 0 EAADHO C[C@H]1CN(C(=O)C[C@]2(C(=O)N3CCN[C@@H](C)C3)CC[NH2+]C2)CCN1 ZINC000237744287 545693204 /nfs/dbraw/zinc/69/32/04/545693204.db2.gz NWFQERLHKKNEMV-GRDNDAEWSA-N 1 3 337.468 -1.003 20 0 EAADHO Cn1cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c(=O)n(C)c1=O ZINC000261927890 265061473 /nfs/dbraw/zinc/06/14/73/265061473.db2.gz CJEMBMFURBZOIF-CYBMUJFWSA-N 1 3 337.424 -1.097 20 0 EAADHO Cn1cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c(=O)n(C)c1=O ZINC000261927891 374843668 /nfs/dbraw/zinc/84/36/68/374843668.db2.gz CJEMBMFURBZOIF-ZDUSSCGKSA-N 1 3 337.424 -1.097 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@@H]1N(C)C ZINC000331627952 265358277 /nfs/dbraw/zinc/35/82/77/265358277.db2.gz GOPDCVFNGYONNA-ILXRZTDVSA-N 1 3 337.468 -1.099 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@@H]1N(C)C ZINC000331627968 265180189 /nfs/dbraw/zinc/18/01/89/265180189.db2.gz GOPDCVFNGYONNA-KFWWJZLASA-N 1 3 337.468 -1.099 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[C@H]1N(C)C ZINC000331627972 415071884 /nfs/dbraw/zinc/07/18/84/415071884.db2.gz GOPDCVFNGYONNA-QLFBSQMISA-N 1 3 337.468 -1.099 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[C@H]1N(C)C ZINC000331627974 415073793 /nfs/dbraw/zinc/07/37/93/415073793.db2.gz GOPDCVFNGYONNA-RBSFLKMASA-N 1 3 337.468 -1.099 20 0 EAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333542492 415079634 /nfs/dbraw/zinc/07/96/34/415079634.db2.gz ODBFQSJUAQCEGI-KBPBESRZSA-N 1 3 339.440 -1.077 20 0 EAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333542493 265037130 /nfs/dbraw/zinc/03/71/30/265037130.db2.gz ODBFQSJUAQCEGI-KGLIPLIRSA-N 1 3 339.440 -1.077 20 0 EAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333542494 415079433 /nfs/dbraw/zinc/07/94/33/415079433.db2.gz ODBFQSJUAQCEGI-UONOGXRCSA-N 1 3 339.440 -1.077 20 0 EAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333542495 415081356 /nfs/dbraw/zinc/08/13/56/415081356.db2.gz ODBFQSJUAQCEGI-ZIAGYGMSSA-N 1 3 339.440 -1.077 20 0 EAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC(CO)C1 ZINC000340743151 265259524 /nfs/dbraw/zinc/25/95/24/265259524.db2.gz LGVVNFGFPMVWFS-CYBMUJFWSA-N 1 3 340.424 -1.504 20 0 EAADHO CC(C)Nc1nc(NCCO)nc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000342803251 265131346 /nfs/dbraw/zinc/13/13/46/265131346.db2.gz WFXWLWGSOOQLJP-AWEZNQCLSA-N 1 3 327.433 -1.914 20 0 EAADHO CC(C)Nc1nc(NCCO)nc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000342803252 265037247 /nfs/dbraw/zinc/03/72/47/265037247.db2.gz WFXWLWGSOOQLJP-CQSZACIVSA-N 1 3 327.433 -1.914 20 0 EAADHO CN(C)CCN1C[C@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611741 374693112 /nfs/dbraw/zinc/69/31/12/374693112.db2.gz YIGRWYLVHZMFHH-CABCVRRESA-N 1 3 337.468 -1.097 20 0 EAADHO CN(C)CCN1C[C@@H](C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611752 374692915 /nfs/dbraw/zinc/69/29/15/374692915.db2.gz YIGRWYLVHZMFHH-GJZGRUSLSA-N 1 3 337.468 -1.097 20 0 EAADHO CN(C)CCN1C[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611754 265260547 /nfs/dbraw/zinc/26/05/47/265260547.db2.gz YIGRWYLVHZMFHH-HUUCEWRRSA-N 1 3 337.468 -1.097 20 0 EAADHO CN(C)CCN1C[C@@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC000343611756 415029381 /nfs/dbraw/zinc/02/93/81/415029381.db2.gz YIGRWYLVHZMFHH-LSDHHAIUSA-N 1 3 337.468 -1.097 20 0 EAADHO CN(C)[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344611910 374698697 /nfs/dbraw/zinc/69/86/97/374698697.db2.gz CKDQAVGQBPYSGP-AWEZNQCLSA-N 1 3 326.441 -1.031 20 0 EAADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344611911 265161543 /nfs/dbraw/zinc/16/15/43/265161543.db2.gz CKDQAVGQBPYSGP-CQSZACIVSA-N 1 3 326.441 -1.031 20 0 EAADHO OC[C@H]1CC[C@@H](CO)N1CCOCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347305006 265211786 /nfs/dbraw/zinc/21/17/86/265211786.db2.gz IEYYAWXLFGKDSN-FPCVCCKLSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@H]1CC[C@H](CO)N1CCOCC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305006 265211782 /nfs/dbraw/zinc/21/17/82/265211782.db2.gz IEYYAWXLFGKDSN-FPCVCCKLSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@H]1CC[C@H](CO)N1CCOCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305006 265211775 /nfs/dbraw/zinc/21/17/75/265211775.db2.gz IEYYAWXLFGKDSN-FPCVCCKLSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@H]1CC[C@@H](CO)N1CCOCC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305056 265128657 /nfs/dbraw/zinc/12/86/57/265128657.db2.gz IEYYAWXLFGKDSN-GEEKYZPCSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@H]1CC[C@@H](CO)N1CCOCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305056 265128656 /nfs/dbraw/zinc/12/86/56/265128656.db2.gz IEYYAWXLFGKDSN-GEEKYZPCSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@@H]1CC[C@@H](CO)N1CCOCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347305058 265200459 /nfs/dbraw/zinc/20/04/59/265200459.db2.gz IEYYAWXLFGKDSN-VGWMRTNUSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@H]1CC[C@@H](CO)[N@H+]1CCOCCN1[C@H](CO)CC[C@H]1CO ZINC000347305059 265367079 /nfs/dbraw/zinc/36/70/79/265367079.db2.gz IEYYAWXLFGKDSN-YHUYYLMFSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@H]1CC[C@@H](CO)[N@@H+]1CCOCCN1[C@H](CO)CC[C@H]1CO ZINC000347305059 265367076 /nfs/dbraw/zinc/36/70/76/265367076.db2.gz IEYYAWXLFGKDSN-YHUYYLMFSA-N 1 3 332.441 -1.362 20 0 EAADHO OC[C@H]1CC[C@@H](CO)N1CCOCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347305059 265367073 /nfs/dbraw/zinc/36/70/73/265367073.db2.gz IEYYAWXLFGKDSN-YHUYYLMFSA-N 1 3 332.441 -1.362 20 0 EAADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CCOC2C[NH2+]C2)cn1 ZINC000349029607 415059465 /nfs/dbraw/zinc/05/94/65/415059465.db2.gz QXGMVFZNCMJOLJ-UHFFFAOYSA-N 1 3 338.412 -1.122 20 0 EAADHO CCN1CCN([C@@H](C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351524637 265395334 /nfs/dbraw/zinc/39/53/34/265395334.db2.gz RSJKSTYRQNYSJT-KBPBESRZSA-N 1 3 325.457 -1.003 20 0 EAADHO CCN1CCN([C@H](C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351524639 265006353 /nfs/dbraw/zinc/00/63/53/265006353.db2.gz RSJKSTYRQNYSJT-KGLIPLIRSA-N 1 3 325.457 -1.003 20 0 EAADHO CCN1CCN([C@@H](C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351524641 265396626 /nfs/dbraw/zinc/39/66/26/265396626.db2.gz RSJKSTYRQNYSJT-UONOGXRCSA-N 1 3 325.457 -1.003 20 0 EAADHO CCN1CCN([C@H](C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351524642 265139627 /nfs/dbraw/zinc/13/96/27/265139627.db2.gz RSJKSTYRQNYSJT-ZIAGYGMSSA-N 1 3 325.457 -1.003 20 0 EAADHO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000351526152 265001390 /nfs/dbraw/zinc/00/13/90/265001390.db2.gz WLIWQUPCQKCRMC-KBPBESRZSA-N 1 3 325.457 -1.146 20 0 EAADHO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000351526153 415065610 /nfs/dbraw/zinc/06/56/10/415065610.db2.gz WLIWQUPCQKCRMC-KGLIPLIRSA-N 1 3 325.457 -1.146 20 0 EAADHO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000351526154 265111873 /nfs/dbraw/zinc/11/18/73/265111873.db2.gz WLIWQUPCQKCRMC-UONOGXRCSA-N 1 3 325.457 -1.146 20 0 EAADHO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)CN1CCN(C)CC1 ZINC000351526155 264634805 /nfs/dbraw/zinc/63/48/05/264634805.db2.gz WLIWQUPCQKCRMC-ZIAGYGMSSA-N 1 3 325.457 -1.146 20 0 EAADHO CCN1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351527310 265352787 /nfs/dbraw/zinc/35/27/87/265352787.db2.gz ZMFHEUJMXXMJFG-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO CCN1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351527311 415064405 /nfs/dbraw/zinc/06/44/05/415064405.db2.gz ZMFHEUJMXXMJFG-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000352097626 415076392 /nfs/dbraw/zinc/07/63/92/415076392.db2.gz URFLVSISMFQYNF-GXTWGEPZSA-N 1 3 341.456 -1.211 20 0 EAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000352097626 415076388 /nfs/dbraw/zinc/07/63/88/415076388.db2.gz URFLVSISMFQYNF-GXTWGEPZSA-N 1 3 341.456 -1.211 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000352097627 415078579 /nfs/dbraw/zinc/07/85/79/415078579.db2.gz URFLVSISMFQYNF-JSGCOSHPSA-N 1 3 341.456 -1.211 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000352097627 415078574 /nfs/dbraw/zinc/07/85/74/415078574.db2.gz URFLVSISMFQYNF-JSGCOSHPSA-N 1 3 341.456 -1.211 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352097628 265354842 /nfs/dbraw/zinc/35/48/42/265354842.db2.gz URFLVSISMFQYNF-OCCSQVGLSA-N 1 3 341.456 -1.211 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352097628 265354840 /nfs/dbraw/zinc/35/48/40/265354840.db2.gz URFLVSISMFQYNF-OCCSQVGLSA-N 1 3 341.456 -1.211 20 0 EAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352097629 265372254 /nfs/dbraw/zinc/37/22/54/265372254.db2.gz URFLVSISMFQYNF-TZMCWYRMSA-N 1 3 341.456 -1.211 20 0 EAADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352097629 265372251 /nfs/dbraw/zinc/37/22/51/265372251.db2.gz URFLVSISMFQYNF-TZMCWYRMSA-N 1 3 341.456 -1.211 20 0 EAADHO NC(=O)C[C@H](N)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353579494 415086250 /nfs/dbraw/zinc/08/62/50/415086250.db2.gz PWLKATMECAKRTK-AWEZNQCLSA-N 1 3 334.424 -1.087 20 0 EAADHO NC(=O)C[C@@H](N)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000353579496 415086180 /nfs/dbraw/zinc/08/61/80/415086180.db2.gz PWLKATMECAKRTK-CQSZACIVSA-N 1 3 334.424 -1.087 20 0 EAADHO CCN1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354753982 415093254 /nfs/dbraw/zinc/09/32/54/415093254.db2.gz YAMBWNGZXZABOL-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO CCN1CCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354753983 415094327 /nfs/dbraw/zinc/09/43/27/415094327.db2.gz YAMBWNGZXZABOL-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236390 415104673 /nfs/dbraw/zinc/10/46/73/415104673.db2.gz FDAPWLRYMYVEPG-CABCVRRESA-N 1 3 337.468 -1.097 20 0 EAADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236396 265164034 /nfs/dbraw/zinc/16/40/34/265164034.db2.gz FDAPWLRYMYVEPG-GJZGRUSLSA-N 1 3 337.468 -1.097 20 0 EAADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236398 265107253 /nfs/dbraw/zinc/10/72/53/265107253.db2.gz FDAPWLRYMYVEPG-HUUCEWRRSA-N 1 3 337.468 -1.097 20 0 EAADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1=O ZINC000357236401 265387842 /nfs/dbraw/zinc/38/78/42/265387842.db2.gz FDAPWLRYMYVEPG-LSDHHAIUSA-N 1 3 337.468 -1.097 20 0 EAADHO CC(C)Nc1nc(NCCO)nc(N2CCC([NH2+]CCO)CC2)n1 ZINC000357451196 265071526 /nfs/dbraw/zinc/07/15/26/265071526.db2.gz JHMATJXCHDOUIR-UHFFFAOYSA-N 1 3 339.444 -1.509 20 0 EAADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358094293 545688066 /nfs/dbraw/zinc/68/80/66/545688066.db2.gz ZIKKYTVVJNCMMT-CYBMUJFWSA-N 1 3 341.456 -1.290 20 0 EAADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358094293 545688060 /nfs/dbraw/zinc/68/80/60/545688060.db2.gz ZIKKYTVVJNCMMT-CYBMUJFWSA-N 1 3 341.456 -1.290 20 0 EAADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000358094299 545689411 /nfs/dbraw/zinc/68/94/11/545689411.db2.gz ZIKKYTVVJNCMMT-ZDUSSCGKSA-N 1 3 341.456 -1.290 20 0 EAADHO CN(C)CCN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000358094299 545689405 /nfs/dbraw/zinc/68/94/05/545689405.db2.gz ZIKKYTVVJNCMMT-ZDUSSCGKSA-N 1 3 341.456 -1.290 20 0 EAADHO CN1CC[C@](O)(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715969 265024186 /nfs/dbraw/zinc/02/41/86/265024186.db2.gz HVIAFRNASKFUGY-BBRMVZONSA-N 1 3 341.456 -1.060 20 0 EAADHO CN1CC[C@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715969 265024185 /nfs/dbraw/zinc/02/41/85/265024185.db2.gz HVIAFRNASKFUGY-BBRMVZONSA-N 1 3 341.456 -1.060 20 0 EAADHO CN1CC[C@](O)(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715976 415109992 /nfs/dbraw/zinc/10/99/92/415109992.db2.gz HVIAFRNASKFUGY-CJNGLKHVSA-N 1 3 341.456 -1.060 20 0 EAADHO CN1CC[C@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715976 415109985 /nfs/dbraw/zinc/10/99/85/415109985.db2.gz HVIAFRNASKFUGY-CJNGLKHVSA-N 1 3 341.456 -1.060 20 0 EAADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715982 415111455 /nfs/dbraw/zinc/11/14/55/415111455.db2.gz HVIAFRNASKFUGY-CZUORRHYSA-N 1 3 341.456 -1.060 20 0 EAADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715982 415111451 /nfs/dbraw/zinc/11/14/51/415111451.db2.gz HVIAFRNASKFUGY-CZUORRHYSA-N 1 3 341.456 -1.060 20 0 EAADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715988 265150360 /nfs/dbraw/zinc/15/03/60/265150360.db2.gz HVIAFRNASKFUGY-XJKSGUPXSA-N 1 3 341.456 -1.060 20 0 EAADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715988 265150357 /nfs/dbraw/zinc/15/03/57/265150357.db2.gz HVIAFRNASKFUGY-XJKSGUPXSA-N 1 3 341.456 -1.060 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CCN[C@H](C)C3)CC[NH2+]C2)CCN1 ZINC000364601097 265274907 /nfs/dbraw/zinc/27/49/07/265274907.db2.gz NWFQERLHKKNEMV-CKEIUWERSA-N 1 3 337.468 -1.003 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CCN[C@H](C)C3)CC[NH2+]C2)CCN1 ZINC000364601100 265105373 /nfs/dbraw/zinc/10/53/73/265105373.db2.gz NWFQERLHKKNEMV-CPUCHLNUSA-N 1 3 337.468 -1.003 20 0 EAADHO CN(C)C1(CNC(=O)C(=O)N(CC[NH3+])CCO)Cc2ccccc2C1 ZINC000419378952 415166213 /nfs/dbraw/zinc/16/62/13/415166213.db2.gz WBMUVFDIHRXANG-UHFFFAOYSA-N 1 3 348.447 -1.019 20 0 EAADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419406722 374832196 /nfs/dbraw/zinc/83/21/96/374832196.db2.gz JBAUCETZLCGDOL-AWEZNQCLSA-N 1 3 325.457 -1.144 20 0 EAADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419406724 265041908 /nfs/dbraw/zinc/04/19/08/265041908.db2.gz JBAUCETZLCGDOL-CQSZACIVSA-N 1 3 325.457 -1.144 20 0 EAADHO CC1CCN(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419419665 265336611 /nfs/dbraw/zinc/33/66/11/265336611.db2.gz ZLKMNBHNDQOECU-UHFFFAOYSA-N 1 3 325.457 -1.144 20 0 EAADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419429378 265294148 /nfs/dbraw/zinc/29/41/48/265294148.db2.gz UOPSEIXVDMIVRK-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419429379 415166838 /nfs/dbraw/zinc/16/68/38/415166838.db2.gz UOPSEIXVDMIVRK-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419597037 265122912 /nfs/dbraw/zinc/12/29/12/265122912.db2.gz ZLNCMKZGGHGZLN-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419597038 415166325 /nfs/dbraw/zinc/16/63/25/415166325.db2.gz ZLNCMKZGGHGZLN-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419738609 265323769 /nfs/dbraw/zinc/32/37/69/265323769.db2.gz UWNLKQNWVLJXBZ-CYBMUJFWSA-N 1 3 341.456 -1.242 20 0 EAADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419738612 415166101 /nfs/dbraw/zinc/16/61/01/415166101.db2.gz UWNLKQNWVLJXBZ-ZDUSSCGKSA-N 1 3 341.456 -1.242 20 0 EAADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782774 265330186 /nfs/dbraw/zinc/33/01/86/265330186.db2.gz USRCYUVQRRNQSB-NEPJUHHUSA-N 1 3 330.429 -1.090 20 0 EAADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782775 374833684 /nfs/dbraw/zinc/83/36/84/374833684.db2.gz USRCYUVQRRNQSB-NWDGAFQWSA-N 1 3 330.429 -1.090 20 0 EAADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782776 265109719 /nfs/dbraw/zinc/10/97/19/265109719.db2.gz USRCYUVQRRNQSB-RYUDHWBXSA-N 1 3 330.429 -1.090 20 0 EAADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000419782778 415166285 /nfs/dbraw/zinc/16/62/85/415166285.db2.gz USRCYUVQRRNQSB-VXGBXAGGSA-N 1 3 330.429 -1.090 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419835819 265087154 /nfs/dbraw/zinc/08/71/54/265087154.db2.gz WQYDDCAXOPMOFJ-UHFFFAOYSA-N 1 3 327.429 -1.536 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419844153 265115559 /nfs/dbraw/zinc/11/55/59/265115559.db2.gz KXDRHLRKOJABPD-UHFFFAOYSA-N 1 3 341.456 -1.275 20 0 EAADHO C[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419846001 374834530 /nfs/dbraw/zinc/83/45/30/374834530.db2.gz GJKLEHHILLPDHJ-UHFFFAOYSA-N 1 3 339.440 -1.521 20 0 EAADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863524 415164169 /nfs/dbraw/zinc/16/41/69/415164169.db2.gz HSCDMGNJDGYVHL-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863529 374835592 /nfs/dbraw/zinc/83/55/92/374835592.db2.gz HSCDMGNJDGYVHL-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO CC(C)N1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419864352 415165777 /nfs/dbraw/zinc/16/57/77/415165777.db2.gz INTBCDWAXMEMBA-UHFFFAOYSA-N 1 3 325.457 -1.050 20 0 EAADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419869607 415166524 /nfs/dbraw/zinc/16/65/24/415166524.db2.gz ITENGNCRXSHLNN-UHFFFAOYSA-N 1 3 339.440 -1.521 20 0 EAADHO CN(C)C1(CN(C)C(=O)C(=O)NCCN2CC[NH2+]CC2)CCC1 ZINC000419869898 265250180 /nfs/dbraw/zinc/25/01/80/265250180.db2.gz NNAXQWHIACTPLR-UHFFFAOYSA-N 1 3 325.457 -1.050 20 0 EAADHO CCN(CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C1CC1 ZINC000419870990 265157341 /nfs/dbraw/zinc/15/73/41/265157341.db2.gz PDUWXMTXEOCUKM-UHFFFAOYSA-N 1 3 325.457 -1.002 20 0 EAADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419871681 265118838 /nfs/dbraw/zinc/11/88/38/265118838.db2.gz KSVYFYOQSHPTJK-CYBMUJFWSA-N 1 3 339.440 -1.523 20 0 EAADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419871683 265245278 /nfs/dbraw/zinc/24/52/78/265245278.db2.gz KSVYFYOQSHPTJK-ZDUSSCGKSA-N 1 3 339.440 -1.523 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419877711 415165676 /nfs/dbraw/zinc/16/56/76/415165676.db2.gz YJZGACZOBCXCLX-CYBMUJFWSA-N 1 3 339.440 -1.523 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419877713 415166451 /nfs/dbraw/zinc/16/64/51/415166451.db2.gz YJZGACZOBCXCLX-ZDUSSCGKSA-N 1 3 339.440 -1.523 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419879132 374835728 /nfs/dbraw/zinc/83/57/28/374835728.db2.gz SPRZGYQLOIOBGQ-UHFFFAOYSA-N 1 3 327.429 -1.665 20 0 EAADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000419888375 415166247 /nfs/dbraw/zinc/16/62/47/415166247.db2.gz JTXBZIIFEWKJEN-UHFFFAOYSA-N 1 3 341.456 -1.275 20 0 EAADHO COCCN(CCN(C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419892849 374834984 /nfs/dbraw/zinc/83/49/84/374834984.db2.gz VCSLVGUQXXZHPP-UHFFFAOYSA-N 1 3 329.445 -1.956 20 0 EAADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419935326 374835383 /nfs/dbraw/zinc/83/53/83/374835383.db2.gz CKLLKHXSUFNQGZ-CYBMUJFWSA-N 1 3 339.440 -1.536 20 0 EAADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419935328 374835059 /nfs/dbraw/zinc/83/50/59/374835059.db2.gz CKLLKHXSUFNQGZ-ZDUSSCGKSA-N 1 3 339.440 -1.536 20 0 EAADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419938157 265125599 /nfs/dbraw/zinc/12/55/99/265125599.db2.gz HKXSPHUWIMSPOW-CHWSQXEVSA-N 1 3 339.440 -1.538 20 0 EAADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419938158 264995578 /nfs/dbraw/zinc/99/55/78/264995578.db2.gz HKXSPHUWIMSPOW-OLZOCXBDSA-N 1 3 339.440 -1.538 20 0 EAADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419938159 265247248 /nfs/dbraw/zinc/24/72/48/265247248.db2.gz HKXSPHUWIMSPOW-QWHCGFSZSA-N 1 3 339.440 -1.538 20 0 EAADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419938160 265252652 /nfs/dbraw/zinc/25/26/52/265252652.db2.gz HKXSPHUWIMSPOW-STQMWFEESA-N 1 3 339.440 -1.538 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419958357 265378753 /nfs/dbraw/zinc/37/87/53/265378753.db2.gz QGBMOSURJORXLW-CYBMUJFWSA-N 1 3 341.456 -1.290 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419958363 265128584 /nfs/dbraw/zinc/12/85/84/265128584.db2.gz QGBMOSURJORXLW-ZDUSSCGKSA-N 1 3 341.456 -1.290 20 0 EAADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419989767 374835923 /nfs/dbraw/zinc/83/59/23/374835923.db2.gz JKFIGBQIWCCMJW-CYBMUJFWSA-N 1 3 339.440 -1.394 20 0 EAADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419989769 265291854 /nfs/dbraw/zinc/29/18/54/265291854.db2.gz JKFIGBQIWCCMJW-ZDUSSCGKSA-N 1 3 339.440 -1.394 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419993447 265285091 /nfs/dbraw/zinc/28/50/91/265285091.db2.gz KJMHRCBVAONHFI-CYBMUJFWSA-N 1 3 341.456 -1.148 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419993449 415170404 /nfs/dbraw/zinc/17/04/04/415170404.db2.gz KJMHRCBVAONHFI-ZDUSSCGKSA-N 1 3 341.456 -1.148 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420013437 415164329 /nfs/dbraw/zinc/16/43/29/415164329.db2.gz LDDRURPUXXWHDQ-GFCCVEGCSA-N 1 3 327.429 -1.538 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420015108 265392838 /nfs/dbraw/zinc/39/28/38/265392838.db2.gz LDDRURPUXXWHDQ-LBPRGKRZSA-N 1 3 327.429 -1.538 20 0 EAADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420056885 415169283 /nfs/dbraw/zinc/16/92/83/415169283.db2.gz MTZSRFFJJHRZSE-UHFFFAOYSA-N 1 3 339.440 -1.394 20 0 EAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420065182 415171563 /nfs/dbraw/zinc/17/15/63/415171563.db2.gz XEOLDUUHTAKQAE-GFCCVEGCSA-N 1 3 339.440 -1.395 20 0 EAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420065184 265158507 /nfs/dbraw/zinc/15/85/07/265158507.db2.gz XEOLDUUHTAKQAE-LBPRGKRZSA-N 1 3 339.440 -1.395 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420084371 415172083 /nfs/dbraw/zinc/17/20/83/415172083.db2.gz YKELEKKKKBZRDF-UHFFFAOYSA-N 1 3 341.456 -1.148 20 0 EAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420213135 415169626 /nfs/dbraw/zinc/16/96/26/415169626.db2.gz YLSNGTHZSFOZTG-KBPBESRZSA-N 1 3 342.440 -1.340 20 0 EAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420213137 415168146 /nfs/dbraw/zinc/16/81/46/415168146.db2.gz YLSNGTHZSFOZTG-KGLIPLIRSA-N 1 3 342.440 -1.340 20 0 EAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420213141 374836745 /nfs/dbraw/zinc/83/67/45/374836745.db2.gz YLSNGTHZSFOZTG-UONOGXRCSA-N 1 3 342.440 -1.340 20 0 EAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420213143 265017727 /nfs/dbraw/zinc/01/77/27/265017727.db2.gz YLSNGTHZSFOZTG-ZIAGYGMSSA-N 1 3 342.440 -1.340 20 0 EAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423217125 374855626 /nfs/dbraw/zinc/85/56/26/374855626.db2.gz SYCMXHSDISIEKL-KBPBESRZSA-N 1 3 342.440 -1.258 20 0 EAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423217126 265147184 /nfs/dbraw/zinc/14/71/84/265147184.db2.gz SYCMXHSDISIEKL-KGLIPLIRSA-N 1 3 342.440 -1.258 20 0 EAADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423217127 264963811 /nfs/dbraw/zinc/96/38/11/264963811.db2.gz SYCMXHSDISIEKL-UONOGXRCSA-N 1 3 342.440 -1.258 20 0 EAADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423217128 374856630 /nfs/dbraw/zinc/85/66/30/374856630.db2.gz SYCMXHSDISIEKL-ZIAGYGMSSA-N 1 3 342.440 -1.258 20 0 EAADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423244169 414861512 /nfs/dbraw/zinc/86/15/12/414861512.db2.gz HJHUQGMCXPWOIO-UHFFFAOYSA-N 1 3 339.440 -1.569 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423246885 415178446 /nfs/dbraw/zinc/17/84/46/415178446.db2.gz KLFKAUIYFHHKAT-CYBMUJFWSA-N 1 3 339.440 -1.441 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423246886 415178016 /nfs/dbraw/zinc/17/80/16/415178016.db2.gz KLFKAUIYFHHKAT-ZDUSSCGKSA-N 1 3 339.440 -1.441 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423248056 265162229 /nfs/dbraw/zinc/16/22/29/265162229.db2.gz MIHNJLNNULPMGZ-UHFFFAOYSA-N 1 3 341.456 -1.323 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423249674 264686644 /nfs/dbraw/zinc/68/66/44/264686644.db2.gz PJUCDEUASISFNU-UHFFFAOYSA-N 1 3 327.429 -1.584 20 0 EAADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423253120 265370339 /nfs/dbraw/zinc/37/03/39/265370339.db2.gz VDRFQHUMRRYLQG-CYBMUJFWSA-N 1 3 337.424 -1.687 20 0 EAADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423253121 265066655 /nfs/dbraw/zinc/06/66/55/265066655.db2.gz VDRFQHUMRRYLQG-ZDUSSCGKSA-N 1 3 337.424 -1.687 20 0 EAADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423259942 374856984 /nfs/dbraw/zinc/85/69/84/374856984.db2.gz GFJQYGSQKAFQEV-AWEZNQCLSA-N 1 3 344.456 -1.011 20 0 EAADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423259943 265306619 /nfs/dbraw/zinc/30/66/19/265306619.db2.gz GFJQYGSQKAFQEV-CQSZACIVSA-N 1 3 344.456 -1.011 20 0 EAADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000423501806 265225973 /nfs/dbraw/zinc/22/59/73/265225973.db2.gz DUWCOBIDTHDHBL-CYBMUJFWSA-N 1 3 339.440 -1.571 20 0 EAADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000423501807 414866909 /nfs/dbraw/zinc/86/69/09/414866909.db2.gz DUWCOBIDTHDHBL-ZDUSSCGKSA-N 1 3 339.440 -1.571 20 0 EAADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423718644 415186281 /nfs/dbraw/zinc/18/62/81/415186281.db2.gz LMHPDCZCMKRSOH-CYBMUJFWSA-N 1 3 339.440 -1.441 20 0 EAADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423718645 265194564 /nfs/dbraw/zinc/19/45/64/265194564.db2.gz LMHPDCZCMKRSOH-ZDUSSCGKSA-N 1 3 339.440 -1.441 20 0 EAADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000423728548 265042261 /nfs/dbraw/zinc/04/22/61/265042261.db2.gz WBWOLYDAWFHJPM-CHWSQXEVSA-N 1 3 339.440 -1.443 20 0 EAADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000423728554 265208981 /nfs/dbraw/zinc/20/89/81/265208981.db2.gz WBWOLYDAWFHJPM-OLZOCXBDSA-N 1 3 339.440 -1.443 20 0 EAADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000423728557 415184762 /nfs/dbraw/zinc/18/47/62/415184762.db2.gz WBWOLYDAWFHJPM-QWHCGFSZSA-N 1 3 339.440 -1.443 20 0 EAADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000423728560 415184250 /nfs/dbraw/zinc/18/42/50/415184250.db2.gz WBWOLYDAWFHJPM-STQMWFEESA-N 1 3 339.440 -1.443 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423731668 265006003 /nfs/dbraw/zinc/00/60/03/265006003.db2.gz ZKZMLGHGKAMYKA-CYBMUJFWSA-N 1 3 341.456 -1.195 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423731669 265139788 /nfs/dbraw/zinc/13/97/88/265139788.db2.gz ZKZMLGHGKAMYKA-ZDUSSCGKSA-N 1 3 341.456 -1.195 20 0 EAADHO CN(CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000424563706 265215028 /nfs/dbraw/zinc/21/50/28/265215028.db2.gz ZVMGBEQYTSWAJN-UONOGXRCSA-N 1 3 334.424 -1.116 20 0 EAADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000430614646 265300426 /nfs/dbraw/zinc/30/04/26/265300426.db2.gz ZPLXLCLYJQZLLZ-UHFFFAOYSA-N 1 3 325.457 -1.111 20 0 EAADHO CN(C)CCn1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000446790283 545714788 /nfs/dbraw/zinc/71/47/88/545714788.db2.gz OFRUJTVVOINCHU-UHFFFAOYSA-N 1 3 345.407 -0.572 20 0 EAADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)NC ZINC000448855264 374929570 /nfs/dbraw/zinc/92/95/70/374929570.db2.gz XTDMVSGLNVIBAC-CYBMUJFWSA-N 1 3 349.501 -1.085 20 0 EAADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)NC ZINC000448855264 374929564 /nfs/dbraw/zinc/92/95/64/374929564.db2.gz XTDMVSGLNVIBAC-CYBMUJFWSA-N 1 3 349.501 -1.085 20 0 EAADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)NC ZINC000448855272 265157786 /nfs/dbraw/zinc/15/77/86/265157786.db2.gz XTDMVSGLNVIBAC-ZDUSSCGKSA-N 1 3 349.501 -1.085 20 0 EAADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)NC ZINC000448855272 265157781 /nfs/dbraw/zinc/15/77/81/265157781.db2.gz XTDMVSGLNVIBAC-ZDUSSCGKSA-N 1 3 349.501 -1.085 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1C ZINC000514780238 415190955 /nfs/dbraw/zinc/19/09/55/415190955.db2.gz XOMRXGSTUNDDFT-CYBMUJFWSA-N 1 3 341.456 -1.373 20 0 EAADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1C ZINC000514780239 265069209 /nfs/dbraw/zinc/06/92/09/265069209.db2.gz XOMRXGSTUNDDFT-ZDUSSCGKSA-N 1 3 341.456 -1.373 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000516065926 265294778 /nfs/dbraw/zinc/29/47/78/265294778.db2.gz YTDIYODQQYRRMM-AAEUAGOBSA-N 1 3 327.429 -1.601 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000516065927 265119941 /nfs/dbraw/zinc/11/99/41/265119941.db2.gz YTDIYODQQYRRMM-YPMHNXCESA-N 1 3 327.429 -1.601 20 0 EAADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516492522 415190069 /nfs/dbraw/zinc/19/00/69/415190069.db2.gz MKDBVYXGPVZNRM-CHWSQXEVSA-N 1 3 339.440 -1.395 20 0 EAADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516492522 415190061 /nfs/dbraw/zinc/19/00/61/415190061.db2.gz MKDBVYXGPVZNRM-CHWSQXEVSA-N 1 3 339.440 -1.395 20 0 EAADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516492523 265123339 /nfs/dbraw/zinc/12/33/39/265123339.db2.gz MKDBVYXGPVZNRM-OLZOCXBDSA-N 1 3 339.440 -1.395 20 0 EAADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516492524 374889269 /nfs/dbraw/zinc/88/92/69/374889269.db2.gz MKDBVYXGPVZNRM-QWHCGFSZSA-N 1 3 339.440 -1.395 20 0 EAADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516492524 374889262 /nfs/dbraw/zinc/88/92/62/374889262.db2.gz MKDBVYXGPVZNRM-QWHCGFSZSA-N 1 3 339.440 -1.395 20 0 EAADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516492525 265052872 /nfs/dbraw/zinc/05/28/72/265052872.db2.gz MKDBVYXGPVZNRM-STQMWFEESA-N 1 3 339.440 -1.395 20 0 EAADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516492525 265052869 /nfs/dbraw/zinc/05/28/69/265052869.db2.gz MKDBVYXGPVZNRM-STQMWFEESA-N 1 3 339.440 -1.395 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000517394148 374981005 /nfs/dbraw/zinc/98/10/05/374981005.db2.gz CFMFYNMLMYNSFR-NEPJUHHUSA-N 1 3 341.412 -2.549 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000517394159 265197254 /nfs/dbraw/zinc/19/72/54/265197254.db2.gz CFMFYNMLMYNSFR-NWDGAFQWSA-N 1 3 341.412 -2.549 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000517394161 415256970 /nfs/dbraw/zinc/25/69/70/415256970.db2.gz CFMFYNMLMYNSFR-RYUDHWBXSA-N 1 3 341.412 -2.549 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000517394163 415256453 /nfs/dbraw/zinc/25/64/53/415256453.db2.gz CFMFYNMLMYNSFR-VXGBXAGGSA-N 1 3 341.412 -2.549 20 0 EAADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000518499964 265076276 /nfs/dbraw/zinc/07/62/76/265076276.db2.gz GHATVCXTMMUZKG-AWEZNQCLSA-N 1 3 339.440 -1.076 20 0 EAADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000518499965 265098936 /nfs/dbraw/zinc/09/89/36/265098936.db2.gz GHATVCXTMMUZKG-CQSZACIVSA-N 1 3 339.440 -1.076 20 0 EAADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518797620 414912068 /nfs/dbraw/zinc/91/20/68/414912068.db2.gz BERFAJZWNGZLQP-CHWSQXEVSA-N 1 3 339.440 -1.395 20 0 EAADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518797620 414912064 /nfs/dbraw/zinc/91/20/64/414912064.db2.gz BERFAJZWNGZLQP-CHWSQXEVSA-N 1 3 339.440 -1.395 20 0 EAADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000518797621 265110553 /nfs/dbraw/zinc/11/05/53/265110553.db2.gz BERFAJZWNGZLQP-OLZOCXBDSA-N 1 3 339.440 -1.395 20 0 EAADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000518797621 265110546 /nfs/dbraw/zinc/11/05/46/265110546.db2.gz BERFAJZWNGZLQP-OLZOCXBDSA-N 1 3 339.440 -1.395 20 0 EAADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518797622 265196990 /nfs/dbraw/zinc/19/69/90/265196990.db2.gz BERFAJZWNGZLQP-QWHCGFSZSA-N 1 3 339.440 -1.395 20 0 EAADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518797622 265196986 /nfs/dbraw/zinc/19/69/86/265196986.db2.gz BERFAJZWNGZLQP-QWHCGFSZSA-N 1 3 339.440 -1.395 20 0 EAADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518797623 414910529 /nfs/dbraw/zinc/91/05/29/414910529.db2.gz BERFAJZWNGZLQP-STQMWFEESA-N 1 3 339.440 -1.395 20 0 EAADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518797623 414910523 /nfs/dbraw/zinc/91/05/23/414910523.db2.gz BERFAJZWNGZLQP-STQMWFEESA-N 1 3 339.440 -1.395 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000521355947 265345094 /nfs/dbraw/zinc/34/50/94/265345094.db2.gz OHVNVGUZUGDMTL-GFCCVEGCSA-N 1 3 327.429 -1.715 20 0 EAADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000521355949 265068589 /nfs/dbraw/zinc/06/85/89/265068589.db2.gz OHVNVGUZUGDMTL-LBPRGKRZSA-N 1 3 327.429 -1.715 20 0 EAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000521859934 265194806 /nfs/dbraw/zinc/19/48/06/265194806.db2.gz AWCMUYYOBKROPS-KBPBESRZSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000521859934 265194802 /nfs/dbraw/zinc/19/48/02/265194802.db2.gz AWCMUYYOBKROPS-KBPBESRZSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000521859935 265044902 /nfs/dbraw/zinc/04/49/02/265044902.db2.gz AWCMUYYOBKROPS-KGLIPLIRSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000521859935 265044900 /nfs/dbraw/zinc/04/49/00/265044900.db2.gz AWCMUYYOBKROPS-KGLIPLIRSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000521859936 415260442 /nfs/dbraw/zinc/26/04/42/415260442.db2.gz AWCMUYYOBKROPS-UONOGXRCSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000521859936 415260436 /nfs/dbraw/zinc/26/04/36/415260436.db2.gz AWCMUYYOBKROPS-UONOGXRCSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000521859937 374983060 /nfs/dbraw/zinc/98/30/60/374983060.db2.gz AWCMUYYOBKROPS-ZIAGYGMSSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000521859937 374983058 /nfs/dbraw/zinc/98/30/58/374983058.db2.gz AWCMUYYOBKROPS-ZIAGYGMSSA-N 1 3 325.457 -1.112 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1C(=O)CNC1=O ZINC000525438461 414826410 /nfs/dbraw/zinc/82/64/10/414826410.db2.gz CNAAAOOOANERBF-UHFFFAOYSA-N 1 3 328.417 -1.327 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000531357678 414902797 /nfs/dbraw/zinc/90/27/97/414902797.db2.gz VEPQYKHTMBUCCC-UHFFFAOYSA-N 1 3 339.444 -1.068 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000539566987 375011339 /nfs/dbraw/zinc/01/13/39/375011339.db2.gz DPZDSKGIIPNFBS-UHFFFAOYSA-N 1 3 329.445 -1.020 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1CCNC(=O)C1 ZINC000542834879 375016819 /nfs/dbraw/zinc/01/68/19/375016819.db2.gz NHMRHAUWOLFYKC-UHFFFAOYSA-N 1 3 328.461 -1.447 20 0 EAADHO Cc1nc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C ZINC000551100241 415432309 /nfs/dbraw/zinc/43/23/09/415432309.db2.gz LVURAYJSVXPMQN-UHFFFAOYSA-N 1 3 325.417 -0.986 20 0 EAADHO CCN1CCN(CC(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)C1=O ZINC000551763096 375041209 /nfs/dbraw/zinc/04/12/09/375041209.db2.gz LUMGLMBFOMENRK-UHFFFAOYSA-N 1 3 341.456 -1.371 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000554517074 375047506 /nfs/dbraw/zinc/04/75/06/375047506.db2.gz ANXZPJKOASIBOE-CYBMUJFWSA-N 1 3 341.456 -1.325 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000554517075 375046988 /nfs/dbraw/zinc/04/69/88/375046988.db2.gz ANXZPJKOASIBOE-ZDUSSCGKSA-N 1 3 341.456 -1.325 20 0 EAADHO CCn1ncnc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000554672102 375047531 /nfs/dbraw/zinc/04/75/31/375047531.db2.gz ACNORBHKFOCIKT-UHFFFAOYSA-N 1 3 339.444 -1.134 20 0 EAADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000556564046 415425916 /nfs/dbraw/zinc/42/59/16/415425916.db2.gz LPOIXYPFAUJLNE-UHFFFAOYSA-N 1 3 338.412 -0.625 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCCO1 ZINC000556582117 374285374 /nfs/dbraw/zinc/28/53/74/374285374.db2.gz VTQHDCUEPKPXDE-CYBMUJFWSA-N 1 3 330.429 -1.530 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCCO1 ZINC000556582118 374285326 /nfs/dbraw/zinc/28/53/26/374285326.db2.gz VTQHDCUEPKPXDE-ZDUSSCGKSA-N 1 3 330.429 -1.530 20 0 EAADHO CCN1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000556795387 374284618 /nfs/dbraw/zinc/28/46/18/374284618.db2.gz RYMDYWYPJCSCAP-UHFFFAOYSA-N 1 3 341.456 -1.371 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H](CN)C1 ZINC000557246471 374290889 /nfs/dbraw/zinc/29/08/89/374290889.db2.gz ODQLOPXUADGUBD-KBPBESRZSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H](CN)C1 ZINC000557246471 374290881 /nfs/dbraw/zinc/29/08/81/374290881.db2.gz ODQLOPXUADGUBD-KBPBESRZSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H](CN)C1 ZINC000557246472 374290286 /nfs/dbraw/zinc/29/02/86/374290286.db2.gz ODQLOPXUADGUBD-KGLIPLIRSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H](CN)C1 ZINC000557246472 374290275 /nfs/dbraw/zinc/29/02/75/374290275.db2.gz ODQLOPXUADGUBD-KGLIPLIRSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](CN)C1 ZINC000557246473 374289707 /nfs/dbraw/zinc/28/97/07/374289707.db2.gz ODQLOPXUADGUBD-UONOGXRCSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H](CN)C1 ZINC000557246473 374289701 /nfs/dbraw/zinc/28/97/01/374289701.db2.gz ODQLOPXUADGUBD-UONOGXRCSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](CN)C1 ZINC000557246474 374289341 /nfs/dbraw/zinc/28/93/41/374289341.db2.gz ODQLOPXUADGUBD-ZIAGYGMSSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](CN)C1 ZINC000557246474 374289336 /nfs/dbraw/zinc/28/93/36/374289336.db2.gz ODQLOPXUADGUBD-ZIAGYGMSSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@H](Cn1cncn1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000560852800 374359905 /nfs/dbraw/zinc/35/99/05/374359905.db2.gz VGUJZXNYSCDFHH-CYBMUJFWSA-N 1 3 339.444 -1.265 20 0 EAADHO C[C@@H](Cn1cncn1)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000560852804 374360162 /nfs/dbraw/zinc/36/01/62/374360162.db2.gz VGUJZXNYSCDFHH-ZDUSSCGKSA-N 1 3 339.444 -1.265 20 0 EAADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000561256466 374365082 /nfs/dbraw/zinc/36/50/82/374365082.db2.gz ZEXILSQHXUOUFT-KBPBESRZSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000561256469 374365375 /nfs/dbraw/zinc/36/53/75/374365375.db2.gz ZEXILSQHXUOUFT-KGLIPLIRSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000561256470 374364859 /nfs/dbraw/zinc/36/48/59/374364859.db2.gz ZEXILSQHXUOUFT-UONOGXRCSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000561256472 374364381 /nfs/dbraw/zinc/36/43/81/374364381.db2.gz ZEXILSQHXUOUFT-ZIAGYGMSSA-N 1 3 325.457 -1.064 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000562093354 374370942 /nfs/dbraw/zinc/37/09/42/374370942.db2.gz UWLVVEVLLLCQSD-CYBMUJFWSA-N 1 3 341.456 -1.325 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000562093356 374372515 /nfs/dbraw/zinc/37/25/15/374372515.db2.gz UWLVVEVLLLCQSD-ZDUSSCGKSA-N 1 3 341.456 -1.325 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C[NH+]1CCCC1 ZINC000562825519 374375987 /nfs/dbraw/zinc/37/59/87/374375987.db2.gz VPHVAEXFPHBKOE-KBPBESRZSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C[NH+]1CCCC1 ZINC000562825520 374376270 /nfs/dbraw/zinc/37/62/70/374376270.db2.gz VPHVAEXFPHBKOE-KGLIPLIRSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)C[NH+]1CCCC1 ZINC000562825521 374377288 /nfs/dbraw/zinc/37/72/88/374377288.db2.gz VPHVAEXFPHBKOE-UONOGXRCSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)C[NH+]1CCCC1 ZINC000562825522 374377684 /nfs/dbraw/zinc/37/76/84/374377684.db2.gz VPHVAEXFPHBKOE-ZIAGYGMSSA-N 1 3 325.457 -1.064 20 0 EAADHO CNC(=O)CCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563147470 374546766 /nfs/dbraw/zinc/54/67/66/374546766.db2.gz CXXKKEKTNSPEFR-UHFFFAOYSA-N 1 3 329.445 -1.467 20 0 EAADHO O=C(CC[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1)N1CCNCC1 ZINC000563153079 374545828 /nfs/dbraw/zinc/54/58/28/374545828.db2.gz XTKWRWSYQVDVLE-HNNXBMFYSA-N 1 3 337.468 -1.048 20 0 EAADHO O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1)N1CCNCC1 ZINC000563153079 374545823 /nfs/dbraw/zinc/54/58/23/374545823.db2.gz XTKWRWSYQVDVLE-HNNXBMFYSA-N 1 3 337.468 -1.048 20 0 EAADHO O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CCNCC1 ZINC000563153106 374546807 /nfs/dbraw/zinc/54/68/07/374546807.db2.gz XTKWRWSYQVDVLE-OAHLLOKOSA-N 1 3 337.468 -1.048 20 0 EAADHO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CCNCC1 ZINC000563153106 374546805 /nfs/dbraw/zinc/54/68/05/374546805.db2.gz XTKWRWSYQVDVLE-OAHLLOKOSA-N 1 3 337.468 -1.048 20 0 EAADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563454775 374596040 /nfs/dbraw/zinc/59/60/40/374596040.db2.gz PDJJNGZUVOOSFC-CABNGKKXSA-N 1 3 349.435 -1.644 20 0 EAADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563454791 374596450 /nfs/dbraw/zinc/59/64/50/374596450.db2.gz PDJJNGZUVOOSFC-SAXRGWBVSA-N 1 3 349.435 -1.644 20 0 EAADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563454793 374595969 /nfs/dbraw/zinc/59/59/69/374595969.db2.gz PDJJNGZUVOOSFC-ZRJCITRHSA-N 1 3 349.435 -1.644 20 0 EAADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563454794 374596295 /nfs/dbraw/zinc/59/62/95/374596295.db2.gz PDJJNGZUVOOSFC-ZZVYKPCYSA-N 1 3 349.435 -1.644 20 0 EAADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563549515 374596172 /nfs/dbraw/zinc/59/61/72/374596172.db2.gz ZIJLYXZGHSZEJJ-AVGNSLFASA-N 1 3 339.440 -1.397 20 0 EAADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563549516 374598541 /nfs/dbraw/zinc/59/85/41/374598541.db2.gz ZIJLYXZGHSZEJJ-RWMBFGLXSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563549517 374598182 /nfs/dbraw/zinc/59/81/82/374598182.db2.gz ZIJLYXZGHSZEJJ-XQQFMLRXSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563549518 374598940 /nfs/dbraw/zinc/59/89/40/374598940.db2.gz ZIJLYXZGHSZEJJ-YNEHKIRRSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563638047 374598462 /nfs/dbraw/zinc/59/84/62/374598462.db2.gz RIVWCCXXKVHILK-NEPJUHHUSA-N 1 3 325.413 -1.785 20 0 EAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563638067 374597283 /nfs/dbraw/zinc/59/72/83/374597283.db2.gz RIVWCCXXKVHILK-NWDGAFQWSA-N 1 3 325.413 -1.785 20 0 EAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563638068 374598446 /nfs/dbraw/zinc/59/84/46/374598446.db2.gz RIVWCCXXKVHILK-RYUDHWBXSA-N 1 3 325.413 -1.785 20 0 EAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563638069 374597442 /nfs/dbraw/zinc/59/74/42/374597442.db2.gz RIVWCCXXKVHILK-VXGBXAGGSA-N 1 3 325.413 -1.785 20 0 EAADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000563692338 374682992 /nfs/dbraw/zinc/68/29/92/374682992.db2.gz UYUXRCKFKFICGQ-AWEZNQCLSA-N 1 3 325.457 -1.064 20 0 EAADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000563692364 374684115 /nfs/dbraw/zinc/68/41/15/374684115.db2.gz UYUXRCKFKFICGQ-CQSZACIVSA-N 1 3 325.457 -1.064 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000563875934 374691673 /nfs/dbraw/zinc/69/16/73/374691673.db2.gz HFZMAVKAMCVBQN-UHFFFAOYSA-N 1 3 325.413 -1.913 20 0 EAADHO CN1CCC(C[NH2+]CCC(=O)NC(N)=O)(N2CCOCC2)CC1 ZINC000564856069 374295370 /nfs/dbraw/zinc/29/53/70/374295370.db2.gz JXSDQLDOZVJKHJ-UHFFFAOYSA-N 1 3 327.429 -1.042 20 0 EAADHO COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565252961 375057392 /nfs/dbraw/zinc/05/73/92/375057392.db2.gz FZXQPRSXCZPEJE-CHWSQXEVSA-N 1 3 327.429 -1.092 20 0 EAADHO COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565252961 375057389 /nfs/dbraw/zinc/05/73/89/375057389.db2.gz FZXQPRSXCZPEJE-CHWSQXEVSA-N 1 3 327.429 -1.092 20 0 EAADHO COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565252962 375057053 /nfs/dbraw/zinc/05/70/53/375057053.db2.gz FZXQPRSXCZPEJE-OLZOCXBDSA-N 1 3 327.429 -1.092 20 0 EAADHO COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565252962 375057046 /nfs/dbraw/zinc/05/70/46/375057046.db2.gz FZXQPRSXCZPEJE-OLZOCXBDSA-N 1 3 327.429 -1.092 20 0 EAADHO COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565252963 375057574 /nfs/dbraw/zinc/05/75/74/375057574.db2.gz FZXQPRSXCZPEJE-QWHCGFSZSA-N 1 3 327.429 -1.092 20 0 EAADHO COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565252963 375057566 /nfs/dbraw/zinc/05/75/66/375057566.db2.gz FZXQPRSXCZPEJE-QWHCGFSZSA-N 1 3 327.429 -1.092 20 0 EAADHO COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565252964 375057846 /nfs/dbraw/zinc/05/78/46/375057846.db2.gz FZXQPRSXCZPEJE-STQMWFEESA-N 1 3 327.429 -1.092 20 0 EAADHO COCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565252964 375057841 /nfs/dbraw/zinc/05/78/41/375057841.db2.gz FZXQPRSXCZPEJE-STQMWFEESA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000565941566 375060395 /nfs/dbraw/zinc/06/03/95/375060395.db2.gz TWLVDZXGGMGHJZ-CYBMUJFWSA-N 1 3 329.445 -1.828 20 0 EAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000565941566 375060389 /nfs/dbraw/zinc/06/03/89/375060389.db2.gz TWLVDZXGGMGHJZ-CYBMUJFWSA-N 1 3 329.445 -1.828 20 0 EAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000565941567 375060014 /nfs/dbraw/zinc/06/00/14/375060014.db2.gz TWLVDZXGGMGHJZ-ZDUSSCGKSA-N 1 3 329.445 -1.828 20 0 EAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000565941567 375060002 /nfs/dbraw/zinc/06/00/02/375060002.db2.gz TWLVDZXGGMGHJZ-ZDUSSCGKSA-N 1 3 329.445 -1.828 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511209 375066422 /nfs/dbraw/zinc/06/64/22/375066422.db2.gz MEHDZBLTAHZQSB-AAVRWANBSA-N 1 3 349.435 -1.500 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511209 375066420 /nfs/dbraw/zinc/06/64/20/375066420.db2.gz MEHDZBLTAHZQSB-AAVRWANBSA-N 1 3 349.435 -1.500 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511210 375066308 /nfs/dbraw/zinc/06/63/08/375066308.db2.gz MEHDZBLTAHZQSB-MQYQWHSLSA-N 1 3 349.435 -1.500 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511210 375066305 /nfs/dbraw/zinc/06/63/05/375066305.db2.gz MEHDZBLTAHZQSB-MQYQWHSLSA-N 1 3 349.435 -1.500 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511211 375066248 /nfs/dbraw/zinc/06/62/48/375066248.db2.gz MEHDZBLTAHZQSB-SYQHCUMBSA-N 1 3 349.435 -1.500 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511211 375066245 /nfs/dbraw/zinc/06/62/45/375066245.db2.gz MEHDZBLTAHZQSB-SYQHCUMBSA-N 1 3 349.435 -1.500 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511212 375066393 /nfs/dbraw/zinc/06/63/93/375066393.db2.gz MEHDZBLTAHZQSB-YIYPIFLZSA-N 1 3 349.435 -1.500 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511212 375066390 /nfs/dbraw/zinc/06/63/90/375066390.db2.gz MEHDZBLTAHZQSB-YIYPIFLZSA-N 1 3 349.435 -1.500 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000567026949 374377020 /nfs/dbraw/zinc/37/70/20/374377020.db2.gz AVFGLMBGAXKQNR-GFCCVEGCSA-N 1 3 343.428 -2.349 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000567026950 374379941 /nfs/dbraw/zinc/37/99/41/374379941.db2.gz AVFGLMBGAXKQNR-LBPRGKRZSA-N 1 3 343.428 -2.349 20 0 EAADHO CC1CCN(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000567337923 375070316 /nfs/dbraw/zinc/07/03/16/375070316.db2.gz LMPNOMCPZFVJMW-AWEZNQCLSA-N 1 3 325.457 -1.064 20 0 EAADHO CC1CCN(CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000567337924 375070332 /nfs/dbraw/zinc/07/03/32/375070332.db2.gz LMPNOMCPZFVJMW-CQSZACIVSA-N 1 3 325.457 -1.064 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCCC1=O ZINC000568161614 375078622 /nfs/dbraw/zinc/07/86/22/375078622.db2.gz FBJPHDKOBFDLRX-UHFFFAOYSA-N 1 3 341.456 -1.323 20 0 EAADHO CN(CCCN(C)C(=O)NCC(=O)N1CCNCC1)CC[NH+](C)C ZINC000569094008 375086946 /nfs/dbraw/zinc/08/69/46/375086946.db2.gz GDQRTCMEUGWXRV-UHFFFAOYSA-N 1 3 342.488 -1.057 20 0 EAADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC(=O)N1CCNCC1 ZINC000569094008 375086938 /nfs/dbraw/zinc/08/69/38/375086938.db2.gz GDQRTCMEUGWXRV-UHFFFAOYSA-N 1 3 342.488 -1.057 20 0 EAADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC(=O)N1CCNCC1 ZINC000569094008 375086923 /nfs/dbraw/zinc/08/69/23/375086923.db2.gz GDQRTCMEUGWXRV-UHFFFAOYSA-N 1 3 342.488 -1.057 20 0 EAADHO CNC(=O)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000569226954 375089254 /nfs/dbraw/zinc/08/92/54/375089254.db2.gz HCGXOLFGILRGOF-CYBMUJFWSA-N 1 3 341.456 -1.467 20 0 EAADHO CNC(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000569226965 375089432 /nfs/dbraw/zinc/08/94/32/375089432.db2.gz HCGXOLFGILRGOF-ZDUSSCGKSA-N 1 3 341.456 -1.467 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000569567113 374337954 /nfs/dbraw/zinc/33/79/54/374337954.db2.gz KYECGPHLIFQCNQ-UHFFFAOYSA-N 1 3 327.429 -1.761 20 0 EAADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1=O ZINC000569622892 374365262 /nfs/dbraw/zinc/36/52/62/374365262.db2.gz LNGWWGKJNRFRRK-AGIUHOORSA-N 1 3 337.424 -1.833 20 0 EAADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1=O ZINC000569622893 374365232 /nfs/dbraw/zinc/36/52/32/374365232.db2.gz LNGWWGKJNRFRRK-FRRDWIJNSA-N 1 3 337.424 -1.833 20 0 EAADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1=O ZINC000569622894 374365591 /nfs/dbraw/zinc/36/55/91/374365591.db2.gz LNGWWGKJNRFRRK-JHJVBQTASA-N 1 3 337.424 -1.833 20 0 EAADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1=O ZINC000569622895 374364697 /nfs/dbraw/zinc/36/46/97/374364697.db2.gz LNGWWGKJNRFRRK-UPJWGTAASA-N 1 3 337.424 -1.833 20 0 EAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000570827788 374405017 /nfs/dbraw/zinc/40/50/17/374405017.db2.gz ZXEBPPPGBQLNHN-ZDUSSCGKSA-N 1 3 337.424 -1.769 20 0 EAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571582988 374611031 /nfs/dbraw/zinc/61/10/31/374611031.db2.gz PFTKTARPCSKBIG-GRYCIOLGSA-N 1 3 325.413 -1.787 20 0 EAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571582989 374610997 /nfs/dbraw/zinc/61/09/97/374610997.db2.gz PFTKTARPCSKBIG-IJLUTSLNSA-N 1 3 325.413 -1.787 20 0 EAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571582990 374611542 /nfs/dbraw/zinc/61/15/42/374611542.db2.gz PFTKTARPCSKBIG-UTUOFQBUSA-N 1 3 325.413 -1.787 20 0 EAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571582991 374612655 /nfs/dbraw/zinc/61/26/55/374612655.db2.gz PFTKTARPCSKBIG-WOPDTQHZSA-N 1 3 325.413 -1.787 20 0 EAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000571703035 374838142 /nfs/dbraw/zinc/83/81/42/374838142.db2.gz VTSLHALGTKJDAD-CYBMUJFWSA-N 1 3 341.456 -1.148 20 0 EAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000571703036 374838778 /nfs/dbraw/zinc/83/87/78/374838778.db2.gz VTSLHALGTKJDAD-ZDUSSCGKSA-N 1 3 341.456 -1.148 20 0 EAADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571820037 374839885 /nfs/dbraw/zinc/83/98/85/374839885.db2.gz AJCFLGFZRQRXCD-AVGNSLFASA-N 1 3 339.440 -1.397 20 0 EAADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571820037 374839883 /nfs/dbraw/zinc/83/98/83/374839883.db2.gz AJCFLGFZRQRXCD-AVGNSLFASA-N 1 3 339.440 -1.397 20 0 EAADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571820040 374840103 /nfs/dbraw/zinc/84/01/03/374840103.db2.gz AJCFLGFZRQRXCD-RWMBFGLXSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571820040 374840100 /nfs/dbraw/zinc/84/01/00/374840100.db2.gz AJCFLGFZRQRXCD-RWMBFGLXSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571820041 374840124 /nfs/dbraw/zinc/84/01/24/374840124.db2.gz AJCFLGFZRQRXCD-XQQFMLRXSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571820041 374840121 /nfs/dbraw/zinc/84/01/21/374840121.db2.gz AJCFLGFZRQRXCD-XQQFMLRXSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571820044 374839712 /nfs/dbraw/zinc/83/97/12/374839712.db2.gz AJCFLGFZRQRXCD-YNEHKIRRSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571820044 374839707 /nfs/dbraw/zinc/83/97/07/374839707.db2.gz AJCFLGFZRQRXCD-YNEHKIRRSA-N 1 3 339.440 -1.397 20 0 EAADHO CC(=O)NCCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000572285682 374845024 /nfs/dbraw/zinc/84/50/24/374845024.db2.gz AFTWLNORJQGOAM-UHFFFAOYSA-N 1 3 329.445 -1.467 20 0 EAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572543445 375047055 /nfs/dbraw/zinc/04/70/55/375047055.db2.gz IKNJPPBZMRJDTG-QWHCGFSZSA-N 1 3 337.424 -1.771 20 0 EAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572543446 375047819 /nfs/dbraw/zinc/04/78/19/375047819.db2.gz IKNJPPBZMRJDTG-STQMWFEESA-N 1 3 337.424 -1.771 20 0 EAADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)COC2CNC2)c1 ZINC000572880777 375089619 /nfs/dbraw/zinc/08/96/19/375089619.db2.gz NVGGYEMZPXPOAA-UHFFFAOYSA-N 1 3 328.394 -1.150 20 0 EAADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573267428 375093373 /nfs/dbraw/zinc/09/33/73/375093373.db2.gz HVDUDHPYNBALMW-AGIUHOORSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573267429 375093393 /nfs/dbraw/zinc/09/33/93/375093393.db2.gz HVDUDHPYNBALMW-FRRDWIJNSA-N 1 3 339.440 -1.397 20 0 EAADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573267430 375094700 /nfs/dbraw/zinc/09/47/00/375094700.db2.gz HVDUDHPYNBALMW-JHJVBQTASA-N 1 3 339.440 -1.397 20 0 EAADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573267431 375094352 /nfs/dbraw/zinc/09/43/52/375094352.db2.gz HVDUDHPYNBALMW-UPJWGTAASA-N 1 3 339.440 -1.397 20 0 EAADHO CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000573460480 375093818 /nfs/dbraw/zinc/09/38/18/375093818.db2.gz YDIXVVQQPREISB-CHWSQXEVSA-N 1 3 337.424 -1.643 20 0 EAADHO CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000573460480 375093811 /nfs/dbraw/zinc/09/38/11/375093811.db2.gz YDIXVVQQPREISB-CHWSQXEVSA-N 1 3 337.424 -1.643 20 0 EAADHO CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000573460484 375094996 /nfs/dbraw/zinc/09/49/96/375094996.db2.gz YDIXVVQQPREISB-OLZOCXBDSA-N 1 3 337.424 -1.643 20 0 EAADHO CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000573460484 375094988 /nfs/dbraw/zinc/09/49/88/375094988.db2.gz YDIXVVQQPREISB-OLZOCXBDSA-N 1 3 337.424 -1.643 20 0 EAADHO CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000573460486 375093677 /nfs/dbraw/zinc/09/36/77/375093677.db2.gz YDIXVVQQPREISB-QWHCGFSZSA-N 1 3 337.424 -1.643 20 0 EAADHO CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000573460486 375093670 /nfs/dbraw/zinc/09/36/70/375093670.db2.gz YDIXVVQQPREISB-QWHCGFSZSA-N 1 3 337.424 -1.643 20 0 EAADHO CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000573460488 375093607 /nfs/dbraw/zinc/09/36/07/375093607.db2.gz YDIXVVQQPREISB-STQMWFEESA-N 1 3 337.424 -1.643 20 0 EAADHO CC[N@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000573460488 375093599 /nfs/dbraw/zinc/09/35/99/375093599.db2.gz YDIXVVQQPREISB-STQMWFEESA-N 1 3 337.424 -1.643 20 0 EAADHO COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573625759 375095610 /nfs/dbraw/zinc/09/56/10/375095610.db2.gz FZEQQNITXKUBIH-CHWSQXEVSA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573625759 375095605 /nfs/dbraw/zinc/09/56/05/375095605.db2.gz FZEQQNITXKUBIH-CHWSQXEVSA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573625760 375096308 /nfs/dbraw/zinc/09/63/08/375096308.db2.gz FZEQQNITXKUBIH-OLZOCXBDSA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573625760 375096303 /nfs/dbraw/zinc/09/63/03/375096303.db2.gz FZEQQNITXKUBIH-OLZOCXBDSA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573625794 375096513 /nfs/dbraw/zinc/09/65/13/375096513.db2.gz FZEQQNITXKUBIH-QWHCGFSZSA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573625794 375096507 /nfs/dbraw/zinc/09/65/07/375096507.db2.gz FZEQQNITXKUBIH-QWHCGFSZSA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573625795 375096114 /nfs/dbraw/zinc/09/61/14/375096114.db2.gz FZEQQNITXKUBIH-STQMWFEESA-N 1 3 327.429 -1.092 20 0 EAADHO COCC[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573625795 375096107 /nfs/dbraw/zinc/09/61/07/375096107.db2.gz FZEQQNITXKUBIH-STQMWFEESA-N 1 3 327.429 -1.092 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000574652685 375101424 /nfs/dbraw/zinc/10/14/24/375101424.db2.gz VLVKCLQGKLUWQX-KGYLQXTDSA-N 1 3 337.424 -1.644 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000574652685 375101417 /nfs/dbraw/zinc/10/14/17/375101417.db2.gz VLVKCLQGKLUWQX-KGYLQXTDSA-N 1 3 337.424 -1.644 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000574652686 375100335 /nfs/dbraw/zinc/10/03/35/375100335.db2.gz VLVKCLQGKLUWQX-RAIGVLPGSA-N 1 3 337.424 -1.644 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@H+](C)C1CC1 ZINC000574652686 375100328 /nfs/dbraw/zinc/10/03/28/375100328.db2.gz VLVKCLQGKLUWQX-RAIGVLPGSA-N 1 3 337.424 -1.644 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000574652687 375099731 /nfs/dbraw/zinc/09/97/31/375099731.db2.gz VLVKCLQGKLUWQX-RTXFEEFZSA-N 1 3 337.424 -1.644 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@H+](C)C1CC1 ZINC000574652687 375099727 /nfs/dbraw/zinc/09/97/27/375099727.db2.gz VLVKCLQGKLUWQX-RTXFEEFZSA-N 1 3 337.424 -1.644 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000574652688 375100912 /nfs/dbraw/zinc/10/09/12/375100912.db2.gz VLVKCLQGKLUWQX-WXHSDQCUSA-N 1 3 337.424 -1.644 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000574652688 375100904 /nfs/dbraw/zinc/10/09/04/375100904.db2.gz VLVKCLQGKLUWQX-WXHSDQCUSA-N 1 3 337.424 -1.644 20 0 EAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC1 ZINC000575003836 374926628 /nfs/dbraw/zinc/92/66/28/374926628.db2.gz WQFOHKILONXQAN-NEPJUHHUSA-N 1 3 337.424 -1.643 20 0 EAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC1 ZINC000575003837 374927701 /nfs/dbraw/zinc/92/77/01/374927701.db2.gz WQFOHKILONXQAN-NWDGAFQWSA-N 1 3 337.424 -1.643 20 0 EAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC1 ZINC000575003838 374927496 /nfs/dbraw/zinc/92/74/96/374927496.db2.gz WQFOHKILONXQAN-RYUDHWBXSA-N 1 3 337.424 -1.643 20 0 EAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC1 ZINC000575003840 374927013 /nfs/dbraw/zinc/92/70/13/374927013.db2.gz WQFOHKILONXQAN-VXGBXAGGSA-N 1 3 337.424 -1.643 20 0 EAADHO COCCN1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000575138700 375103490 /nfs/dbraw/zinc/10/34/90/375103490.db2.gz JVSGGAMQMKCANP-AVGNSLFASA-N 1 3 325.413 -1.340 20 0 EAADHO COCCN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000575138701 375102389 /nfs/dbraw/zinc/10/23/89/375102389.db2.gz JVSGGAMQMKCANP-RWMBFGLXSA-N 1 3 325.413 -1.340 20 0 EAADHO COCCN1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000575138702 375102754 /nfs/dbraw/zinc/10/27/54/375102754.db2.gz JVSGGAMQMKCANP-XQQFMLRXSA-N 1 3 325.413 -1.340 20 0 EAADHO COCCN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000575138703 375102524 /nfs/dbraw/zinc/10/25/24/375102524.db2.gz JVSGGAMQMKCANP-YNEHKIRRSA-N 1 3 325.413 -1.340 20 0 EAADHO COC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000576087132 375107127 /nfs/dbraw/zinc/10/71/27/375107127.db2.gz HRVPWCBLBSYXHB-AWEZNQCLSA-N 1 3 344.456 -1.188 20 0 EAADHO COC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000576087133 375107409 /nfs/dbraw/zinc/10/74/09/375107409.db2.gz HRVPWCBLBSYXHB-CQSZACIVSA-N 1 3 344.456 -1.188 20 0 EAADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000576701783 375111672 /nfs/dbraw/zinc/11/16/72/375111672.db2.gz CQDKOMJXCHLIKW-JTQLQIEISA-N 1 3 336.400 -1.589 20 0 EAADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000576701784 375111644 /nfs/dbraw/zinc/11/16/44/375111644.db2.gz CQDKOMJXCHLIKW-SNVBAGLBSA-N 1 3 336.400 -1.589 20 0 EAADHO COCC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]CC1 ZINC000576959132 375113380 /nfs/dbraw/zinc/11/33/80/375113380.db2.gz WPUZKWXSUSQTDI-CHWSQXEVSA-N 1 3 339.440 -1.044 20 0 EAADHO COCC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]CC1 ZINC000576959133 375113844 /nfs/dbraw/zinc/11/38/44/375113844.db2.gz WPUZKWXSUSQTDI-OLZOCXBDSA-N 1 3 339.440 -1.044 20 0 EAADHO COCC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]CC1 ZINC000576959134 375114630 /nfs/dbraw/zinc/11/46/30/375114630.db2.gz WPUZKWXSUSQTDI-QWHCGFSZSA-N 1 3 339.440 -1.044 20 0 EAADHO COCC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]CC1 ZINC000576959135 375114093 /nfs/dbraw/zinc/11/40/93/375114093.db2.gz WPUZKWXSUSQTDI-STQMWFEESA-N 1 3 339.440 -1.044 20 0 EAADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577232372 375117779 /nfs/dbraw/zinc/11/77/79/375117779.db2.gz BDSNINORMVMLRW-KBPBESRZSA-N 1 3 325.457 -1.146 20 0 EAADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577232373 375118660 /nfs/dbraw/zinc/11/86/60/375118660.db2.gz BDSNINORMVMLRW-KGLIPLIRSA-N 1 3 325.457 -1.146 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000577636621 375120785 /nfs/dbraw/zinc/12/07/85/375120785.db2.gz XVLNDMKHLCTHLO-DOMZBBRYSA-N 1 3 341.456 -1.068 20 0 EAADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000577636622 375120074 /nfs/dbraw/zinc/12/00/74/375120074.db2.gz XVLNDMKHLCTHLO-WFASDCNBSA-N 1 3 341.456 -1.068 20 0 EAADHO COc1cncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000578075117 414900830 /nfs/dbraw/zinc/90/08/30/414900830.db2.gz NNYXHUCZUIYJPB-UHFFFAOYSA-N 1 3 338.412 -0.625 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578348089 375127244 /nfs/dbraw/zinc/12/72/44/375127244.db2.gz HAXIAENETVUNJD-OKILXGFUSA-N 1 3 325.457 -1.384 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000578617395 375129415 /nfs/dbraw/zinc/12/94/15/375129415.db2.gz LRGUGKUGGDCMBZ-CYBMUJFWSA-N 1 3 329.445 -1.876 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000578617396 375129350 /nfs/dbraw/zinc/12/93/50/375129350.db2.gz LRGUGKUGGDCMBZ-ZDUSSCGKSA-N 1 3 329.445 -1.876 20 0 EAADHO COC[C@]1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000578645122 375130537 /nfs/dbraw/zinc/13/05/37/375130537.db2.gz ZGPUQYCJNYQILK-LALPHHSUSA-N 1 3 325.413 -1.292 20 0 EAADHO COC[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC[NH2+]1 ZINC000578645123 375129548 /nfs/dbraw/zinc/12/95/48/375129548.db2.gz ZGPUQYCJNYQILK-SLEUVZQESA-N 1 3 325.413 -1.292 20 0 EAADHO COC[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[NH2+]1 ZINC000578645124 375130255 /nfs/dbraw/zinc/13/02/55/375130255.db2.gz ZGPUQYCJNYQILK-TYNCELHUSA-N 1 3 325.413 -1.292 20 0 EAADHO COC[C@]1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC[NH2+]1 ZINC000578645125 375130133 /nfs/dbraw/zinc/13/01/33/375130133.db2.gz ZGPUQYCJNYQILK-YWPYICTPSA-N 1 3 325.413 -1.292 20 0 EAADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000579344134 375134150 /nfs/dbraw/zinc/13/41/50/375134150.db2.gz UCZPPXRRUGQFFC-CABCVRRESA-N 1 3 328.457 -1.144 20 0 EAADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000579344138 375134134 /nfs/dbraw/zinc/13/41/34/375134134.db2.gz UCZPPXRRUGQFFC-GJZGRUSLSA-N 1 3 328.457 -1.144 20 0 EAADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000579344140 375134110 /nfs/dbraw/zinc/13/41/10/375134110.db2.gz UCZPPXRRUGQFFC-HUUCEWRRSA-N 1 3 328.457 -1.144 20 0 EAADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000579344141 375134225 /nfs/dbraw/zinc/13/42/25/375134225.db2.gz UCZPPXRRUGQFFC-LSDHHAIUSA-N 1 3 328.457 -1.144 20 0 EAADHO CC(=O)N[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579699227 375135851 /nfs/dbraw/zinc/13/58/51/375135851.db2.gz RENKQRMACJMQGA-AWEZNQCLSA-N 1 3 341.456 -1.325 20 0 EAADHO CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579699230 375136091 /nfs/dbraw/zinc/13/60/91/375136091.db2.gz RENKQRMACJMQGA-CQSZACIVSA-N 1 3 341.456 -1.325 20 0 EAADHO CCN(C)C(=O)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580255306 374419983 /nfs/dbraw/zinc/41/99/83/374419983.db2.gz GROZUPCVYITBOZ-UHFFFAOYSA-N 1 3 329.445 -1.467 20 0 EAADHO CCN(C)C(=O)CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000580255306 374419977 /nfs/dbraw/zinc/41/99/77/374419977.db2.gz GROZUPCVYITBOZ-UHFFFAOYSA-N 1 3 329.445 -1.467 20 0 EAADHO CN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@@H](CN)C1 ZINC000581874602 375148641 /nfs/dbraw/zinc/14/86/41/375148641.db2.gz VMIVYHJNEDSDOI-AWEZNQCLSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@H](CN)C1 ZINC000581874603 375148946 /nfs/dbraw/zinc/14/89/46/375148946.db2.gz VMIVYHJNEDSDOI-CQSZACIVSA-N 1 3 325.457 -1.064 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000582715687 374809165 /nfs/dbraw/zinc/80/91/65/374809165.db2.gz MVCAHXXKDUNAJO-UHFFFAOYSA-N 1 3 342.488 -2.040 20 0 EAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583155580 374812837 /nfs/dbraw/zinc/81/28/37/374812837.db2.gz ZIDNQCVEWNYTHH-QWHCGFSZSA-N 1 3 339.440 -1.477 20 0 EAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583155581 374814021 /nfs/dbraw/zinc/81/40/21/374814021.db2.gz ZIDNQCVEWNYTHH-STQMWFEESA-N 1 3 339.440 -1.477 20 0 EAADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](CO)O1 ZINC000584217913 374299804 /nfs/dbraw/zinc/29/98/04/374299804.db2.gz AOFXEHJUZHIYPL-KBPBESRZSA-N 1 3 344.456 -1.454 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](CO)O1 ZINC000584217914 374301328 /nfs/dbraw/zinc/30/13/28/374301328.db2.gz AOFXEHJUZHIYPL-KGLIPLIRSA-N 1 3 344.456 -1.454 20 0 EAADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](CO)O1 ZINC000584217915 374300073 /nfs/dbraw/zinc/30/00/73/374300073.db2.gz AOFXEHJUZHIYPL-UONOGXRCSA-N 1 3 344.456 -1.454 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](CO)O1 ZINC000584217916 374299734 /nfs/dbraw/zinc/29/97/34/374299734.db2.gz AOFXEHJUZHIYPL-ZIAGYGMSSA-N 1 3 344.456 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C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CN1C1CC1 ZINC000584666782 374823474 /nfs/dbraw/zinc/82/34/74/374823474.db2.gz UPAUADQIJZNQIA-XWUBHJNHSA-N 1 3 349.435 -1.502 20 0 EAADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CN1C1CC1 ZINC000584666783 374824497 /nfs/dbraw/zinc/82/44/97/374824497.db2.gz UPAUADQIJZNQIA-ZMJPVWNMSA-N 1 3 349.435 -1.502 20 0 EAADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CN1C1CC1 ZINC000584666783 374824489 /nfs/dbraw/zinc/82/44/89/374824489.db2.gz UPAUADQIJZNQIA-ZMJPVWNMSA-N 1 3 349.435 -1.502 20 0 EAADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595278651 374475334 /nfs/dbraw/zinc/47/53/34/374475334.db2.gz RCBUXASXIBIFCE-AVGNSLFASA-N 1 3 337.424 -1.643 20 0 EAADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595278651 374475330 /nfs/dbraw/zinc/47/53/30/374475330.db2.gz RCBUXASXIBIFCE-AVGNSLFASA-N 1 3 337.424 -1.643 20 0 EAADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595278652 374474448 /nfs/dbraw/zinc/47/44/48/374474448.db2.gz RCBUXASXIBIFCE-RWMBFGLXSA-N 1 3 337.424 -1.643 20 0 EAADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595278652 374474439 /nfs/dbraw/zinc/47/44/39/374474439.db2.gz RCBUXASXIBIFCE-RWMBFGLXSA-N 1 3 337.424 -1.643 20 0 EAADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595278653 374475168 /nfs/dbraw/zinc/47/51/68/374475168.db2.gz RCBUXASXIBIFCE-XQQFMLRXSA-N 1 3 337.424 -1.643 20 0 EAADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595278653 374475161 /nfs/dbraw/zinc/47/51/61/374475161.db2.gz RCBUXASXIBIFCE-XQQFMLRXSA-N 1 3 337.424 -1.643 20 0 EAADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595278654 374475110 /nfs/dbraw/zinc/47/51/10/374475110.db2.gz RCBUXASXIBIFCE-YNEHKIRRSA-N 1 3 337.424 -1.643 20 0 EAADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595278654 374475105 /nfs/dbraw/zinc/47/51/05/374475105.db2.gz RCBUXASXIBIFCE-YNEHKIRRSA-N 1 3 337.424 -1.643 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595281350 374474399 /nfs/dbraw/zinc/47/43/99/374474399.db2.gz KBKYNADOSWJNHJ-BFHYXJOUSA-N 1 3 349.435 -1.643 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CCN2C1=O ZINC000595281350 374474388 /nfs/dbraw/zinc/47/43/88/374474388.db2.gz KBKYNADOSWJNHJ-BFHYXJOUSA-N 1 3 349.435 -1.643 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595281870 374474768 /nfs/dbraw/zinc/47/47/68/374474768.db2.gz KBKYNADOSWJNHJ-HZSPNIEDSA-N 1 3 349.435 -1.643 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CCN2C1=O ZINC000595281870 374474758 /nfs/dbraw/zinc/47/47/58/374474758.db2.gz KBKYNADOSWJNHJ-HZSPNIEDSA-N 1 3 349.435 -1.643 20 0 EAADHO 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COC(=O)CCN1CC[C@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595894897 374481885 /nfs/dbraw/zinc/48/18/85/374481885.db2.gz XYQKRNKZRKIZAY-OLZOCXBDSA-N 1 3 340.424 -1.063 20 0 EAADHO COC(=O)CCN1CC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595894898 374480682 /nfs/dbraw/zinc/48/06/82/374480682.db2.gz XYQKRNKZRKIZAY-QWHCGFSZSA-N 1 3 340.424 -1.063 20 0 EAADHO COC(=O)CCN1CC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595894899 374481705 /nfs/dbraw/zinc/48/17/05/374481705.db2.gz XYQKRNKZRKIZAY-STQMWFEESA-N 1 3 340.424 -1.063 20 0 EAADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980859 374485352 /nfs/dbraw/zinc/48/53/52/374485352.db2.gz LVMOKQVBTWQBAJ-CHWSQXEVSA-N 1 3 337.424 -1.691 20 0 EAADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980859 374485348 /nfs/dbraw/zinc/48/53/48/374485348.db2.gz LVMOKQVBTWQBAJ-CHWSQXEVSA-N 1 3 337.424 -1.691 20 0 EAADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980860 374485511 /nfs/dbraw/zinc/48/55/11/374485511.db2.gz LVMOKQVBTWQBAJ-OLZOCXBDSA-N 1 3 337.424 -1.691 20 0 EAADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980860 374485507 /nfs/dbraw/zinc/48/55/07/374485507.db2.gz LVMOKQVBTWQBAJ-OLZOCXBDSA-N 1 3 337.424 -1.691 20 0 EAADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980861 374485079 /nfs/dbraw/zinc/48/50/79/374485079.db2.gz LVMOKQVBTWQBAJ-QWHCGFSZSA-N 1 3 337.424 -1.691 20 0 EAADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980861 374485076 /nfs/dbraw/zinc/48/50/76/374485076.db2.gz LVMOKQVBTWQBAJ-QWHCGFSZSA-N 1 3 337.424 -1.691 20 0 EAADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980862 374485593 /nfs/dbraw/zinc/48/55/93/374485593.db2.gz LVMOKQVBTWQBAJ-STQMWFEESA-N 1 3 337.424 -1.691 20 0 EAADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980862 374485591 /nfs/dbraw/zinc/48/55/91/374485591.db2.gz LVMOKQVBTWQBAJ-STQMWFEESA-N 1 3 337.424 -1.691 20 0 EAADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595983396 374487375 /nfs/dbraw/zinc/48/73/75/374487375.db2.gz XYWUWGXHLBPYJO-CHWSQXEVSA-N 1 3 339.440 -1.445 20 0 EAADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595983397 374486500 /nfs/dbraw/zinc/48/65/00/374486500.db2.gz XYWUWGXHLBPYJO-OLZOCXBDSA-N 1 3 339.440 -1.445 20 0 EAADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595983398 374487498 /nfs/dbraw/zinc/48/74/98/374487498.db2.gz XYWUWGXHLBPYJO-QWHCGFSZSA-N 1 3 339.440 -1.445 20 0 EAADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595983399 374487300 /nfs/dbraw/zinc/48/73/00/374487300.db2.gz XYWUWGXHLBPYJO-STQMWFEESA-N 1 3 339.440 -1.445 20 0 EAADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595983728 374487214 /nfs/dbraw/zinc/48/72/14/374487214.db2.gz RATOAUJGYWQIGO-AVGNSLFASA-N 1 3 337.424 -1.691 20 0 EAADHO 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CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595983734 374487404 /nfs/dbraw/zinc/48/74/04/374487404.db2.gz RATOAUJGYWQIGO-YNEHKIRRSA-N 1 3 337.424 -1.691 20 0 EAADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595983734 374487400 /nfs/dbraw/zinc/48/74/00/374487400.db2.gz RATOAUJGYWQIGO-YNEHKIRRSA-N 1 3 337.424 -1.691 20 0 EAADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595983738 374487429 /nfs/dbraw/zinc/48/74/29/374487429.db2.gz ZBKVXWORSFRQRI-CHWSQXEVSA-N 1 3 339.440 -1.443 20 0 EAADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595983740 374486851 /nfs/dbraw/zinc/48/68/51/374486851.db2.gz ZBKVXWORSFRQRI-OLZOCXBDSA-N 1 3 339.440 -1.443 20 0 EAADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595983743 374486441 /nfs/dbraw/zinc/48/64/41/374486441.db2.gz ZBKVXWORSFRQRI-QWHCGFSZSA-N 1 3 339.440 -1.443 20 0 EAADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595983745 374487046 /nfs/dbraw/zinc/48/70/46/374487046.db2.gz ZBKVXWORSFRQRI-STQMWFEESA-N 1 3 339.440 -1.443 20 0 EAADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595983962 374486637 /nfs/dbraw/zinc/48/66/37/374486637.db2.gz FAOOURUESDUOEA-NEPJUHHUSA-N 1 3 325.413 -1.833 20 0 EAADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595983963 374486977 /nfs/dbraw/zinc/48/69/77/374486977.db2.gz FAOOURUESDUOEA-NWDGAFQWSA-N 1 3 325.413 -1.833 20 0 EAADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595983964 374487416 /nfs/dbraw/zinc/48/74/16/374487416.db2.gz FAOOURUESDUOEA-RYUDHWBXSA-N 1 3 325.413 -1.833 20 0 EAADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595983965 374487096 /nfs/dbraw/zinc/48/70/96/374487096.db2.gz FAOOURUESDUOEA-VXGBXAGGSA-N 1 3 325.413 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595986221 374486991 /nfs/dbraw/zinc/48/69/91/374486991.db2.gz GAKHMHRTHHVUMH-AVGNSLFASA-N 1 3 337.424 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595986221 374486987 /nfs/dbraw/zinc/48/69/87/374486987.db2.gz GAKHMHRTHHVUMH-AVGNSLFASA-N 1 3 337.424 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595986222 374487703 /nfs/dbraw/zinc/48/77/03/374487703.db2.gz GAKHMHRTHHVUMH-RWMBFGLXSA-N 1 3 337.424 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595986222 374487693 /nfs/dbraw/zinc/48/76/93/374487693.db2.gz GAKHMHRTHHVUMH-RWMBFGLXSA-N 1 3 337.424 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595986223 374486703 /nfs/dbraw/zinc/48/67/03/374486703.db2.gz GAKHMHRTHHVUMH-XQQFMLRXSA-N 1 3 337.424 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595986223 374486698 /nfs/dbraw/zinc/48/66/98/374486698.db2.gz GAKHMHRTHHVUMH-XQQFMLRXSA-N 1 3 337.424 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595986224 374486590 /nfs/dbraw/zinc/48/65/90/374486590.db2.gz GAKHMHRTHHVUMH-YNEHKIRRSA-N 1 3 337.424 -1.833 20 0 EAADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595986224 374486583 /nfs/dbraw/zinc/48/65/83/374486583.db2.gz GAKHMHRTHHVUMH-YNEHKIRRSA-N 1 3 337.424 -1.833 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595986888 374487039 /nfs/dbraw/zinc/48/70/39/374487039.db2.gz IPWKLRWDJZBQOO-FRRDWIJNSA-N 1 3 335.408 -1.937 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595986888 374487037 /nfs/dbraw/zinc/48/70/37/374487037.db2.gz IPWKLRWDJZBQOO-FRRDWIJNSA-N 1 3 335.408 -1.937 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595986889 374487266 /nfs/dbraw/zinc/48/72/66/374487266.db2.gz IPWKLRWDJZBQOO-JHJVBQTASA-N 1 3 335.408 -1.937 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595986889 374487264 /nfs/dbraw/zinc/48/72/64/374487264.db2.gz IPWKLRWDJZBQOO-JHJVBQTASA-N 1 3 335.408 -1.937 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595986890 374487158 /nfs/dbraw/zinc/48/71/58/374487158.db2.gz IPWKLRWDJZBQOO-RWMBFGLXSA-N 1 3 335.408 -1.937 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595986890 374487155 /nfs/dbraw/zinc/48/71/55/374487155.db2.gz IPWKLRWDJZBQOO-RWMBFGLXSA-N 1 3 335.408 -1.937 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595986891 374486840 /nfs/dbraw/zinc/48/68/40/374486840.db2.gz IPWKLRWDJZBQOO-YNEHKIRRSA-N 1 3 335.408 -1.937 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595986891 374486836 /nfs/dbraw/zinc/48/68/36/374486836.db2.gz IPWKLRWDJZBQOO-YNEHKIRRSA-N 1 3 335.408 -1.937 20 0 EAADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595988443 374489944 /nfs/dbraw/zinc/48/99/44/374489944.db2.gz JHDMWPSCZPVYDB-CHWSQXEVSA-N 1 3 337.424 -1.689 20 0 EAADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595988444 374489573 /nfs/dbraw/zinc/48/95/73/374489573.db2.gz JHDMWPSCZPVYDB-OLZOCXBDSA-N 1 3 337.424 -1.689 20 0 EAADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595988445 374489826 /nfs/dbraw/zinc/48/98/26/374489826.db2.gz JHDMWPSCZPVYDB-QWHCGFSZSA-N 1 3 337.424 -1.689 20 0 EAADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595988446 374489526 /nfs/dbraw/zinc/48/95/26/374489526.db2.gz JHDMWPSCZPVYDB-STQMWFEESA-N 1 3 337.424 -1.689 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H]1[NH+](C)C ZINC000595991218 374489276 /nfs/dbraw/zinc/48/92/76/374489276.db2.gz MFTUUMRCVMWTMJ-FDYHWXHSSA-N 1 3 337.424 -1.835 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H]1[NH+](C)C ZINC000595991225 374489711 /nfs/dbraw/zinc/48/97/11/374489711.db2.gz MFTUUMRCVMWTMJ-LPWJVIDDSA-N 1 3 337.424 -1.835 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H]1[NH+](C)C ZINC000595991228 374488945 /nfs/dbraw/zinc/48/89/45/374488945.db2.gz MFTUUMRCVMWTMJ-XQHKEYJVSA-N 1 3 337.424 -1.835 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H]1[NH+](C)C ZINC000595991229 374488595 /nfs/dbraw/zinc/48/85/95/374488595.db2.gz MFTUUMRCVMWTMJ-YVECIDJPSA-N 1 3 337.424 -1.835 20 0 EAADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595991505 374489501 /nfs/dbraw/zinc/48/95/01/374489501.db2.gz NHQHTEGZLIKCLV-AAVRWANBSA-N 1 3 349.435 -1.548 20 0 EAADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595991505 374489494 /nfs/dbraw/zinc/48/94/94/374489494.db2.gz NHQHTEGZLIKCLV-AAVRWANBSA-N 1 3 349.435 -1.548 20 0 EAADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595991506 374489907 /nfs/dbraw/zinc/48/99/07/374489907.db2.gz NHQHTEGZLIKCLV-MQYQWHSLSA-N 1 3 349.435 -1.548 20 0 EAADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595991506 374489898 /nfs/dbraw/zinc/48/98/98/374489898.db2.gz NHQHTEGZLIKCLV-MQYQWHSLSA-N 1 3 349.435 -1.548 20 0 EAADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595991507 374489050 /nfs/dbraw/zinc/48/90/50/374489050.db2.gz NHQHTEGZLIKCLV-SYQHCUMBSA-N 1 3 349.435 -1.548 20 0 EAADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595991507 374489046 /nfs/dbraw/zinc/48/90/46/374489046.db2.gz NHQHTEGZLIKCLV-SYQHCUMBSA-N 1 3 349.435 -1.548 20 0 EAADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595991509 374489210 /nfs/dbraw/zinc/48/92/10/374489210.db2.gz NHQHTEGZLIKCLV-YIYPIFLZSA-N 1 3 349.435 -1.548 20 0 EAADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595991509 374489207 /nfs/dbraw/zinc/48/92/07/374489207.db2.gz NHQHTEGZLIKCLV-YIYPIFLZSA-N 1 3 349.435 -1.548 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994654 374490015 /nfs/dbraw/zinc/49/00/15/374490015.db2.gz UKTSCGOWGVPZTK-BFHYXJOUSA-N 1 3 349.435 -1.547 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994656 374490186 /nfs/dbraw/zinc/49/01/86/374490186.db2.gz UKTSCGOWGVPZTK-HZSPNIEDSA-N 1 3 349.435 -1.547 20 0 EAADHO N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994657 374488987 /nfs/dbraw/zinc/48/89/87/374488987.db2.gz UKTSCGOWGVPZTK-MELADBBJSA-N 1 3 349.435 -1.547 20 0 EAADHO N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CCN2C1=O ZINC000595994659 374489421 /nfs/dbraw/zinc/48/94/21/374489421.db2.gz UKTSCGOWGVPZTK-MGPQQGTHSA-N 1 3 349.435 -1.547 20 0 EAADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595996860 374491669 /nfs/dbraw/zinc/49/16/69/374491669.db2.gz YCLYAFGISXJJNU-AGIUHOORSA-N 1 3 337.424 -1.691 20 0 EAADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595996863 374491915 /nfs/dbraw/zinc/49/19/15/374491915.db2.gz YCLYAFGISXJJNU-FRRDWIJNSA-N 1 3 337.424 -1.691 20 0 EAADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595996866 374491120 /nfs/dbraw/zinc/49/11/20/374491120.db2.gz YCLYAFGISXJJNU-JHJVBQTASA-N 1 3 337.424 -1.691 20 0 EAADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595996868 374491524 /nfs/dbraw/zinc/49/15/24/374491524.db2.gz YCLYAFGISXJJNU-UPJWGTAASA-N 1 3 337.424 -1.691 20 0 EAADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)C1 ZINC000595996960 374492044 /nfs/dbraw/zinc/49/20/44/374492044.db2.gz IZLIHNZPKRUBAO-AHIWAGSCSA-N 1 3 349.435 -1.689 20 0 EAADHO 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C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)C1 ZINC000595996967 374492112 /nfs/dbraw/zinc/49/21/12/374492112.db2.gz IZLIHNZPKRUBAO-XNJGSVPQSA-N 1 3 349.435 -1.689 20 0 EAADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)C1 ZINC000595996967 374492105 /nfs/dbraw/zinc/49/21/05/374492105.db2.gz IZLIHNZPKRUBAO-XNJGSVPQSA-N 1 3 349.435 -1.689 20 0 EAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596000698 374483175 /nfs/dbraw/zinc/48/31/75/374483175.db2.gz NNMUJTMZZYOBPM-LPWJVIDDSA-N 1 3 335.408 -2.081 20 0 EAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596000699 374483304 /nfs/dbraw/zinc/48/33/04/374483304.db2.gz NNMUJTMZZYOBPM-NDBYEHHHSA-N 1 3 335.408 -2.081 20 0 EAADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596000701 374483521 /nfs/dbraw/zinc/48/35/21/374483521.db2.gz NNMUJTMZZYOBPM-VOAKCMCISA-N 1 3 335.408 -2.081 20 0 EAADHO 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374534069 /nfs/dbraw/zinc/53/40/69/374534069.db2.gz UIIUMFZXHCGFDD-UONOGXRCSA-N 1 3 342.440 -1.258 20 0 EAADHO COCCOCC[N@H+](C)CCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000602529776 374534061 /nfs/dbraw/zinc/53/40/61/374534061.db2.gz UIIUMFZXHCGFDD-UONOGXRCSA-N 1 3 342.440 -1.258 20 0 EAADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000602529777 374535026 /nfs/dbraw/zinc/53/50/26/374535026.db2.gz UIIUMFZXHCGFDD-ZIAGYGMSSA-N 1 3 342.440 -1.258 20 0 EAADHO COCCOCC[N@H+](C)CCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000602529777 374535021 /nfs/dbraw/zinc/53/50/21/374535021.db2.gz UIIUMFZXHCGFDD-ZIAGYGMSSA-N 1 3 342.440 -1.258 20 0 EAADHO CN(C)C[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C[NH+](C)C)CCC1 ZINC000614850069 375010162 /nfs/dbraw/zinc/01/01/62/375010162.db2.gz RKRPENBVWKSUIO-CHWSQXEVSA-N 1 3 344.456 -1.766 20 0 EAADHO CN(C)C[C@@H](CO)NC(=O)C1(C(=O)N[C@H](CO)C[NH+](C)C)CCC1 ZINC000614850070 375009861 /nfs/dbraw/zinc/00/98/61/375009861.db2.gz RKRPENBVWKSUIO-STQMWFEESA-N 1 3 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/nfs/dbraw/zinc/20/93/74/375209374.db2.gz CIAORMLCPLEUCD-UHFFFAOYSA-N 1 3 330.429 -1.353 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455187 375208710 /nfs/dbraw/zinc/20/87/10/375208710.db2.gz NWWAZCLIQCMWOC-UHFFFAOYSA-N 1 3 343.472 -1.438 20 0 EAADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000627498647 375220093 /nfs/dbraw/zinc/22/00/93/375220093.db2.gz GSDCMDUSEAEGAK-UONOGXRCSA-N 1 3 325.457 -1.051 20 0 EAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505323 375220325 /nfs/dbraw/zinc/22/03/25/375220325.db2.gz IKNJPPBZMRJDTG-CHWSQXEVSA-N 1 3 337.424 -1.771 20 0 EAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505324 375219396 /nfs/dbraw/zinc/21/93/96/375219396.db2.gz IKNJPPBZMRJDTG-OLZOCXBDSA-N 1 3 337.424 -1.771 20 0 EAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505704 374801672 /nfs/dbraw/zinc/80/16/72/374801672.db2.gz ZXEBPPPGBQLNHN-CYBMUJFWSA-N 1 3 337.424 -1.769 20 0 EAADHO CS(=O)(=O)N1CCN(CC[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629558261 374931716 /nfs/dbraw/zinc/93/17/16/374931716.db2.gz VUYZDULCTCNWLW-AWEZNQCLSA-N 1 3 334.486 -1.390 20 0 EAADHO CS(=O)(=O)N1CCN(CC[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629558262 374931223 /nfs/dbraw/zinc/93/12/23/374931223.db2.gz VUYZDULCTCNWLW-CQSZACIVSA-N 1 3 334.486 -1.390 20 0 EAADHO C[NH2+]CCOCCN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000629570618 374931791 /nfs/dbraw/zinc/93/17/91/374931791.db2.gz FCJCZFQUXBUCRL-UHFFFAOYSA-N 1 3 338.412 -1.399 20 0 EAADHO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CCOCC[NH3+] ZINC000629578202 374933560 /nfs/dbraw/zinc/93/35/60/374933560.db2.gz OKROSZUBMUTJRT-UHFFFAOYSA-N 1 3 338.412 -1.269 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000629796205 374938808 /nfs/dbraw/zinc/93/88/08/374938808.db2.gz PGUKGXKCLBRFKO-UHFFFAOYSA-N 1 3 341.456 -1.194 20 0 EAADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000629797597 374938487 /nfs/dbraw/zinc/93/84/87/374938487.db2.gz YUAHTUJDNGVJGS-UHFFFAOYSA-N 1 3 339.440 -1.440 20 0 EAADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000629801145 374938346 /nfs/dbraw/zinc/93/83/46/374938346.db2.gz HSGADCUMTLVNAJ-CYBMUJFWSA-N 1 3 339.440 -1.441 20 0 EAADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000629801146 374938678 /nfs/dbraw/zinc/93/86/78/374938678.db2.gz HSGADCUMTLVNAJ-ZDUSSCGKSA-N 1 3 339.440 -1.441 20 0 EAADHO C[NH+](C)CCCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000630585166 375023561 /nfs/dbraw/zinc/02/35/61/375023561.db2.gz JCTXBFZYEBRFSF-UHFFFAOYSA-N 1 3 331.446 -1.531 20 0 EAADHO CC[NH+](CC)CCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000630585381 375023105 /nfs/dbraw/zinc/02/31/05/375023105.db2.gz CEZHLAMGTYJKNJ-UHFFFAOYSA-N 1 3 345.473 -1.141 20 0 EAADHO O=S(=O)(NCc1cn(CC[NH+]2CCCC2)nn1)N1CCNCC1 ZINC000630617688 375023176 /nfs/dbraw/zinc/02/31/76/375023176.db2.gz FHLGRRBEDLEEPT-UHFFFAOYSA-N 1 3 343.457 -1.387 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C[C@H]1C[NH3+] ZINC000633086925 375245328 /nfs/dbraw/zinc/24/53/28/375245328.db2.gz BSWSXTNEMSGRER-ZIAGYGMSSA-N 1 3 327.473 -1.009 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086992 375245856 /nfs/dbraw/zinc/24/58/56/375245856.db2.gz DHAYCBPOYHEEPI-OKILXGFUSA-N 1 3 325.457 -1.099 20 0 EAADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633087426 375244567 /nfs/dbraw/zinc/24/45/67/375244567.db2.gz JXYDGBXSGRCAKU-KBPBESRZSA-N 1 3 349.435 -1.674 20 0 EAADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)C1 ZINC000633089936 375245367 /nfs/dbraw/zinc/24/53/67/375245367.db2.gz TVQZHKJAJIHFEB-KKUMJFAQSA-N 1 3 335.452 -1.203 20 0 EAADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)C1 ZINC000633089937 375245762 /nfs/dbraw/zinc/24/57/62/375245762.db2.gz TVQZHKJAJIHFEB-ZNMIVQPWSA-N 1 3 335.452 -1.203 20 0 EAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633101767 375247199 /nfs/dbraw/zinc/24/71/99/375247199.db2.gz PQBYTRCABNRHQB-IHRRRGAJSA-N 1 3 349.435 -1.676 20 0 EAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633101771 375247538 /nfs/dbraw/zinc/24/75/38/375247538.db2.gz PQBYTRCABNRHQB-MELADBBJSA-N 1 3 349.435 -1.676 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000637103864 374551003 /nfs/dbraw/zinc/55/10/03/374551003.db2.gz BUGFLSXMFRAOBX-AWEZNQCLSA-N 1 3 343.472 -1.615 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000637103870 374549933 /nfs/dbraw/zinc/54/99/33/374549933.db2.gz BUGFLSXMFRAOBX-CQSZACIVSA-N 1 3 343.472 -1.615 20 0 EAADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638096029 374638199 /nfs/dbraw/zinc/63/81/99/374638199.db2.gz FYBDKQDFBHEGSA-AWEZNQCLSA-N 1 3 325.457 -1.050 20 0 EAADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638096039 374638324 /nfs/dbraw/zinc/63/83/24/374638324.db2.gz FYBDKQDFBHEGSA-CQSZACIVSA-N 1 3 325.457 -1.050 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638100313 374638605 /nfs/dbraw/zinc/63/86/05/374638605.db2.gz YJSZHHMEFAWOEU-UHFFFAOYSA-N 1 3 325.457 -1.096 20 0 EAADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CN2CC[NH2+]CC2)cn1 ZINC000638122768 374639097 /nfs/dbraw/zinc/63/90/97/374639097.db2.gz LCSPYBPBCBNNGM-UHFFFAOYSA-N 1 3 337.428 -1.595 20 0 EAADHO CN1CCN(C[C@@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139464 374641015 /nfs/dbraw/zinc/64/10/15/374641015.db2.gz FASNAJMSUXPBBY-GDBMZVCRSA-N 1 3 326.441 -1.160 20 0 EAADHO CN1CCN(C[C@H]2CN(C(=O)[C@@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139466 374640847 /nfs/dbraw/zinc/64/08/47/374640847.db2.gz FASNAJMSUXPBBY-GOEBONIOSA-N 1 3 326.441 -1.160 20 0 EAADHO CN1CCN(C[C@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139467 374640918 /nfs/dbraw/zinc/64/09/18/374640918.db2.gz FASNAJMSUXPBBY-HOCLYGCPSA-N 1 3 326.441 -1.160 20 0 EAADHO CN1CCN(C[C@@H]2CN(C(=O)[C@]3(C)C[NH2+]CCO3)CCO2)CC1 ZINC000638139468 374641091 /nfs/dbraw/zinc/64/10/91/374641091.db2.gz FASNAJMSUXPBBY-ZBFHGGJFSA-N 1 3 326.441 -1.160 20 0 EAADHO O=C(CN1CCNCC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638150625 374641187 /nfs/dbraw/zinc/64/11/87/374641187.db2.gz YKXIIGATCHXLEB-CABCVRRESA-N 1 3 337.468 -1.002 20 0 EAADHO O=C(CN1CCNCC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000638150626 374641101 /nfs/dbraw/zinc/64/11/01/374641101.db2.gz YKXIIGATCHXLEB-GJZGRUSLSA-N 1 3 337.468 -1.002 20 0 EAADHO O=C(CN1CCNCC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638150627 374640663 /nfs/dbraw/zinc/64/06/63/374640663.db2.gz YKXIIGATCHXLEB-HUUCEWRRSA-N 1 3 337.468 -1.002 20 0 EAADHO O=C(CN1CCNCC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000638150628 374640325 /nfs/dbraw/zinc/64/03/25/374640325.db2.gz YKXIIGATCHXLEB-LSDHHAIUSA-N 1 3 337.468 -1.002 20 0 EAADHO C[C@]1(CO)C[C@H](O)CN1CCOCC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851191 374772837 /nfs/dbraw/zinc/77/28/37/374772837.db2.gz ZUGWVNYRNBYEDP-CAOSSQGBSA-N 1 3 332.441 -1.362 20 0 EAADHO C[C@]1(CO)C[C@H](O)CN1CCOCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851191 374772830 /nfs/dbraw/zinc/77/28/30/374772830.db2.gz ZUGWVNYRNBYEDP-CAOSSQGBSA-N 1 3 332.441 -1.362 20 0 EAADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000642440232 375145647 /nfs/dbraw/zinc/14/56/47/375145647.db2.gz ZTRNSLQOJPCYMA-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000642440233 375146244 /nfs/dbraw/zinc/14/62/44/375146244.db2.gz ZTRNSLQOJPCYMA-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642897500 374350460 /nfs/dbraw/zinc/35/04/60/374350460.db2.gz RHKZGOBCXFCAEN-UHFFFAOYSA-N 1 3 346.435 -1.248 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642910624 374357425 /nfs/dbraw/zinc/35/74/25/374357425.db2.gz KDBYKVNYBOXNNO-GFCCVEGCSA-N 1 3 327.429 -1.538 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642910625 374358345 /nfs/dbraw/zinc/35/83/45/374358345.db2.gz KDBYKVNYBOXNNO-LBPRGKRZSA-N 1 3 327.429 -1.538 20 0 EAADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000643478754 374829293 /nfs/dbraw/zinc/82/92/93/374829293.db2.gz BLDMCQDTGFKCPS-AWEZNQCLSA-N 1 3 333.392 -1.084 20 0 EAADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000643478755 374830232 /nfs/dbraw/zinc/83/02/32/374830232.db2.gz BLDMCQDTGFKCPS-CQSZACIVSA-N 1 3 333.392 -1.084 20 0 EAADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000643509574 374890101 /nfs/dbraw/zinc/89/01/01/374890101.db2.gz UMJXTJCPVAPSGY-KBPBESRZSA-N 1 3 343.472 -1.487 20 0 EAADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000643509575 374890726 /nfs/dbraw/zinc/89/07/26/374890726.db2.gz UMJXTJCPVAPSGY-KGLIPLIRSA-N 1 3 343.472 -1.487 20 0 EAADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000643509576 374890744 /nfs/dbraw/zinc/89/07/44/374890744.db2.gz UMJXTJCPVAPSGY-UONOGXRCSA-N 1 3 343.472 -1.487 20 0 EAADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CCO1 ZINC000643509577 374889453 /nfs/dbraw/zinc/88/94/53/374889453.db2.gz UMJXTJCPVAPSGY-ZIAGYGMSSA-N 1 3 343.472 -1.487 20 0 EAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643511144 374890767 /nfs/dbraw/zinc/89/07/67/374890767.db2.gz BYAMKAZDXZKDQH-CHWSQXEVSA-N 1 3 330.429 -1.402 20 0 EAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643511145 374889753 /nfs/dbraw/zinc/88/97/53/374889753.db2.gz BYAMKAZDXZKDQH-OLZOCXBDSA-N 1 3 330.429 -1.402 20 0 EAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643511146 374889004 /nfs/dbraw/zinc/88/90/04/374889004.db2.gz BYAMKAZDXZKDQH-QWHCGFSZSA-N 1 3 330.429 -1.402 20 0 EAADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643511147 374890287 /nfs/dbraw/zinc/89/02/87/374890287.db2.gz BYAMKAZDXZKDQH-STQMWFEESA-N 1 3 330.429 -1.402 20 0 EAADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643513378 374897778 /nfs/dbraw/zinc/89/77/78/374897778.db2.gz HBGSXCIHKXKYCT-CABCVRRESA-N 1 3 335.452 -1.201 20 0 EAADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643513379 374898662 /nfs/dbraw/zinc/89/86/62/374898662.db2.gz HBGSXCIHKXKYCT-GJZGRUSLSA-N 1 3 335.452 -1.201 20 0 EAADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643513380 374897694 /nfs/dbraw/zinc/89/76/94/374897694.db2.gz HBGSXCIHKXKYCT-HUUCEWRRSA-N 1 3 335.452 -1.201 20 0 EAADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643513381 374897838 /nfs/dbraw/zinc/89/78/38/374897838.db2.gz HBGSXCIHKXKYCT-LSDHHAIUSA-N 1 3 335.452 -1.201 20 0 EAADHO CN1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](CN)C1 ZINC000643577690 374247150 /nfs/dbraw/zinc/24/71/50/374247150.db2.gz QAFZDBUPCCTGLG-HNNXBMFYSA-N 1 3 346.435 -1.169 20 0 EAADHO CN1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@H](CN)C1 ZINC000643577691 374248113 /nfs/dbraw/zinc/24/81/13/374248113.db2.gz QAFZDBUPCCTGLG-OAHLLOKOSA-N 1 3 346.435 -1.169 20 0 EAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644225655 414875659 /nfs/dbraw/zinc/87/56/59/414875659.db2.gz WDKQMTIDZSLDRO-QLFBSQMISA-N 1 3 346.435 -1.020 20 0 EAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644225656 414875531 /nfs/dbraw/zinc/87/55/31/414875531.db2.gz WDKQMTIDZSLDRO-SOUVJXGZSA-N 1 3 346.435 -1.020 20 0 EAADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644226631 414875934 /nfs/dbraw/zinc/87/59/34/414875934.db2.gz QUKZLECOKXVVIH-BEAPCOKYSA-N 1 3 346.435 -1.164 20 0 EAADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000645624561 545715100 /nfs/dbraw/zinc/71/51/00/545715100.db2.gz RGYYCKVLRLNHCT-CHWSQXEVSA-N 1 3 334.424 -0.454 20 0 EAADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC000645624564 545715751 /nfs/dbraw/zinc/71/57/51/545715751.db2.gz RGYYCKVLRLNHCT-OLZOCXBDSA-N 1 3 334.424 -0.454 20 0 EAADHO CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000645624565 545716176 /nfs/dbraw/zinc/71/61/76/545716176.db2.gz RGYYCKVLRLNHCT-QWHCGFSZSA-N 1 3 334.424 -0.454 20 0 EAADHO CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000645624566 545715251 /nfs/dbraw/zinc/71/52/51/545715251.db2.gz RGYYCKVLRLNHCT-STQMWFEESA-N 1 3 334.424 -0.454 20 0 EAADHO CN(CCCN1CCN(C)CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646061642 415231879 /nfs/dbraw/zinc/23/18/79/415231879.db2.gz BUROVHOGWIZCRO-AWEZNQCLSA-N 1 3 325.457 -1.050 20 0 EAADHO CN(CCCN1CCN(C)CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646061643 415231034 /nfs/dbraw/zinc/23/10/34/415231034.db2.gz BUROVHOGWIZCRO-CQSZACIVSA-N 1 3 325.457 -1.050 20 0 EAADHO CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CCN1CC[NH2+]CC1 ZINC000647835879 414944641 /nfs/dbraw/zinc/94/46/41/414944641.db2.gz STALNPRVENHPKV-UHFFFAOYSA-N 1 3 349.439 -1.729 20 0 EAADHO CN(C)CCN1C[C@@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649272165 415275489 /nfs/dbraw/zinc/27/54/89/415275489.db2.gz PFTKOGMRNKWKGV-AWEZNQCLSA-N 1 3 325.457 -1.240 20 0 EAADHO CN(C)CCN1C[C@H](C(=O)N(C)CCN2CC[NH2+]CC2)CC1=O ZINC000649272166 415272706 /nfs/dbraw/zinc/27/27/06/415272706.db2.gz PFTKOGMRNKWKGV-CQSZACIVSA-N 1 3 325.457 -1.240 20 0 EAADHO COCCN(C)CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650824355 414853856 /nfs/dbraw/zinc/85/38/56/414853856.db2.gz LNPJTAPKKPSLLA-UHFFFAOYSA-N 1 3 329.445 -1.020 20 0 EAADHO CN(C)CCN1CCN(C(=O)NCCOCC[NH+](C)C)CC1=O ZINC000651053173 414883885 /nfs/dbraw/zinc/88/38/85/414883885.db2.gz GFVGUYTUOVKZAG-UHFFFAOYSA-N 1 3 329.445 -1.020 20 0 EAADHO CN(C)CCN(C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652399029 414905756 /nfs/dbraw/zinc/90/57/56/414905756.db2.gz NRMMIZNVHKAEFI-UHFFFAOYSA-N 1 3 327.429 -1.761 20 0 EAADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1=O ZINC000652399152 414903774 /nfs/dbraw/zinc/90/37/74/414903774.db2.gz SHGZYRJVUDXIQR-UHFFFAOYSA-N 1 3 341.456 -1.371 20 0 EAADHO CCO[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)C[C@H]1C[NH3+] ZINC000652692775 414887894 /nfs/dbraw/zinc/88/78/94/414887894.db2.gz CJXORPGDGUHUBE-CHWSQXEVSA-N 1 3 330.429 -1.497 20 0 EAADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000652695211 414884575 /nfs/dbraw/zinc/88/45/75/414884575.db2.gz PKLHDGVMBOPLII-UHFFFAOYSA-N 1 3 325.457 -1.048 20 0 EAADHO CCO[C@@H]1CN(C(=O)C(=O)N(CCOC)CCN(C)C)C[C@H]1C[NH3+] ZINC000652729100 414960681 /nfs/dbraw/zinc/96/06/81/414960681.db2.gz QZSHKMKRRQZGTF-ZIAGYGMSSA-N 1 3 344.456 -1.155 20 0 EAADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653116323 414837494 /nfs/dbraw/zinc/83/74/94/414837494.db2.gz BWINDOUXRJCKHY-YOEHRIQHSA-N 1 3 336.436 -1.011 20 0 EAADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653349949 414953084 /nfs/dbraw/zinc/95/30/84/414953084.db2.gz FLQKEALDVIDIHN-UHFFFAOYSA-N 1 3 341.456 -1.323 20 0 EAADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653383455 414992718 /nfs/dbraw/zinc/99/27/18/414992718.db2.gz PECLVOKHNQIADN-CYBMUJFWSA-N 1 3 341.456 -1.325 20 0 EAADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653383456 414989988 /nfs/dbraw/zinc/98/99/88/414989988.db2.gz PECLVOKHNQIADN-ZDUSSCGKSA-N 1 3 341.456 -1.325 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658534331 415319576 /nfs/dbraw/zinc/31/95/76/415319576.db2.gz ACVBQTVRPKRDGL-AWEZNQCLSA-N 1 3 344.456 -1.188 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658534332 415318835 /nfs/dbraw/zinc/31/88/35/415318835.db2.gz ACVBQTVRPKRDGL-CQSZACIVSA-N 1 3 344.456 -1.188 20 0 EAADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000658776243 415325577 /nfs/dbraw/zinc/32/55/77/415325577.db2.gz UCUVVJSBCFDNGX-UHFFFAOYSA-N 1 3 339.440 -1.761 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000659318533 415327681 /nfs/dbraw/zinc/32/76/81/415327681.db2.gz LANYSAMTQOCAAC-INIZCTEOSA-N 1 3 341.456 -1.338 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000659318535 415329764 /nfs/dbraw/zinc/32/97/64/415329764.db2.gz LANYSAMTQOCAAC-MRXNPFEDSA-N 1 3 341.456 -1.338 20 0 EAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000659506887 414983869 /nfs/dbraw/zinc/98/38/69/414983869.db2.gz DCKPCABDLCCEMK-UHFFFAOYSA-N 1 3 328.461 -1.447 20 0 EAADHO CN1CCN(CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1(C)C ZINC000659688784 415336910 /nfs/dbraw/zinc/33/69/10/415336910.db2.gz KJNFWJHZKDJFKL-UHFFFAOYSA-N 1 3 337.468 -1.003 20 0 EAADHO CN(C)CCN1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659691010 415336152 /nfs/dbraw/zinc/33/61/52/415336152.db2.gz ZENLXBLIHAJVDB-UHFFFAOYSA-N 1 3 337.468 -1.003 20 0 EAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000659699704 415334978 /nfs/dbraw/zinc/33/49/78/415334978.db2.gz UKIISXAMCFXOPZ-CHWSQXEVSA-N 1 3 341.456 -1.231 20 0 EAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000659699705 415336656 /nfs/dbraw/zinc/33/66/56/415336656.db2.gz UKIISXAMCFXOPZ-OLZOCXBDSA-N 1 3 341.456 -1.231 20 0 EAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000659699706 415334078 /nfs/dbraw/zinc/33/40/78/415334078.db2.gz UKIISXAMCFXOPZ-QWHCGFSZSA-N 1 3 341.456 -1.231 20 0 EAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000659699707 415335729 /nfs/dbraw/zinc/33/57/29/415335729.db2.gz UKIISXAMCFXOPZ-STQMWFEESA-N 1 3 341.456 -1.231 20 0 EAADHO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)CN1CCN(C)CC1 ZINC000659708957 415336379 /nfs/dbraw/zinc/33/63/79/415336379.db2.gz ATVVXPUXKRPNKS-CBCUQQMYSA-N 1 3 337.468 -1.146 20 0 EAADHO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)CN1CCN(C)CC1 ZINC000659708958 415336884 /nfs/dbraw/zinc/33/68/84/415336884.db2.gz ATVVXPUXKRPNKS-TUBUQKNSSA-N 1 3 337.468 -1.146 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)C[NH+]1CCN(C)CC1 ZINC000659708993 415336517 /nfs/dbraw/zinc/33/65/17/415336517.db2.gz CJVKUCZOQJMUGU-BFHYXJOUSA-N 1 3 343.447 -1.116 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)CN1CCN(C)CC1 ZINC000659708993 415336503 /nfs/dbraw/zinc/33/65/03/415336503.db2.gz CJVKUCZOQJMUGU-BFHYXJOUSA-N 1 3 343.447 -1.116 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)C[NH+]1CCN(C)CC1 ZINC000659708994 415334197 /nfs/dbraw/zinc/33/41/97/415334197.db2.gz CJVKUCZOQJMUGU-MGPQQGTHSA-N 1 3 343.447 -1.116 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)CN1CCN(C)CC1 ZINC000659708994 415334191 /nfs/dbraw/zinc/33/41/91/415334191.db2.gz CJVKUCZOQJMUGU-MGPQQGTHSA-N 1 3 343.447 -1.116 20 0 EAADHO CCCN1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709373 415335486 /nfs/dbraw/zinc/33/54/86/415335486.db2.gz CWJHAYXRTGKPTH-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709375 415336010 /nfs/dbraw/zinc/33/60/10/415336010.db2.gz CWJHAYXRTGKPTH-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659710115 415336558 /nfs/dbraw/zinc/33/65/58/415336558.db2.gz MUJIXMLTNLNEEK-CYBMUJFWSA-N 1 3 325.457 -1.003 20 0 EAADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000659710116 415335392 /nfs/dbraw/zinc/33/53/92/415335392.db2.gz MUJIXMLTNLNEEK-ZDUSSCGKSA-N 1 3 325.457 -1.003 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)CN1CCN(C)CC1 ZINC000659711150 415336216 /nfs/dbraw/zinc/33/62/16/415336216.db2.gz XEFFUMSYKCTZJK-CBCUQQMYSA-N 1 3 337.468 -1.064 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)CN1CCN(C)CC1 ZINC000659711151 415335962 /nfs/dbraw/zinc/33/59/62/415335962.db2.gz XEFFUMSYKCTZJK-TUBUQKNSSA-N 1 3 337.468 -1.064 20 0 EAADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC000659729358 415339040 /nfs/dbraw/zinc/33/90/40/415339040.db2.gz QZOQLJHZEQLWFZ-KBPBESRZSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC000659729359 415337608 /nfs/dbraw/zinc/33/76/08/415337608.db2.gz QZOQLJHZEQLWFZ-KGLIPLIRSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCO1 ZINC000659729361 415339505 /nfs/dbraw/zinc/33/95/05/415339505.db2.gz QZOQLJHZEQLWFZ-UONOGXRCSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCO1 ZINC000659729362 415338017 /nfs/dbraw/zinc/33/80/17/415338017.db2.gz QZOQLJHZEQLWFZ-ZIAGYGMSSA-N 1 3 342.440 -1.340 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742935 415343857 /nfs/dbraw/zinc/34/38/57/415343857.db2.gz WNBDRXDLPRMZQR-UHFFFAOYSA-N 1 3 325.457 -1.194 20 0 EAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659750422 415343104 /nfs/dbraw/zinc/34/31/04/415343104.db2.gz OHIGJWYBZYCMJR-CHWSQXEVSA-N 1 3 339.440 -1.525 20 0 EAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659750425 415343727 /nfs/dbraw/zinc/34/37/27/415343727.db2.gz OHIGJWYBZYCMJR-OLZOCXBDSA-N 1 3 339.440 -1.525 20 0 EAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659750427 415342931 /nfs/dbraw/zinc/34/29/31/415342931.db2.gz OHIGJWYBZYCMJR-QWHCGFSZSA-N 1 3 339.440 -1.525 20 0 EAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659750430 415343490 /nfs/dbraw/zinc/34/34/90/415343490.db2.gz OHIGJWYBZYCMJR-STQMWFEESA-N 1 3 339.440 -1.525 20 0 EAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659750549 415341906 /nfs/dbraw/zinc/34/19/06/415341906.db2.gz OPOJNIAOHYHUGQ-CYBMUJFWSA-N 1 3 339.440 -1.523 20 0 EAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659750555 415344107 /nfs/dbraw/zinc/34/41/07/415344107.db2.gz OPOJNIAOHYHUGQ-ZDUSSCGKSA-N 1 3 339.440 -1.523 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659751570 415158976 /nfs/dbraw/zinc/15/89/76/415158976.db2.gz VUSNBXNDVSRXJT-CYBMUJFWSA-N 1 3 341.456 -1.277 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659751574 415159957 /nfs/dbraw/zinc/15/99/57/415159957.db2.gz VUSNBXNDVSRXJT-ZDUSSCGKSA-N 1 3 341.456 -1.277 20 0 EAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659755520 415160616 /nfs/dbraw/zinc/16/06/16/415160616.db2.gz YNBHBFMYPNKZPK-KBPBESRZSA-N 1 3 325.457 -1.051 20 0 EAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659755524 415161602 /nfs/dbraw/zinc/16/16/02/415161602.db2.gz YNBHBFMYPNKZPK-KGLIPLIRSA-N 1 3 325.457 -1.051 20 0 EAADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659755529 415160697 /nfs/dbraw/zinc/16/06/97/415160697.db2.gz YNBHBFMYPNKZPK-UONOGXRCSA-N 1 3 325.457 -1.051 20 0 EAADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659755534 415162847 /nfs/dbraw/zinc/16/28/47/415162847.db2.gz YNBHBFMYPNKZPK-ZIAGYGMSSA-N 1 3 325.457 -1.051 20 0 EAADHO [NH3+]CCn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000662444870 415351586 /nfs/dbraw/zinc/35/15/86/415351586.db2.gz MGZOQTYKYFHNQD-UHFFFAOYSA-N 1 3 335.412 -1.383 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662446098 414831168 /nfs/dbraw/zinc/83/11/68/414831168.db2.gz XBAXBTODUJTVAX-UHFFFAOYSA-N 1 3 337.428 -1.137 20 0 EAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662659963 415353451 /nfs/dbraw/zinc/35/34/51/415353451.db2.gz RGHALXWOFUDQRI-CYBMUJFWSA-N 1 3 341.456 -1.277 20 0 EAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662659965 415352190 /nfs/dbraw/zinc/35/21/90/415352190.db2.gz RGHALXWOFUDQRI-ZDUSSCGKSA-N 1 3 341.456 -1.277 20 0 EAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662660353 415353156 /nfs/dbraw/zinc/35/31/56/415353156.db2.gz UUPAAHDCSXIYQD-GFCCVEGCSA-N 1 3 327.429 -1.667 20 0 EAADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662660354 415353052 /nfs/dbraw/zinc/35/30/52/415353052.db2.gz UUPAAHDCSXIYQD-LBPRGKRZSA-N 1 3 327.429 -1.667 20 0 EAADHO CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662929575 415360562 /nfs/dbraw/zinc/36/05/62/415360562.db2.gz CBLQOQHIUPYVHL-UHFFFAOYSA-N 1 3 339.440 -1.440 20 0 EAADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929910 415359256 /nfs/dbraw/zinc/35/92/56/415359256.db2.gz JIEWPIJGXGVBQQ-UHFFFAOYSA-N 1 3 325.457 -1.112 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662930881 414838143 /nfs/dbraw/zinc/83/81/43/414838143.db2.gz YMEGAFGPANWPNR-UHFFFAOYSA-N 1 3 341.456 -1.194 20 0 EAADHO CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000662940788 415358478 /nfs/dbraw/zinc/35/84/78/415358478.db2.gz PTHMYOKVKXOVFG-CYBMUJFWSA-N 1 3 339.440 -1.441 20 0 EAADHO CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000662940789 415357740 /nfs/dbraw/zinc/35/77/40/415357740.db2.gz PTHMYOKVKXOVFG-ZDUSSCGKSA-N 1 3 339.440 -1.441 20 0 EAADHO CN(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1O ZINC000664173816 415368780 /nfs/dbraw/zinc/36/87/80/415368780.db2.gz HERBQIMJZCSDHS-IHRRRGAJSA-N 1 3 341.456 -1.110 20 0 EAADHO CN(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1O ZINC000664173816 415368773 /nfs/dbraw/zinc/36/87/73/415368773.db2.gz HERBQIMJZCSDHS-IHRRRGAJSA-N 1 3 341.456 -1.110 20 0 EAADHO CN(C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1O ZINC000664173817 415368674 /nfs/dbraw/zinc/36/86/74/415368674.db2.gz HERBQIMJZCSDHS-RDBSUJKOSA-N 1 3 341.456 -1.110 20 0 EAADHO CN(C)[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1O ZINC000664173817 415368668 /nfs/dbraw/zinc/36/86/68/415368668.db2.gz HERBQIMJZCSDHS-RDBSUJKOSA-N 1 3 341.456 -1.110 20 0 EAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCN1CCNC(=O)C1 ZINC000664623838 415366974 /nfs/dbraw/zinc/36/69/74/415366974.db2.gz CJBWFWSZJREXEE-AWEZNQCLSA-N 1 3 342.488 -1.011 20 0 EAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCN1CCNC(=O)C1 ZINC000664623838 415366970 /nfs/dbraw/zinc/36/69/70/415366970.db2.gz CJBWFWSZJREXEE-AWEZNQCLSA-N 1 3 342.488 -1.011 20 0 EAADHO C[C@H](O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000666493798 414907926 /nfs/dbraw/zinc/90/79/26/414907926.db2.gz GKXDNXJBQKZAFJ-KBPBESRZSA-N 1 3 344.456 -1.454 20 0 EAADHO C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000666493804 414907217 /nfs/dbraw/zinc/90/72/17/414907217.db2.gz GKXDNXJBQKZAFJ-KGLIPLIRSA-N 1 3 344.456 -1.454 20 0 EAADHO C[C@H](O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000666493806 414908685 /nfs/dbraw/zinc/90/86/85/414908685.db2.gz GKXDNXJBQKZAFJ-UONOGXRCSA-N 1 3 344.456 -1.454 20 0 EAADHO C[C@@H](O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000666493807 414907889 /nfs/dbraw/zinc/90/78/89/414907889.db2.gz GKXDNXJBQKZAFJ-ZIAGYGMSSA-N 1 3 344.456 -1.454 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735045290 583208581 /nfs/dbraw/zinc/20/85/81/583208581.db2.gz YWPMKZKZGLQYTH-UHFFFAOYSA-N 1 3 325.413 -1.351 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804055007 583310366 /nfs/dbraw/zinc/31/03/66/583310366.db2.gz CMPWLSLGNPSXKP-KBPBESRZSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804055008 583310215 /nfs/dbraw/zinc/31/02/15/583310215.db2.gz CMPWLSLGNPSXKP-KGLIPLIRSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804055009 583310165 /nfs/dbraw/zinc/31/01/65/583310165.db2.gz CMPWLSLGNPSXKP-UONOGXRCSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804055010 583310538 /nfs/dbraw/zinc/31/05/38/583310538.db2.gz CMPWLSLGNPSXKP-ZIAGYGMSSA-N 1 3 342.440 -1.340 20 0 EAADHO COC1(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)CS(=O)(=O)C1 ZINC000827892265 583359852 /nfs/dbraw/zinc/35/98/52/583359852.db2.gz JDGRVLTUTWZHDJ-CHWSQXEVSA-N 1 3 347.481 -1.002 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000839286132 583240316 /nfs/dbraw/zinc/24/03/16/583240316.db2.gz LOGXERQSPWHBQB-UHFFFAOYSA-N 1 3 342.440 -1.086 20 0 EAADHO C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000842014241 583386832 /nfs/dbraw/zinc/38/68/32/583386832.db2.gz ATRXQJOUWJSUEM-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000842014242 583386648 /nfs/dbraw/zinc/38/66/48/583386648.db2.gz ATRXQJOUWJSUEM-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO NC[C@@H]1CC(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)=NO1 ZINC000852793428 583410383 /nfs/dbraw/zinc/41/03/83/583410383.db2.gz APTCHPILFKLIBU-JTQLQIEISA-N 1 3 341.393 -1.034 20 0 EAADHO NC[C@H]1CC(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)=NO1 ZINC000852793429 583410411 /nfs/dbraw/zinc/41/04/11/583410411.db2.gz APTCHPILFKLIBU-SNVBAGLBSA-N 1 3 341.393 -1.034 20 0 EAADHO CCn1ncc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000859329197 583422019 /nfs/dbraw/zinc/42/20/19/583422019.db2.gz MIKXTUBEFPUTRO-UHFFFAOYSA-N 1 3 339.444 -1.134 20 0 EAADHO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861754000 583427368 /nfs/dbraw/zinc/42/73/68/583427368.db2.gz BFIUNPIKBMUTBA-CHWSQXEVSA-N 1 3 328.413 -1.601 20 0 EAADHO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861754002 583427447 /nfs/dbraw/zinc/42/74/47/583427447.db2.gz BFIUNPIKBMUTBA-OLZOCXBDSA-N 1 3 328.413 -1.601 20 0 EAADHO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861754005 583427250 /nfs/dbraw/zinc/42/72/50/583427250.db2.gz BFIUNPIKBMUTBA-QWHCGFSZSA-N 1 3 328.413 -1.601 20 0 EAADHO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861754008 583427436 /nfs/dbraw/zinc/42/74/36/583427436.db2.gz BFIUNPIKBMUTBA-STQMWFEESA-N 1 3 328.413 -1.601 20 0 EAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861755333 583427208 /nfs/dbraw/zinc/42/72/08/583427208.db2.gz NDIOOGLLOYMIOV-KBPBESRZSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861755334 583427286 /nfs/dbraw/zinc/42/72/86/583427286.db2.gz NDIOOGLLOYMIOV-KGLIPLIRSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861755335 583427830 /nfs/dbraw/zinc/42/78/30/583427830.db2.gz NDIOOGLLOYMIOV-UONOGXRCSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861755336 583427811 /nfs/dbraw/zinc/42/78/11/583427811.db2.gz NDIOOGLLOYMIOV-ZIAGYGMSSA-N 1 3 342.440 -1.340 20 0 EAADHO [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861755744 583427762 /nfs/dbraw/zinc/42/77/62/583427762.db2.gz PJJZBSYPRUYVSU-CHWSQXEVSA-N 1 3 328.413 -1.553 20 0 EAADHO [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861755748 583427722 /nfs/dbraw/zinc/42/77/22/583427722.db2.gz PJJZBSYPRUYVSU-OLZOCXBDSA-N 1 3 328.413 -1.553 20 0 EAADHO [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861755750 583427787 /nfs/dbraw/zinc/42/77/87/583427787.db2.gz PJJZBSYPRUYVSU-QWHCGFSZSA-N 1 3 328.413 -1.553 20 0 EAADHO [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861755752 583427730 /nfs/dbraw/zinc/42/77/30/583427730.db2.gz PJJZBSYPRUYVSU-STQMWFEESA-N 1 3 328.413 -1.553 20 0 EAADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861756384 583427799 /nfs/dbraw/zinc/42/77/99/583427799.db2.gz YPQBTEBUUABTKY-CHWSQXEVSA-N 1 3 328.413 -1.682 20 0 EAADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861756385 583427707 /nfs/dbraw/zinc/42/77/07/583427707.db2.gz YPQBTEBUUABTKY-OLZOCXBDSA-N 1 3 328.413 -1.682 20 0 EAADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861756386 583427770 /nfs/dbraw/zinc/42/77/70/583427770.db2.gz YPQBTEBUUABTKY-QWHCGFSZSA-N 1 3 328.413 -1.682 20 0 EAADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861756387 583427781 /nfs/dbraw/zinc/42/77/81/583427781.db2.gz YPQBTEBUUABTKY-STQMWFEESA-N 1 3 328.413 -1.682 20 0 EAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000861759977 583427717 /nfs/dbraw/zinc/42/77/17/583427717.db2.gz RWVQJXZVUBGNDK-CHWSQXEVSA-N 1 3 341.456 -1.149 20 0 EAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000861759980 583427791 /nfs/dbraw/zinc/42/77/91/583427791.db2.gz RWVQJXZVUBGNDK-OLZOCXBDSA-N 1 3 341.456 -1.149 20 0 EAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000861759981 583427820 /nfs/dbraw/zinc/42/78/20/583427820.db2.gz RWVQJXZVUBGNDK-QWHCGFSZSA-N 1 3 341.456 -1.149 20 0 EAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000861759982 583427757 /nfs/dbraw/zinc/42/77/57/583427757.db2.gz RWVQJXZVUBGNDK-STQMWFEESA-N 1 3 341.456 -1.149 20 0 EAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000863754385 583434537 /nfs/dbraw/zinc/43/45/37/583434537.db2.gz NGAMRSUYGMJCAK-CYBMUJFWSA-N 1 3 339.440 -1.441 20 0 EAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000863754387 583434464 /nfs/dbraw/zinc/43/44/64/583434464.db2.gz NGAMRSUYGMJCAK-ZDUSSCGKSA-N 1 3 339.440 -1.441 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863754813 583434411 /nfs/dbraw/zinc/43/44/11/583434411.db2.gz RUVQVARRSUDVPR-CYBMUJFWSA-N 1 3 341.456 -1.195 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863754814 583434798 /nfs/dbraw/zinc/43/47/98/583434798.db2.gz RUVQVARRSUDVPR-ZDUSSCGKSA-N 1 3 341.456 -1.195 20 0 EAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000863765707 583434984 /nfs/dbraw/zinc/43/49/84/583434984.db2.gz SMHGPAJTIAIICK-CHWSQXEVSA-N 1 3 339.440 -1.443 20 0 EAADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000863765708 583434975 /nfs/dbraw/zinc/43/49/75/583434975.db2.gz SMHGPAJTIAIICK-OLZOCXBDSA-N 1 3 339.440 -1.443 20 0 EAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000863765709 583434871 /nfs/dbraw/zinc/43/48/71/583434871.db2.gz SMHGPAJTIAIICK-QWHCGFSZSA-N 1 3 339.440 -1.443 20 0 EAADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000863765710 583434829 /nfs/dbraw/zinc/43/48/29/583434829.db2.gz SMHGPAJTIAIICK-STQMWFEESA-N 1 3 339.440 -1.443 20 0 EAADHO CN1C(=O)[C@H]2CN([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1=O ZINC000864352134 583436187 /nfs/dbraw/zinc/43/61/87/583436187.db2.gz SHIPGLPVBKEYES-GRYCIOLGSA-N 1 3 336.392 -1.388 20 0 EAADHO CN1C(=O)[C@H]2CN([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1=O ZINC000864352135 583436383 /nfs/dbraw/zinc/43/63/83/583436383.db2.gz SHIPGLPVBKEYES-TUAOUCFPSA-N 1 3 336.392 -1.388 20 0 EAADHO O=C(CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCNCC1 ZINC000866714694 583438649 /nfs/dbraw/zinc/43/86/49/583438649.db2.gz VKFNSMDGSJUPIK-MCIONIFRSA-N 1 3 337.424 -1.325 20 0 EAADHO O=C(CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCNCC1 ZINC000866714695 583438694 /nfs/dbraw/zinc/43/86/94/583438694.db2.gz VKFNSMDGSJUPIK-MJBXVCDLSA-N 1 3 337.424 -1.325 20 0 EAADHO Cc1nonc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000872856129 583447192 /nfs/dbraw/zinc/44/71/92/583447192.db2.gz VNOZNKKVNITPJX-UHFFFAOYSA-N 1 3 326.401 -1.054 20 0 EAADHO COC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CNCCO1 ZINC000876782360 583452092 /nfs/dbraw/zinc/45/20/92/583452092.db2.gz PGUHLXPEIMNNNN-GDBMZVCRSA-N 1 3 328.457 -1.009 20 0 EAADHO COC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CNCCO1 ZINC000876782361 583452218 /nfs/dbraw/zinc/45/22/18/583452218.db2.gz PGUHLXPEIMNNNN-GOEBONIOSA-N 1 3 328.457 -1.009 20 0 EAADHO COC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CNCCO1 ZINC000876782363 583452108 /nfs/dbraw/zinc/45/21/08/583452108.db2.gz PGUHLXPEIMNNNN-HOCLYGCPSA-N 1 3 328.457 -1.009 20 0 EAADHO COC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CNCCO1 ZINC000876782365 583452203 /nfs/dbraw/zinc/45/22/03/583452203.db2.gz PGUHLXPEIMNNNN-ZBFHGGJFSA-N 1 3 328.457 -1.009 20 0 EAADHO COC(=O)[C@]1(O)CCN(CCCC[N@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564398 583456867 /nfs/dbraw/zinc/45/68/67/583456867.db2.gz LSEGLJFQBONXGH-HOTGVXAUSA-N 1 3 344.408 -1.014 20 0 EAADHO COC(=O)[C@]1(O)CCN(CCCC[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564398 583456865 /nfs/dbraw/zinc/45/68/65/583456865.db2.gz LSEGLJFQBONXGH-HOTGVXAUSA-N 1 3 344.408 -1.014 20 0 EAADHO COC(=O)[C@@]1(O)CCN(CCCC[N@H+]2CC[C@](O)(C(=O)OC)C2)C1 ZINC000880564399 583456883 /nfs/dbraw/zinc/45/68/83/583456883.db2.gz LSEGLJFQBONXGH-HZPDHXFCSA-N 1 3 344.408 -1.014 20 0 EAADHO COC(=O)[C@@]1(O)CCN(CCCC[N@@H+]2CC[C@](O)(C(=O)OC)C2)C1 ZINC000880564399 583456881 /nfs/dbraw/zinc/45/68/81/583456881.db2.gz LSEGLJFQBONXGH-HZPDHXFCSA-N 1 3 344.408 -1.014 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000884669681 583464389 /nfs/dbraw/zinc/46/43/89/583464389.db2.gz CVZGAEAWSXBNSW-UONOGXRCSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000884669682 583464558 /nfs/dbraw/zinc/46/45/58/583464558.db2.gz CVZGAEAWSXBNSW-ZIAGYGMSSA-N 1 3 325.457 -1.064 20 0 EAADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884669833 583464314 /nfs/dbraw/zinc/46/43/14/583464314.db2.gz IBFCTYNLIFWIMA-ILXRZTDVSA-N 1 3 337.468 -1.051 20 0 EAADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884669834 583464456 /nfs/dbraw/zinc/46/44/56/583464456.db2.gz IBFCTYNLIFWIMA-KKUMJFAQSA-N 1 3 337.468 -1.051 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000884670228 583464528 /nfs/dbraw/zinc/46/45/28/583464528.db2.gz SAELBVLASVJNTJ-KFWWJZLASA-N 1 3 337.468 -1.051 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000884670229 583464439 /nfs/dbraw/zinc/46/44/39/583464439.db2.gz SAELBVLASVJNTJ-SOUVJXGZSA-N 1 3 337.468 -1.051 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)CN1CCN(C)CC1 ZINC000884670294 583464592 /nfs/dbraw/zinc/46/45/92/583464592.db2.gz UXSVPTCBHUHMOG-HZSPNIEDSA-N 1 3 325.457 -1.066 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)CN1CCN(C)CC1 ZINC000884670295 583464418 /nfs/dbraw/zinc/46/44/18/583464418.db2.gz UXSVPTCBHUHMOG-MCIONIFRSA-N 1 3 325.457 -1.066 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)CN1CCN(C)CC1 ZINC000884670296 583464581 /nfs/dbraw/zinc/46/45/81/583464581.db2.gz UXSVPTCBHUHMOG-MGPQQGTHSA-N 1 3 325.457 -1.066 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)CN1CCN(C)CC1 ZINC000884670297 583464409 /nfs/dbraw/zinc/46/44/09/583464409.db2.gz UXSVPTCBHUHMOG-RDBSUJKOSA-N 1 3 325.457 -1.066 20 0 EAADHO CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CCC1(C)C ZINC000884677142 583464518 /nfs/dbraw/zinc/46/45/18/583464518.db2.gz IRTCVSDZCDKFFM-UHFFFAOYSA-N 1 3 325.457 -1.050 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCNC1=O ZINC000898696318 583196705 /nfs/dbraw/zinc/19/67/05/583196705.db2.gz FXCDBCWKSREITI-UHFFFAOYSA-N 1 3 342.444 -1.920 20 0 EAADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(=O)n(C)c(=O)n1C)C2 ZINC000903492099 674086360 /nfs/dbraw/zinc/08/63/60/674086360.db2.gz JMMKGKSHAOQZAP-USBNGQNGSA-N 1 3 336.392 -1.204 20 0 EAADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C2 ZINC000903719558 674095864 /nfs/dbraw/zinc/09/58/64/674095864.db2.gz OIVKVNNACBWSCY-OZVIIMIRSA-N 1 3 340.424 -1.255 20 0 EAADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCNCCNCC2)CCCC1 ZINC000910952145 669397498 /nfs/dbraw/zinc/39/74/98/669397498.db2.gz IBKYWMNELAOJNH-UHFFFAOYSA-N 1 3 325.457 -1.002 20 0 EAADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000910960433 669397975 /nfs/dbraw/zinc/39/79/75/669397975.db2.gz UDOKQUCLOFZBLJ-UHFFFAOYSA-N 1 3 325.457 -1.003 20 0 EAADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911004469 669399688 /nfs/dbraw/zinc/39/96/88/669399688.db2.gz QSYSUENUMGKWIW-UHFFFAOYSA-N 1 3 325.457 -1.144 20 0 EAADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911014394 669400688 /nfs/dbraw/zinc/40/06/88/669400688.db2.gz JVUHPAGSLDEYNF-AWEZNQCLSA-N 1 3 325.457 -1.144 20 0 EAADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911014394 669400683 /nfs/dbraw/zinc/40/06/83/669400683.db2.gz JVUHPAGSLDEYNF-AWEZNQCLSA-N 1 3 325.457 -1.144 20 0 EAADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911014395 669400468 /nfs/dbraw/zinc/40/04/68/669400468.db2.gz JVUHPAGSLDEYNF-CQSZACIVSA-N 1 3 325.457 -1.144 20 0 EAADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911014395 669400465 /nfs/dbraw/zinc/40/04/65/669400465.db2.gz JVUHPAGSLDEYNF-CQSZACIVSA-N 1 3 325.457 -1.144 20 0 EAADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCNCCNCC1)C1CC1 ZINC000911016281 669400329 /nfs/dbraw/zinc/40/03/29/669400329.db2.gz BVXTYRUSRXUANN-UHFFFAOYSA-N 1 3 325.457 -1.002 20 0 EAADHO C[N@H+](CCCCNC(=O)C(=O)N1CCNCCNCC1)C1CC1 ZINC000911016281 669400323 /nfs/dbraw/zinc/40/03/23/669400323.db2.gz BVXTYRUSRXUANN-UHFFFAOYSA-N 1 3 325.457 -1.002 20 0 EAADHO COC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000911029068 669400449 /nfs/dbraw/zinc/40/04/49/669400449.db2.gz BPWJUIJTPUVGBO-CHWSQXEVSA-N 1 3 327.429 -2.205 20 0 EAADHO COC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000911029068 669400447 /nfs/dbraw/zinc/40/04/47/669400447.db2.gz BPWJUIJTPUVGBO-CHWSQXEVSA-N 1 3 327.429 -2.205 20 0 EAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000911029069 669400493 /nfs/dbraw/zinc/40/04/93/669400493.db2.gz BPWJUIJTPUVGBO-OLZOCXBDSA-N 1 3 327.429 -2.205 20 0 EAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000911029069 669400490 /nfs/dbraw/zinc/40/04/90/669400490.db2.gz BPWJUIJTPUVGBO-OLZOCXBDSA-N 1 3 327.429 -2.205 20 0 EAADHO COC[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000911029070 669400576 /nfs/dbraw/zinc/40/05/76/669400576.db2.gz BPWJUIJTPUVGBO-QWHCGFSZSA-N 1 3 327.429 -2.205 20 0 EAADHO COC[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000911029070 669400573 /nfs/dbraw/zinc/40/05/73/669400573.db2.gz BPWJUIJTPUVGBO-QWHCGFSZSA-N 1 3 327.429 -2.205 20 0 EAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000911029071 669400651 /nfs/dbraw/zinc/40/06/51/669400651.db2.gz BPWJUIJTPUVGBO-STQMWFEESA-N 1 3 327.429 -2.205 20 0 EAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000911029071 669400649 /nfs/dbraw/zinc/40/06/49/669400649.db2.gz BPWJUIJTPUVGBO-STQMWFEESA-N 1 3 327.429 -2.205 20 0 EAADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000911030990 669400374 /nfs/dbraw/zinc/40/03/74/669400374.db2.gz OEUZXBVCLNCOEK-KBPBESRZSA-N 1 3 341.456 -1.815 20 0 EAADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000911030991 669400178 /nfs/dbraw/zinc/40/01/78/669400178.db2.gz OEUZXBVCLNCOEK-KGLIPLIRSA-N 1 3 341.456 -1.815 20 0 EAADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000911030992 669400672 /nfs/dbraw/zinc/40/06/72/669400672.db2.gz OEUZXBVCLNCOEK-UONOGXRCSA-N 1 3 341.456 -1.815 20 0 EAADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000911030993 669400599 /nfs/dbraw/zinc/40/05/99/669400599.db2.gz OEUZXBVCLNCOEK-ZIAGYGMSSA-N 1 3 341.456 -1.815 20 0 EAADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911056158 669400699 /nfs/dbraw/zinc/40/06/99/669400699.db2.gz VCHFIHGOBOOWRW-AWEZNQCLSA-N 1 3 325.457 -1.002 20 0 EAADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911056326 669400226 /nfs/dbraw/zinc/40/02/26/669400226.db2.gz VCHFIHGOBOOWRW-CQSZACIVSA-N 1 3 325.457 -1.002 20 0 EAADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911082087 669401471 /nfs/dbraw/zinc/40/14/71/669401471.db2.gz ZXYARRKLJIQGAH-KBPBESRZSA-N 1 3 325.457 -1.003 20 0 EAADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911082089 669401317 /nfs/dbraw/zinc/40/13/17/669401317.db2.gz ZXYARRKLJIQGAH-KGLIPLIRSA-N 1 3 325.457 -1.003 20 0 EAADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911082091 669401461 /nfs/dbraw/zinc/40/14/61/669401461.db2.gz ZXYARRKLJIQGAH-UONOGXRCSA-N 1 3 325.457 -1.003 20 0 EAADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911082093 669401478 /nfs/dbraw/zinc/40/14/78/669401478.db2.gz ZXYARRKLJIQGAH-ZIAGYGMSSA-N 1 3 325.457 -1.003 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1[NH3+] ZINC000911095550 669402981 /nfs/dbraw/zinc/40/29/81/669402981.db2.gz CEJLMRJFCXMSDR-CHWSQXEVSA-N 1 3 325.457 -1.066 20 0 EAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000911096252 669403030 /nfs/dbraw/zinc/40/30/30/669403030.db2.gz IRFBQJLVZJPTPW-CHWSQXEVSA-N 1 3 325.457 -1.147 20 0 EAADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147469 669405309 /nfs/dbraw/zinc/40/53/09/669405309.db2.gz IRVILMGMYSYMKJ-KBPBESRZSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147469 669405306 /nfs/dbraw/zinc/40/53/06/669405306.db2.gz IRVILMGMYSYMKJ-KBPBESRZSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147470 669405325 /nfs/dbraw/zinc/40/53/25/669405325.db2.gz IRVILMGMYSYMKJ-KGLIPLIRSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147470 669405323 /nfs/dbraw/zinc/40/53/23/669405323.db2.gz IRVILMGMYSYMKJ-KGLIPLIRSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147471 669405285 /nfs/dbraw/zinc/40/52/85/669405285.db2.gz IRVILMGMYSYMKJ-UONOGXRCSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147471 669405283 /nfs/dbraw/zinc/40/52/83/669405283.db2.gz IRVILMGMYSYMKJ-UONOGXRCSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147472 669405229 /nfs/dbraw/zinc/40/52/29/669405229.db2.gz IRVILMGMYSYMKJ-ZIAGYGMSSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCCNCC1 ZINC000911147472 669405226 /nfs/dbraw/zinc/40/52/26/669405226.db2.gz IRVILMGMYSYMKJ-ZIAGYGMSSA-N 1 3 339.440 -2.013 20 0 EAADHO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911178240 669407816 /nfs/dbraw/zinc/40/78/16/669407816.db2.gz ZJZARHSXLYYBGM-UHFFFAOYSA-N 1 3 329.445 -1.908 20 0 EAADHO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911178240 669407811 /nfs/dbraw/zinc/40/78/11/669407811.db2.gz ZJZARHSXLYYBGM-UHFFFAOYSA-N 1 3 329.445 -1.908 20 0 EAADHO COC[C@@H]1CNCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187887 669407150 /nfs/dbraw/zinc/40/71/50/669407150.db2.gz VHRUHKBEDGISHW-AWEZNQCLSA-N 1 3 342.440 -1.338 20 0 EAADHO COC[C@H]1CNCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187898 669406984 /nfs/dbraw/zinc/40/69/84/669406984.db2.gz VHRUHKBEDGISHW-CQSZACIVSA-N 1 3 342.440 -1.338 20 0 EAADHO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCNCCNCC2)CCSC1 ZINC000911198588 669409149 /nfs/dbraw/zinc/40/91/49/669409149.db2.gz IBJFWYCLEOHMMP-HNNXBMFYSA-N 1 3 343.497 -1.439 20 0 EAADHO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCNCCNCC2)CCSC1 ZINC000911198589 669409317 /nfs/dbraw/zinc/40/93/17/669409317.db2.gz IBJFWYCLEOHMMP-OAHLLOKOSA-N 1 3 343.497 -1.439 20 0 EAADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCSC1 ZINC000911200123 669407999 /nfs/dbraw/zinc/40/79/99/669407999.db2.gz PVDQTFKUDAACCA-CABCVRRESA-N 1 3 344.481 -1.148 20 0 EAADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCSC1 ZINC000911200124 669408004 /nfs/dbraw/zinc/40/80/04/669408004.db2.gz PVDQTFKUDAACCA-GJZGRUSLSA-N 1 3 344.481 -1.148 20 0 EAADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCSC1 ZINC000911200125 669407753 /nfs/dbraw/zinc/40/77/53/669407753.db2.gz PVDQTFKUDAACCA-HUUCEWRRSA-N 1 3 344.481 -1.148 20 0 EAADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCSC1 ZINC000911200126 669407781 /nfs/dbraw/zinc/40/77/81/669407781.db2.gz PVDQTFKUDAACCA-LSDHHAIUSA-N 1 3 344.481 -1.148 20 0 EAADHO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCNCCNCC1 ZINC000911220976 669409374 /nfs/dbraw/zinc/40/93/74/669409374.db2.gz ZTRXYKUIPLYXLD-UHFFFAOYSA-N 1 3 337.468 -1.002 20 0 EAADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911230557 669410698 /nfs/dbraw/zinc/41/06/98/669410698.db2.gz ICMUDFLKNHTSFO-UHFFFAOYSA-N 1 3 329.445 -1.908 20 0 EAADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911230557 669410693 /nfs/dbraw/zinc/41/06/93/669410693.db2.gz ICMUDFLKNHTSFO-UHFFFAOYSA-N 1 3 329.445 -1.908 20 0 EAADHO C[N@@H+](CCNC(=O)C(=O)N1CCNCCNCC1)C1CCCC1 ZINC000911235896 669409434 /nfs/dbraw/zinc/40/94/34/669409434.db2.gz KKHQMBNPIMEHRM-UHFFFAOYSA-N 1 3 325.457 -1.002 20 0 EAADHO C[N@H+](CCNC(=O)C(=O)N1CCNCCNCC1)C1CCCC1 ZINC000911235896 669409429 /nfs/dbraw/zinc/40/94/29/669409429.db2.gz KKHQMBNPIMEHRM-UHFFFAOYSA-N 1 3 325.457 -1.002 20 0 EAADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC[C@@H]2COC)C1 ZINC000911239119 669409578 /nfs/dbraw/zinc/40/95/78/669409578.db2.gz AIQDKIVACUHACA-CHWSQXEVSA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC[C@@H]2COC)C1 ZINC000911239119 669409573 /nfs/dbraw/zinc/40/95/73/669409573.db2.gz AIQDKIVACUHACA-CHWSQXEVSA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC[C@H]2COC)C1 ZINC000911239122 669409197 /nfs/dbraw/zinc/40/91/97/669409197.db2.gz AIQDKIVACUHACA-OLZOCXBDSA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC[C@H]2COC)C1 ZINC000911239122 669409194 /nfs/dbraw/zinc/40/91/94/669409194.db2.gz AIQDKIVACUHACA-OLZOCXBDSA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNC[C@@H]2COC)C1 ZINC000911239124 669409403 /nfs/dbraw/zinc/40/94/03/669409403.db2.gz AIQDKIVACUHACA-QWHCGFSZSA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCNC[C@@H]2COC)C1 ZINC000911239124 669409400 /nfs/dbraw/zinc/40/94/00/669409400.db2.gz AIQDKIVACUHACA-QWHCGFSZSA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNC[C@H]2COC)C1 ZINC000911239127 669409330 /nfs/dbraw/zinc/40/93/30/669409330.db2.gz AIQDKIVACUHACA-STQMWFEESA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCNC[C@H]2COC)C1 ZINC000911239127 669409327 /nfs/dbraw/zinc/40/93/27/669409327.db2.gz AIQDKIVACUHACA-STQMWFEESA-N 1 3 328.413 -1.730 20 0 EAADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000911240195 669409455 /nfs/dbraw/zinc/40/94/55/669409455.db2.gz HVCWIBKPTZVBLT-KBPBESRZSA-N 1 3 342.440 -1.340 20 0 EAADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000911240196 669409225 /nfs/dbraw/zinc/40/92/25/669409225.db2.gz HVCWIBKPTZVBLT-KGLIPLIRSA-N 1 3 342.440 -1.340 20 0 EAADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000911240197 669409360 /nfs/dbraw/zinc/40/93/60/669409360.db2.gz HVCWIBKPTZVBLT-UONOGXRCSA-N 1 3 342.440 -1.340 20 0 EAADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000911240199 669409091 /nfs/dbraw/zinc/40/90/91/669409091.db2.gz HVCWIBKPTZVBLT-ZIAGYGMSSA-N 1 3 342.440 -1.340 20 0 EAADHO COCCN1CC[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911242165 669410018 /nfs/dbraw/zinc/41/00/18/669410018.db2.gz OXMRANRKWKVAPZ-CYBMUJFWSA-N 1 3 327.429 -2.155 20 0 EAADHO COCCN1CC[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911242166 669410285 /nfs/dbraw/zinc/41/02/85/669410285.db2.gz OXMRANRKWKVAPZ-ZDUSSCGKSA-N 1 3 327.429 -2.155 20 0 EAADHO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCNCCNCC1 ZINC000911258070 669412407 /nfs/dbraw/zinc/41/24/07/669412407.db2.gz MEQASUNRYZHORI-UHFFFAOYSA-N 1 3 337.468 -1.002 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)CN1CCN(C)CC1 ZINC000911267850 669412392 /nfs/dbraw/zinc/41/23/92/669412392.db2.gz AFTUOPNZKRGHAK-BFHYXJOUSA-N 1 3 325.457 -1.290 20 0 EAADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)CN1CCN(C)CC1 ZINC000911267863 669412523 /nfs/dbraw/zinc/41/25/23/669412523.db2.gz AFTUOPNZKRGHAK-MGPQQGTHSA-N 1 3 325.457 -1.290 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000911268352 669412431 /nfs/dbraw/zinc/41/24/31/669412431.db2.gz DMDGAABDIBCERL-BFHYXJOUSA-N 1 3 325.457 -1.208 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000911268693 669412254 /nfs/dbraw/zinc/41/22/54/669412254.db2.gz DMDGAABDIBCERL-MGPQQGTHSA-N 1 3 325.457 -1.208 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CCNCCNCC1)C[NH+]1CCCC1 ZINC000911269388 669411036 /nfs/dbraw/zinc/41/10/36/669411036.db2.gz KIKLPTVSWYALLM-AWEZNQCLSA-N 1 3 325.457 -1.144 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCNCCNCC1)C[NH+]1CCCC1 ZINC000911269389 669411254 /nfs/dbraw/zinc/41/12/54/669411254.db2.gz KIKLPTVSWYALLM-CQSZACIVSA-N 1 3 325.457 -1.144 20 0 EAADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)CN1CCN(C)CC1 ZINC000911269728 669410947 /nfs/dbraw/zinc/41/09/47/669410947.db2.gz OTSQMTKAGFQRJB-APIJFGDWSA-N 1 3 337.468 -1.005 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)CN1CCN(C)CC1 ZINC000911269729 669411323 /nfs/dbraw/zinc/41/13/23/669411323.db2.gz OTSQMTKAGFQRJB-BYNSBNAKSA-N 1 3 337.468 -1.005 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)CN1CCN(C)CC1 ZINC000911269730 669410861 /nfs/dbraw/zinc/41/08/61/669410861.db2.gz OTSQMTKAGFQRJB-LJISPDSOSA-N 1 3 337.468 -1.005 20 0 EAADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)CN1CCN(C)CC1 ZINC000911269731 669410791 /nfs/dbraw/zinc/41/07/91/669410791.db2.gz OTSQMTKAGFQRJB-LXTVHRRPSA-N 1 3 337.468 -1.005 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000911270064 669410997 /nfs/dbraw/zinc/41/09/97/669410997.db2.gz ROBKWYYDTLZQRJ-KBPBESRZSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000911270065 669411014 /nfs/dbraw/zinc/41/10/14/669411014.db2.gz ROBKWYYDTLZQRJ-KGLIPLIRSA-N 1 3 325.457 -1.064 20 0 EAADHO CC1(C)CCN(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000911272453 669411148 /nfs/dbraw/zinc/41/11/48/669411148.db2.gz AZCMPCLKZNXSIT-UHFFFAOYSA-N 1 3 325.457 -1.144 20 0 EAADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911314639 669415213 /nfs/dbraw/zinc/41/52/13/669415213.db2.gz KQMJMXNLJLPXNA-UHFFFAOYSA-N 1 3 325.457 -1.003 20 0 EAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000911374761 669419843 /nfs/dbraw/zinc/41/98/43/669419843.db2.gz NRWVRKJLKPSJQD-ZIAGYGMSSA-N 1 3 325.457 -1.194 20 0 EAADHO CCO[C@H](CNC(=O)C(=O)N1CCNCCNCC1)C[NH+](C)C ZINC000911436509 669422161 /nfs/dbraw/zinc/42/21/61/669422161.db2.gz UKEVZEGDYCEUEI-CYBMUJFWSA-N 1 3 329.445 -1.909 20 0 EAADHO CCO[C@@H](CNC(=O)C(=O)N1CCNCCNCC1)C[NH+](C)C ZINC000911436510 669422329 /nfs/dbraw/zinc/42/23/29/669422329.db2.gz UKEVZEGDYCEUEI-ZDUSSCGKSA-N 1 3 329.445 -1.909 20 0 EAADHO Cc1cccc(NCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)n1 ZINC000911480198 669427955 /nfs/dbraw/zinc/42/79/55/669427955.db2.gz FOBVLEKIXJYHRM-UHFFFAOYSA-N 1 3 334.424 -1.060 20 0 EAADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000911503982 669427814 /nfs/dbraw/zinc/42/78/14/669427814.db2.gz FQIWUKNPBIOQTN-UHFFFAOYSA-N 1 3 337.424 -1.640 20 0 EAADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504635 669427990 /nfs/dbraw/zinc/42/79/90/669427990.db2.gz MATWMCHJJDQLAB-UHFFFAOYSA-N 1 3 339.440 -1.394 20 0 EAADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506328 669427624 /nfs/dbraw/zinc/42/76/24/669427624.db2.gz ZMZQGZHCGAOBAG-GFCCVEGCSA-N 1 3 337.424 -1.641 20 0 EAADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506329 669427919 /nfs/dbraw/zinc/42/79/19/669427919.db2.gz ZMZQGZHCGAOBAG-LBPRGKRZSA-N 1 3 337.424 -1.641 20 0 EAADHO CN1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000911533253 669428411 /nfs/dbraw/zinc/42/84/11/669428411.db2.gz OIPAXAZVLUBMIM-CYBMUJFWSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000911533254 669428388 /nfs/dbraw/zinc/42/83/88/669428388.db2.gz OIPAXAZVLUBMIM-ZDUSSCGKSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CC[N@@H+](C)CC(C(=O)NCCCN2CCC[C@H]2C(N)=O)C1 ZINC000912991996 669465276 /nfs/dbraw/zinc/46/52/76/669465276.db2.gz UFSKHEPTYFLVIR-AWEZNQCLSA-N 1 3 325.457 -1.064 20 0 EAADHO CN1CC[N@H+](C)CC(C(=O)NCCCN2CCC[C@H]2C(N)=O)C1 ZINC000912991996 669465273 /nfs/dbraw/zinc/46/52/73/669465273.db2.gz UFSKHEPTYFLVIR-AWEZNQCLSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(S(N)(=O)=O)C1 ZINC000923201095 669594691 /nfs/dbraw/zinc/59/46/91/669594691.db2.gz JVBMDLCKBANEFN-NSHDSACASA-N 1 3 335.474 -1.059 20 0 EAADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(S(N)(=O)=O)C1 ZINC000923201095 669594690 /nfs/dbraw/zinc/59/46/90/669594690.db2.gz JVBMDLCKBANEFN-NSHDSACASA-N 1 3 335.474 -1.059 20 0 EAADHO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333826 669602313 /nfs/dbraw/zinc/60/23/13/669602313.db2.gz TWRCCBLKKNCVCB-CABCVRRESA-N 1 3 328.457 -1.178 20 0 EAADHO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333826 669602311 /nfs/dbraw/zinc/60/23/11/669602311.db2.gz TWRCCBLKKNCVCB-CABCVRRESA-N 1 3 328.457 -1.178 20 0 EAADHO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333827 669602752 /nfs/dbraw/zinc/60/27/52/669602752.db2.gz TWRCCBLKKNCVCB-GJZGRUSLSA-N 1 3 328.457 -1.178 20 0 EAADHO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333827 669602747 /nfs/dbraw/zinc/60/27/47/669602747.db2.gz TWRCCBLKKNCVCB-GJZGRUSLSA-N 1 3 328.457 -1.178 20 0 EAADHO COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333828 669602683 /nfs/dbraw/zinc/60/26/83/669602683.db2.gz TWRCCBLKKNCVCB-HUUCEWRRSA-N 1 3 328.457 -1.178 20 0 EAADHO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333828 669602681 /nfs/dbraw/zinc/60/26/81/669602681.db2.gz TWRCCBLKKNCVCB-HUUCEWRRSA-N 1 3 328.457 -1.178 20 0 EAADHO 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C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349597 670107779 /nfs/dbraw/zinc/10/77/79/670107779.db2.gz IDQXSICMSMWROA-CABCVRRESA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349597 670107777 /nfs/dbraw/zinc/10/77/77/670107777.db2.gz IDQXSICMSMWROA-CABCVRRESA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349600 670107627 /nfs/dbraw/zinc/10/76/27/670107627.db2.gz IDQXSICMSMWROA-GJZGRUSLSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349600 670107619 /nfs/dbraw/zinc/10/76/19/670107619.db2.gz IDQXSICMSMWROA-GJZGRUSLSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349603 668377470 /nfs/dbraw/zinc/37/74/70/668377470.db2.gz IDQXSICMSMWROA-HUUCEWRRSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349603 668377467 /nfs/dbraw/zinc/37/74/67/668377467.db2.gz IDQXSICMSMWROA-HUUCEWRRSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349606 668377487 /nfs/dbraw/zinc/37/74/87/668377487.db2.gz IDQXSICMSMWROA-LSDHHAIUSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926349606 668377483 /nfs/dbraw/zinc/37/74/83/668377483.db2.gz IDQXSICMSMWROA-LSDHHAIUSA-N 1 3 337.468 -1.050 20 0 EAADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350964 668377638 /nfs/dbraw/zinc/37/76/38/668377638.db2.gz DYOBVPOMJDHDAT-AWEZNQCLSA-N 1 3 325.457 -1.192 20 0 EAADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350964 668377635 /nfs/dbraw/zinc/37/76/35/668377635.db2.gz DYOBVPOMJDHDAT-AWEZNQCLSA-N 1 3 325.457 -1.192 20 0 EAADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350968 668377674 /nfs/dbraw/zinc/37/76/74/668377674.db2.gz DYOBVPOMJDHDAT-CQSZACIVSA-N 1 3 325.457 -1.192 20 0 EAADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926350968 668377670 /nfs/dbraw/zinc/37/76/70/668377670.db2.gz DYOBVPOMJDHDAT-CQSZACIVSA-N 1 3 325.457 -1.192 20 0 EAADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21 ZINC000926368619 670108435 /nfs/dbraw/zinc/10/84/35/670108435.db2.gz VGEHGRFPTLKPSJ-CABCVRRESA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21 ZINC000926368619 670108431 /nfs/dbraw/zinc/10/84/31/670108431.db2.gz VGEHGRFPTLKPSJ-CABCVRRESA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21 ZINC000926368620 670108343 /nfs/dbraw/zinc/10/83/43/670108343.db2.gz VGEHGRFPTLKPSJ-GJZGRUSLSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@@H]21 ZINC000926368620 670108341 /nfs/dbraw/zinc/10/83/41/670108341.db2.gz VGEHGRFPTLKPSJ-GJZGRUSLSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21 ZINC000926368621 670108595 /nfs/dbraw/zinc/10/85/95/670108595.db2.gz VGEHGRFPTLKPSJ-HUUCEWRRSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21 ZINC000926368621 670108591 /nfs/dbraw/zinc/10/85/91/670108591.db2.gz VGEHGRFPTLKPSJ-HUUCEWRRSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21 ZINC000926368622 670108575 /nfs/dbraw/zinc/10/85/75/670108575.db2.gz VGEHGRFPTLKPSJ-LSDHHAIUSA-N 1 3 337.468 -1.050 20 0 EAADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)CC[C@H]21 ZINC000926368622 670108572 /nfs/dbraw/zinc/10/85/72/670108572.db2.gz VGEHGRFPTLKPSJ-LSDHHAIUSA-N 1 3 337.468 -1.050 20 0 EAADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926369257 668381164 /nfs/dbraw/zinc/38/11/64/668381164.db2.gz BUVXIFHNFQYPHW-UHFFFAOYSA-N 1 3 325.457 -1.050 20 0 EAADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926374529 668383077 /nfs/dbraw/zinc/38/30/77/668383077.db2.gz BMBTYFZCYRUEPY-UHFFFAOYSA-N 1 3 325.457 -1.003 20 0 EAADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926375856 670108172 /nfs/dbraw/zinc/10/81/72/670108172.db2.gz XGSFIABLGOHCLM-AWEZNQCLSA-N 1 3 325.457 -1.003 20 0 EAADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926375857 670108521 /nfs/dbraw/zinc/10/85/21/670108521.db2.gz XGSFIABLGOHCLM-CQSZACIVSA-N 1 3 325.457 -1.003 20 0 EAADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926379296 670108377 /nfs/dbraw/zinc/10/83/77/670108377.db2.gz GFAIOZHFQROSPB-AWEZNQCLSA-N 1 3 325.457 -1.051 20 0 EAADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926379296 670108375 /nfs/dbraw/zinc/10/83/75/670108375.db2.gz GFAIOZHFQROSPB-AWEZNQCLSA-N 1 3 325.457 -1.051 20 0 EAADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926379298 670108124 /nfs/dbraw/zinc/10/81/24/670108124.db2.gz GFAIOZHFQROSPB-CQSZACIVSA-N 1 3 325.457 -1.051 20 0 EAADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926379298 670108115 /nfs/dbraw/zinc/10/81/15/670108115.db2.gz GFAIOZHFQROSPB-CQSZACIVSA-N 1 3 325.457 -1.051 20 0 EAADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1 ZINC000926407669 668391814 /nfs/dbraw/zinc/39/18/14/668391814.db2.gz OXQWWVJEXAEXJE-KRWDZBQOSA-N 1 3 337.468 -1.048 20 0 EAADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1 ZINC000926407669 668391812 /nfs/dbraw/zinc/39/18/12/668391812.db2.gz OXQWWVJEXAEXJE-KRWDZBQOSA-N 1 3 337.468 -1.048 20 0 EAADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1 ZINC000926407671 668391929 /nfs/dbraw/zinc/39/19/29/668391929.db2.gz OXQWWVJEXAEXJE-QGZVFWFLSA-N 1 3 337.468 -1.048 20 0 EAADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCNCCNCC3)C2)C1 ZINC000926407671 668391926 /nfs/dbraw/zinc/39/19/26/668391926.db2.gz OXQWWVJEXAEXJE-QGZVFWFLSA-N 1 3 337.468 -1.048 20 0 EAADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926409146 670109273 /nfs/dbraw/zinc/10/92/73/670109273.db2.gz JRNNWKLSWYFRKI-UHFFFAOYSA-N 1 3 325.457 -1.192 20 0 EAADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939207737 669045772 /nfs/dbraw/zinc/04/57/72/669045772.db2.gz AOSIROPFOWYJEL-CMPLNLGQSA-N 1 3 334.380 -1.060 20 0 EAADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939207738 669045416 /nfs/dbraw/zinc/04/54/16/669045416.db2.gz AOSIROPFOWYJEL-JQWIXIFHSA-N 1 3 334.380 -1.060 20 0 EAADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939207739 669045544 /nfs/dbraw/zinc/04/55/44/669045544.db2.gz AOSIROPFOWYJEL-PWSUYJOCSA-N 1 3 334.380 -1.060 20 0 EAADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939207740 669045575 /nfs/dbraw/zinc/04/55/75/669045575.db2.gz AOSIROPFOWYJEL-ZYHUDNBSSA-N 1 3 334.380 -1.060 20 0 EAADHO O=C(N1CCC(O)(CN[C@@H]2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000946927589 669802536 /nfs/dbraw/zinc/80/25/36/669802536.db2.gz LEOKXMFVLVQDPP-CYBMUJFWSA-N 1 3 336.436 -1.086 20 0 EAADHO O=C(N1CCC(O)(CN[C@H]2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000946927590 669802525 /nfs/dbraw/zinc/80/25/25/669802525.db2.gz LEOKXMFVLVQDPP-ZDUSSCGKSA-N 1 3 336.436 -1.086 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958077173 670626704 /nfs/dbraw/zinc/62/67/04/670626704.db2.gz QTMZEALNAJSTJW-GXTWGEPZSA-N 1 3 325.413 -1.541 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958077174 670627249 /nfs/dbraw/zinc/62/72/49/670627249.db2.gz QTMZEALNAJSTJW-JSGCOSHPSA-N 1 3 325.413 -1.541 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958077175 670626936 /nfs/dbraw/zinc/62/69/36/670626936.db2.gz QTMZEALNAJSTJW-OCCSQVGLSA-N 1 3 325.413 -1.541 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958077176 670626736 /nfs/dbraw/zinc/62/67/36/670626736.db2.gz QTMZEALNAJSTJW-TZMCWYRMSA-N 1 3 325.413 -1.541 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cn1 ZINC000958468301 670699491 /nfs/dbraw/zinc/69/94/91/670699491.db2.gz WDGSPQUOOUWFER-GXTWGEPZSA-N 1 3 325.413 -1.541 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000958468302 670699725 /nfs/dbraw/zinc/69/97/25/670699725.db2.gz WDGSPQUOOUWFER-JSGCOSHPSA-N 1 3 325.413 -1.541 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000958468303 670699617 /nfs/dbraw/zinc/69/96/17/670699617.db2.gz WDGSPQUOOUWFER-OCCSQVGLSA-N 1 3 325.413 -1.541 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cn1 ZINC000958468304 670699274 /nfs/dbraw/zinc/69/92/74/670699274.db2.gz WDGSPQUOOUWFER-TZMCWYRMSA-N 1 3 325.413 -1.541 20 0 EAADHO O=C(NC[C@H]1CN(CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958596006 670725825 /nfs/dbraw/zinc/72/58/25/670725825.db2.gz XVKXTGFNULZIFT-KBPBESRZSA-N 1 3 334.424 -1.217 20 0 EAADHO O=C(NC[C@@H]1CN(CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958596007 670725690 /nfs/dbraw/zinc/72/56/90/670725690.db2.gz XVKXTGFNULZIFT-KGLIPLIRSA-N 1 3 334.424 -1.217 20 0 EAADHO O=C(NC[C@H]1CN(CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958596008 670725534 /nfs/dbraw/zinc/72/55/34/670725534.db2.gz XVKXTGFNULZIFT-UONOGXRCSA-N 1 3 334.424 -1.217 20 0 EAADHO O=C(NC[C@@H]1CN(CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958596009 670725810 /nfs/dbraw/zinc/72/58/10/670725810.db2.gz XVKXTGFNULZIFT-ZIAGYGMSSA-N 1 3 334.424 -1.217 20 0 EAADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958850959 670789099 /nfs/dbraw/zinc/78/90/99/670789099.db2.gz WTLYZHMQYNKLII-UBHSHLNASA-N 1 3 335.408 -1.066 20 0 EAADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958850959 670789097 /nfs/dbraw/zinc/78/90/97/670789097.db2.gz WTLYZHMQYNKLII-UBHSHLNASA-N 1 3 335.408 -1.066 20 0 EAADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958850960 670789135 /nfs/dbraw/zinc/78/91/35/670789135.db2.gz WTLYZHMQYNKLII-XBFCOCLRSA-N 1 3 335.408 -1.066 20 0 EAADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1O ZINC000958850960 670789130 /nfs/dbraw/zinc/78/91/30/670789130.db2.gz WTLYZHMQYNKLII-XBFCOCLRSA-N 1 3 335.408 -1.066 20 0 EAADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958978421 671891545 /nfs/dbraw/zinc/89/15/45/671891545.db2.gz DCCZRIMELBBCEW-UBHSHLNASA-N 1 3 335.408 -1.066 20 0 EAADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958978421 671891541 /nfs/dbraw/zinc/89/15/41/671891541.db2.gz DCCZRIMELBBCEW-UBHSHLNASA-N 1 3 335.408 -1.066 20 0 EAADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958978423 671891798 /nfs/dbraw/zinc/89/17/98/671891798.db2.gz DCCZRIMELBBCEW-XBFCOCLRSA-N 1 3 335.408 -1.066 20 0 EAADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958978423 671891793 /nfs/dbraw/zinc/89/17/93/671891793.db2.gz DCCZRIMELBBCEW-XBFCOCLRSA-N 1 3 335.408 -1.066 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000959953455 671919968 /nfs/dbraw/zinc/91/99/68/671919968.db2.gz MNWLOCBMZBSSNH-MYZSUADSSA-N 1 3 346.435 -1.007 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000959953464 671919818 /nfs/dbraw/zinc/91/98/18/671919818.db2.gz MNWLOCBMZBSSNH-OSRDXIQISA-N 1 3 346.435 -1.007 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)cn1 ZINC000962016522 672051075 /nfs/dbraw/zinc/05/10/75/672051075.db2.gz KXVDEHWZDAMCEN-BARDWOONSA-N 1 3 346.435 -1.007 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)cn1 ZINC000962016527 672051212 /nfs/dbraw/zinc/05/12/12/672051212.db2.gz KXVDEHWZDAMCEN-LJISPDSOSA-N 1 3 346.435 -1.007 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584765 672100806 /nfs/dbraw/zinc/10/08/06/672100806.db2.gz DPTXDORYVLHZOO-CXTNEJHOSA-N 1 3 349.435 -1.074 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584765 672100805 /nfs/dbraw/zinc/10/08/05/672100805.db2.gz DPTXDORYVLHZOO-CXTNEJHOSA-N 1 3 349.435 -1.074 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584775 672100911 /nfs/dbraw/zinc/10/09/11/672100911.db2.gz DPTXDORYVLHZOO-RMRHIDDWSA-N 1 3 349.435 -1.074 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584775 672100908 /nfs/dbraw/zinc/10/09/08/672100908.db2.gz DPTXDORYVLHZOO-RMRHIDDWSA-N 1 3 349.435 -1.074 20 0 EAADHO O=C(Cc1c[nH]cn1)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC000963896114 672159363 /nfs/dbraw/zinc/15/93/63/672159363.db2.gz NFHZIYFOJSLJLQ-KFWWJZLASA-N 1 3 347.419 -1.018 20 0 EAADHO O=C(Cc1c[nH]cn1)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC000963896116 672159373 /nfs/dbraw/zinc/15/93/73/672159373.db2.gz NFHZIYFOJSLJLQ-ZNMIVQPWSA-N 1 3 347.419 -1.018 20 0 EAADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2O)CC[N@H+]1C ZINC000964633659 672238039 /nfs/dbraw/zinc/23/80/39/672238039.db2.gz HSPRZFKMFLJBIM-ZRJCITRHSA-N 1 3 335.408 -1.020 20 0 EAADHO 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O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452974 668365432 /nfs/dbraw/zinc/36/54/32/668365432.db2.gz VBVCHXITJBYKAA-WAVPBHNRSA-N 1 3 334.420 -1.025 20 0 EAADHO O=C(CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCNC(=O)C1 ZINC001022981646 668424311 /nfs/dbraw/zinc/42/43/11/668424311.db2.gz YGNATVFPFNROBK-BETUJISGSA-N 1 3 349.435 -1.723 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCNC(=O)C3)C2)C1 ZINC001023083904 668442316 /nfs/dbraw/zinc/44/23/16/668442316.db2.gz CYXJMEODNWTUTL-RWMBFGLXSA-N 1 3 337.424 -1.867 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCNC(=O)C3)C2)C1 ZINC001023083904 668442315 /nfs/dbraw/zinc/44/23/15/668442315.db2.gz CYXJMEODNWTUTL-RWMBFGLXSA-N 1 3 337.424 -1.867 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCNC(=O)C3)C2)C1 ZINC001023083905 668442325 /nfs/dbraw/zinc/44/23/25/668442325.db2.gz CYXJMEODNWTUTL-UPJWGTAASA-N 1 3 337.424 -1.867 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)N3CCNC(=O)C3)C2)C1 ZINC001023083905 668442324 /nfs/dbraw/zinc/44/23/24/668442324.db2.gz CYXJMEODNWTUTL-UPJWGTAASA-N 1 3 337.424 -1.867 20 0 EAADHO O=C(Cc1c[nH]cn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023862172 668585788 /nfs/dbraw/zinc/58/57/88/668585788.db2.gz NFHZIYFOJSLJLQ-RBSFLKMASA-N 1 3 347.419 -1.018 20 0 EAADHO O=C(Cc1c[nH]cn1)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023862175 668585753 /nfs/dbraw/zinc/58/57/53/668585753.db2.gz NFHZIYFOJSLJLQ-RRFJBIMHSA-N 1 3 347.419 -1.018 20 0 EAADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC[N@H+]1C ZINC001023970245 668599836 /nfs/dbraw/zinc/59/98/36/668599836.db2.gz HSPRZFKMFLJBIM-FMKGYKFTSA-N 1 3 335.408 -1.020 20 0 EAADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC[N@@H+]1C ZINC001023970245 668599833 /nfs/dbraw/zinc/59/98/33/668599833.db2.gz HSPRZFKMFLJBIM-FMKGYKFTSA-N 1 3 335.408 -1.020 20 0 EAADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)CC1 ZINC001024416850 668644816 /nfs/dbraw/zinc/64/48/16/668644816.db2.gz IBXOFHZJFBLJRN-ZIAGYGMSSA-N 1 3 335.408 -1.018 20 0 EAADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1 ZINC001024778776 668696270 /nfs/dbraw/zinc/69/62/70/668696270.db2.gz FFGFNBFDBCRVFU-IACUBPJLSA-N 1 3 335.408 -1.018 20 0 EAADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1 ZINC001024778776 668696269 /nfs/dbraw/zinc/69/62/69/668696269.db2.gz FFGFNBFDBCRVFU-IACUBPJLSA-N 1 3 335.408 -1.018 20 0 EAADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1 ZINC001024778777 668696589 /nfs/dbraw/zinc/69/65/89/668696589.db2.gz FFGFNBFDBCRVFU-MRVWCRGKSA-N 1 3 335.408 -1.018 20 0 EAADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2O)C1 ZINC001024778777 668696584 /nfs/dbraw/zinc/69/65/84/668696584.db2.gz FFGFNBFDBCRVFU-MRVWCRGKSA-N 1 3 335.408 -1.018 20 0 EAADHO O=C(Cc1c[nH]cn1)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024790890 668699678 /nfs/dbraw/zinc/69/96/78/668699678.db2.gz FYDLMIVKOMEQBU-CHWSQXEVSA-N 1 3 333.392 -1.264 20 0 EAADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024957336 668718236 /nfs/dbraw/zinc/71/82/36/668718236.db2.gz FXIADGOHEOBDTD-IACUBPJLSA-N 1 3 335.408 -1.100 20 0 EAADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024957336 668718234 /nfs/dbraw/zinc/71/82/34/668718234.db2.gz FXIADGOHEOBDTD-IACUBPJLSA-N 1 3 335.408 -1.100 20 0 EAADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024957339 668718671 /nfs/dbraw/zinc/71/86/71/668718671.db2.gz FXIADGOHEOBDTD-MRVWCRGKSA-N 1 3 335.408 -1.100 20 0 EAADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024957339 668718666 /nfs/dbraw/zinc/71/86/66/668718666.db2.gz FXIADGOHEOBDTD-MRVWCRGKSA-N 1 3 335.408 -1.100 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908408 668862552 /nfs/dbraw/zinc/86/25/52/668862552.db2.gz IGVPCRRDWIGDOB-HZSDHTGHSA-N 1 3 346.431 -1.216 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908408 668862550 /nfs/dbraw/zinc/86/25/50/668862550.db2.gz IGVPCRRDWIGDOB-HZSDHTGHSA-N 1 3 346.431 -1.216 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908409 668862578 /nfs/dbraw/zinc/86/25/78/668862578.db2.gz IGVPCRRDWIGDOB-NAAYTTGZSA-N 1 3 346.431 -1.216 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908409 668862576 /nfs/dbraw/zinc/86/25/76/668862576.db2.gz IGVPCRRDWIGDOB-NAAYTTGZSA-N 1 3 346.431 -1.216 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908410 668862565 /nfs/dbraw/zinc/86/25/65/668862565.db2.gz IGVPCRRDWIGDOB-NCASIDJTSA-N 1 3 346.431 -1.216 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025908410 668862563 /nfs/dbraw/zinc/86/25/63/668862563.db2.gz IGVPCRRDWIGDOB-NCASIDJTSA-N 1 3 346.431 -1.216 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908411 668862521 /nfs/dbraw/zinc/86/25/21/668862521.db2.gz IGVPCRRDWIGDOB-QDFAOZQBSA-N 1 3 346.431 -1.216 20 0 EAADHO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025908411 668862519 /nfs/dbraw/zinc/86/25/19/668862519.db2.gz IGVPCRRDWIGDOB-QDFAOZQBSA-N 1 3 346.431 -1.216 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985446 668829679 /nfs/dbraw/zinc/82/96/79/668829679.db2.gz LRMXDOGNBBYHBJ-CHWSQXEVSA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985446 668829678 /nfs/dbraw/zinc/82/96/78/668829678.db2.gz LRMXDOGNBBYHBJ-CHWSQXEVSA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985451 668829530 /nfs/dbraw/zinc/82/95/30/668829530.db2.gz LRMXDOGNBBYHBJ-OLZOCXBDSA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985451 668829526 /nfs/dbraw/zinc/82/95/26/668829526.db2.gz LRMXDOGNBBYHBJ-OLZOCXBDSA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985453 668829688 /nfs/dbraw/zinc/82/96/88/668829688.db2.gz LRMXDOGNBBYHBJ-QWHCGFSZSA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985453 668829687 /nfs/dbraw/zinc/82/96/87/668829687.db2.gz LRMXDOGNBBYHBJ-QWHCGFSZSA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985455 668829760 /nfs/dbraw/zinc/82/97/60/668829760.db2.gz LRMXDOGNBBYHBJ-STQMWFEESA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001028985455 668829758 /nfs/dbraw/zinc/82/97/58/668829758.db2.gz LRMXDOGNBBYHBJ-STQMWFEESA-N 1 3 337.424 -1.072 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760215 673128174 /nfs/dbraw/zinc/12/81/74/673128174.db2.gz JPDQTMQVYYATQD-BLLLJJGKSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760215 673128172 /nfs/dbraw/zinc/12/81/72/673128172.db2.gz JPDQTMQVYYATQD-BLLLJJGKSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760216 673128355 /nfs/dbraw/zinc/12/83/55/673128355.db2.gz JPDQTMQVYYATQD-LRDDRELGSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760216 673128352 /nfs/dbraw/zinc/12/83/52/673128352.db2.gz JPDQTMQVYYATQD-LRDDRELGSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760217 673128311 /nfs/dbraw/zinc/12/83/11/673128311.db2.gz JPDQTMQVYYATQD-MLGOLLRUSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760217 673128306 /nfs/dbraw/zinc/12/83/06/673128306.db2.gz JPDQTMQVYYATQD-MLGOLLRUSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760218 673128192 /nfs/dbraw/zinc/12/81/92/673128192.db2.gz JPDQTMQVYYATQD-WBMJQRKESA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001039760218 673128188 /nfs/dbraw/zinc/12/81/88/673128188.db2.gz JPDQTMQVYYATQD-WBMJQRKESA-N 1 3 335.408 -1.017 20 0 EAADHO CN(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115019 673550238 /nfs/dbraw/zinc/55/02/38/673550238.db2.gz DDGCSLAPCVTBAY-KBPBESRZSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115019 673550232 /nfs/dbraw/zinc/55/02/32/673550232.db2.gz DDGCSLAPCVTBAY-KBPBESRZSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115020 673550169 /nfs/dbraw/zinc/55/01/69/673550169.db2.gz DDGCSLAPCVTBAY-KGLIPLIRSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115020 673550166 /nfs/dbraw/zinc/55/01/66/673550166.db2.gz DDGCSLAPCVTBAY-KGLIPLIRSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115021 673550209 /nfs/dbraw/zinc/55/02/09/673550209.db2.gz DDGCSLAPCVTBAY-UONOGXRCSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115021 673550207 /nfs/dbraw/zinc/55/02/07/673550207.db2.gz DDGCSLAPCVTBAY-UONOGXRCSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115022 673550296 /nfs/dbraw/zinc/55/02/96/673550296.db2.gz DDGCSLAPCVTBAY-ZIAGYGMSSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043115022 673550293 /nfs/dbraw/zinc/55/02/93/673550293.db2.gz DDGCSLAPCVTBAY-ZIAGYGMSSA-N 1 3 338.452 -1.032 20 0 EAADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043115521 673550596 /nfs/dbraw/zinc/55/05/96/673550596.db2.gz HYGHEQREISWETQ-CHWSQXEVSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043115521 673550594 /nfs/dbraw/zinc/55/05/94/673550594.db2.gz HYGHEQREISWETQ-CHWSQXEVSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043115524 673550903 /nfs/dbraw/zinc/55/09/03/673550903.db2.gz HYGHEQREISWETQ-OLZOCXBDSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043115524 673550899 /nfs/dbraw/zinc/55/08/99/673550899.db2.gz HYGHEQREISWETQ-OLZOCXBDSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043115526 673550768 /nfs/dbraw/zinc/55/07/68/673550768.db2.gz HYGHEQREISWETQ-QWHCGFSZSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043115526 673550764 /nfs/dbraw/zinc/55/07/64/673550764.db2.gz HYGHEQREISWETQ-QWHCGFSZSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043115528 673550617 /nfs/dbraw/zinc/55/06/17/673550617.db2.gz HYGHEQREISWETQ-STQMWFEESA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043115528 673550615 /nfs/dbraw/zinc/55/06/15/673550615.db2.gz HYGHEQREISWETQ-STQMWFEESA-N 1 3 326.441 -1.032 20 0 EAADHO C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115808 673551286 /nfs/dbraw/zinc/55/12/86/673551286.db2.gz JRBRRBCXXRXGAE-KBPBESRZSA-N 1 3 338.452 -1.031 20 0 EAADHO C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115808 673551285 /nfs/dbraw/zinc/55/12/85/673551285.db2.gz JRBRRBCXXRXGAE-KBPBESRZSA-N 1 3 338.452 -1.031 20 0 EAADHO C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115809 673551241 /nfs/dbraw/zinc/55/12/41/673551241.db2.gz JRBRRBCXXRXGAE-KGLIPLIRSA-N 1 3 338.452 -1.031 20 0 EAADHO C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115809 673551238 /nfs/dbraw/zinc/55/12/38/673551238.db2.gz JRBRRBCXXRXGAE-KGLIPLIRSA-N 1 3 338.452 -1.031 20 0 EAADHO C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115810 673551323 /nfs/dbraw/zinc/55/13/23/673551323.db2.gz JRBRRBCXXRXGAE-UONOGXRCSA-N 1 3 338.452 -1.031 20 0 EAADHO C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115810 673551320 /nfs/dbraw/zinc/55/13/20/673551320.db2.gz JRBRRBCXXRXGAE-UONOGXRCSA-N 1 3 338.452 -1.031 20 0 EAADHO C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115812 673551049 /nfs/dbraw/zinc/55/10/49/673551049.db2.gz JRBRRBCXXRXGAE-ZIAGYGMSSA-N 1 3 338.452 -1.031 20 0 EAADHO C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115812 673551043 /nfs/dbraw/zinc/55/10/43/673551043.db2.gz JRBRRBCXXRXGAE-ZIAGYGMSSA-N 1 3 338.452 -1.031 20 0 EAADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043115864 673551335 /nfs/dbraw/zinc/55/13/35/673551335.db2.gz KDKCPDYQMOYYDC-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043115864 673551332 /nfs/dbraw/zinc/55/13/32/673551332.db2.gz KDKCPDYQMOYYDC-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043115865 673551215 /nfs/dbraw/zinc/55/12/15/673551215.db2.gz KDKCPDYQMOYYDC-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043115865 673551212 /nfs/dbraw/zinc/55/12/12/673551212.db2.gz KDKCPDYQMOYYDC-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118525 673552609 /nfs/dbraw/zinc/55/26/09/673552609.db2.gz ZKVLGKUILRWEAO-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118525 673552607 /nfs/dbraw/zinc/55/26/07/673552607.db2.gz ZKVLGKUILRWEAO-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118527 673552700 /nfs/dbraw/zinc/55/27/00/673552700.db2.gz ZKVLGKUILRWEAO-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118527 673552698 /nfs/dbraw/zinc/55/26/98/673552698.db2.gz ZKVLGKUILRWEAO-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118892 673552736 /nfs/dbraw/zinc/55/27/36/673552736.db2.gz NXCUKCWUCQBFJU-CYBMUJFWSA-N 1 3 326.441 -1.032 20 0 EAADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118892 673552735 /nfs/dbraw/zinc/55/27/35/673552735.db2.gz NXCUKCWUCQBFJU-CYBMUJFWSA-N 1 3 326.441 -1.032 20 0 EAADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118893 673552650 /nfs/dbraw/zinc/55/26/50/673552650.db2.gz NXCUKCWUCQBFJU-ZDUSSCGKSA-N 1 3 326.441 -1.032 20 0 EAADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118893 673552647 /nfs/dbraw/zinc/55/26/47/673552647.db2.gz NXCUKCWUCQBFJU-ZDUSSCGKSA-N 1 3 326.441 -1.032 20 0 EAADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043157811 673562333 /nfs/dbraw/zinc/56/23/33/673562333.db2.gz LLCHBQHUWKBYDU-UHFFFAOYSA-N 1 3 344.456 -1.404 20 0 EAADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043159851 668946000 /nfs/dbraw/zinc/94/60/00/668946000.db2.gz JZQMSJBMVHAUDG-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043159851 668945994 /nfs/dbraw/zinc/94/59/94/668945994.db2.gz JZQMSJBMVHAUDG-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043159852 668946136 /nfs/dbraw/zinc/94/61/36/668946136.db2.gz JZQMSJBMVHAUDG-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO CCN(CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043159852 668946133 /nfs/dbraw/zinc/94/61/33/668946133.db2.gz JZQMSJBMVHAUDG-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO O=C(Cc1c[nH]cn1)N1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001043182444 673569417 /nfs/dbraw/zinc/56/94/17/673569417.db2.gz LVIPQBKHZRMDNT-AWEZNQCLSA-N 1 3 347.419 -1.017 20 0 EAADHO O=C(Cc1c[nH]cn1)N1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001043182445 673569523 /nfs/dbraw/zinc/56/95/23/673569523.db2.gz LVIPQBKHZRMDNT-CQSZACIVSA-N 1 3 347.419 -1.017 20 0 EAADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001043264305 673577930 /nfs/dbraw/zinc/57/79/30/673577930.db2.gz PRHBVASXGBRUNW-DGCLKSJQSA-N 1 3 335.408 -1.018 20 0 EAADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001043264305 673577929 /nfs/dbraw/zinc/57/79/29/673577929.db2.gz PRHBVASXGBRUNW-DGCLKSJQSA-N 1 3 335.408 -1.018 20 0 EAADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043432241 673606236 /nfs/dbraw/zinc/60/62/36/673606236.db2.gz XMKUAADZQLGXDV-UHFFFAOYSA-N 1 3 344.456 -1.406 20 0 EAADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043432790 673606598 /nfs/dbraw/zinc/60/65/98/673606598.db2.gz LFKQBODPOSAOGW-CYBMUJFWSA-N 1 3 326.441 -1.032 20 0 EAADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043432790 673606596 /nfs/dbraw/zinc/60/65/96/673606596.db2.gz LFKQBODPOSAOGW-CYBMUJFWSA-N 1 3 326.441 -1.032 20 0 EAADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043432791 673606606 /nfs/dbraw/zinc/60/66/06/673606606.db2.gz LFKQBODPOSAOGW-ZDUSSCGKSA-N 1 3 326.441 -1.032 20 0 EAADHO CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043432791 673606605 /nfs/dbraw/zinc/60/66/05/673606605.db2.gz LFKQBODPOSAOGW-ZDUSSCGKSA-N 1 3 326.441 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001043461572 673609802 /nfs/dbraw/zinc/60/98/02/673609802.db2.gz DLCQTWDBQLJHKH-AWEZNQCLSA-N 1 3 326.441 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001043461573 673609841 /nfs/dbraw/zinc/60/98/41/673609841.db2.gz DLCQTWDBQLJHKH-CQSZACIVSA-N 1 3 326.441 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463725 673610190 /nfs/dbraw/zinc/61/01/90/673610190.db2.gz QCKUJSPFVMEKDG-KBPBESRZSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463725 673610188 /nfs/dbraw/zinc/61/01/88/673610188.db2.gz QCKUJSPFVMEKDG-KBPBESRZSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463727 673610341 /nfs/dbraw/zinc/61/03/41/673610341.db2.gz QCKUJSPFVMEKDG-KGLIPLIRSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463727 673610338 /nfs/dbraw/zinc/61/03/38/673610338.db2.gz QCKUJSPFVMEKDG-KGLIPLIRSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463729 673610278 /nfs/dbraw/zinc/61/02/78/673610278.db2.gz QCKUJSPFVMEKDG-UONOGXRCSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463729 673610275 /nfs/dbraw/zinc/61/02/75/673610275.db2.gz QCKUJSPFVMEKDG-UONOGXRCSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463731 673610252 /nfs/dbraw/zinc/61/02/52/673610252.db2.gz QCKUJSPFVMEKDG-ZIAGYGMSSA-N 1 3 338.452 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001043463731 673610249 /nfs/dbraw/zinc/61/02/49/673610249.db2.gz QCKUJSPFVMEKDG-ZIAGYGMSSA-N 1 3 338.452 -1.032 20 0 EAADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001043677294 673639047 /nfs/dbraw/zinc/63/90/47/673639047.db2.gz GBLZMNXLOMJUNA-CYBMUJFWSA-N 1 3 344.456 -1.406 20 0 EAADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043677813 673639440 /nfs/dbraw/zinc/63/94/40/673639440.db2.gz MRMAJULCAKNOSN-CHWSQXEVSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043677813 673639438 /nfs/dbraw/zinc/63/94/38/673639438.db2.gz MRMAJULCAKNOSN-CHWSQXEVSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001043677816 673639485 /nfs/dbraw/zinc/63/94/85/673639485.db2.gz MRMAJULCAKNOSN-QWHCGFSZSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001043677816 673639484 /nfs/dbraw/zinc/63/94/84/673639484.db2.gz MRMAJULCAKNOSN-QWHCGFSZSA-N 1 3 326.441 -1.032 20 0 EAADHO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001043709286 673643414 /nfs/dbraw/zinc/64/34/14/673643414.db2.gz UVCQFPXRZBTGPW-UHFFFAOYSA-N 1 3 335.408 -1.017 20 0 EAADHO CCN(CC)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000346 673697797 /nfs/dbraw/zinc/69/77/97/673697797.db2.gz GMAOECNZTBNXBS-UHFFFAOYSA-N 1 3 344.456 -1.404 20 0 EAADHO CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000894 673698094 /nfs/dbraw/zinc/69/80/94/673698094.db2.gz KPBKRGKJROLBCX-UHFFFAOYSA-N 1 3 344.456 -1.406 20 0 EAADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000903 673698189 /nfs/dbraw/zinc/69/81/89/673698189.db2.gz KSYICBLZCHYKGG-UHFFFAOYSA-N 1 3 344.456 -1.404 20 0 EAADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1)N(C)C ZINC001044001019 673698032 /nfs/dbraw/zinc/69/80/32/673698032.db2.gz MDHSQGLYQQQNSR-CYBMUJFWSA-N 1 3 344.456 -1.406 20 0 EAADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1)N(C)C ZINC001044001020 673697941 /nfs/dbraw/zinc/69/79/41/673697941.db2.gz MDHSQGLYQQQNSR-ZDUSSCGKSA-N 1 3 344.456 -1.406 20 0 EAADHO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001044010910 673699999 /nfs/dbraw/zinc/69/99/99/673699999.db2.gz GEAPWODJTSMPJX-GFCCVEGCSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001044010910 673699998 /nfs/dbraw/zinc/69/99/98/673699998.db2.gz GEAPWODJTSMPJX-GFCCVEGCSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001044010911 673699873 /nfs/dbraw/zinc/69/98/73/673699873.db2.gz GEAPWODJTSMPJX-LBPRGKRZSA-N 1 3 335.408 -1.017 20 0 EAADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001044010911 673699872 /nfs/dbraw/zinc/69/98/72/673699872.db2.gz GEAPWODJTSMPJX-LBPRGKRZSA-N 1 3 335.408 -1.017 20 0 EAADHO O=C(Cc1c[nH]cn1)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044027995 673702369 /nfs/dbraw/zinc/70/23/69/673702369.db2.gz XWDDQRVEXCPZRT-UHFFFAOYSA-N 1 3 333.392 -1.263 20 0 EAADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001044041269 673703530 /nfs/dbraw/zinc/70/35/30/673703530.db2.gz GBLZMNXLOMJUNA-ZDUSSCGKSA-N 1 3 344.456 -1.406 20 0 EAADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044044244 673704410 /nfs/dbraw/zinc/70/44/10/673704410.db2.gz MRMAJULCAKNOSN-OLZOCXBDSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044044244 673704408 /nfs/dbraw/zinc/70/44/08/673704408.db2.gz MRMAJULCAKNOSN-OLZOCXBDSA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001044044245 673704478 /nfs/dbraw/zinc/70/44/78/673704478.db2.gz MRMAJULCAKNOSN-STQMWFEESA-N 1 3 326.441 -1.032 20 0 EAADHO CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001044044245 673704475 /nfs/dbraw/zinc/70/44/75/673704475.db2.gz MRMAJULCAKNOSN-STQMWFEESA-N 1 3 326.441 -1.032 20 0 EAADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001044298980 673727425 /nfs/dbraw/zinc/72/74/25/673727425.db2.gz UITINROJGCFXGR-UHFFFAOYSA-N 1 3 344.456 -1.404 20 0 EAADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044302520 673727809 /nfs/dbraw/zinc/72/78/09/673727809.db2.gz LDBCLPFGPAJYBZ-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044302520 673727808 /nfs/dbraw/zinc/72/78/08/673727808.db2.gz LDBCLPFGPAJYBZ-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044302521 673727797 /nfs/dbraw/zinc/72/77/97/673727797.db2.gz LDBCLPFGPAJYBZ-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO CCCN(C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044302521 673727796 /nfs/dbraw/zinc/72/77/96/673727796.db2.gz LDBCLPFGPAJYBZ-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044327237 673731212 /nfs/dbraw/zinc/73/12/12/673731212.db2.gz XNLGSNSCTRCYEI-GFCCVEGCSA-N 1 3 335.408 -1.098 20 0 EAADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044327237 673731210 /nfs/dbraw/zinc/73/12/10/673731210.db2.gz XNLGSNSCTRCYEI-GFCCVEGCSA-N 1 3 335.408 -1.098 20 0 EAADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044327238 673731266 /nfs/dbraw/zinc/73/12/66/673731266.db2.gz XNLGSNSCTRCYEI-LBPRGKRZSA-N 1 3 335.408 -1.098 20 0 EAADHO Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044327238 673731261 /nfs/dbraw/zinc/73/12/61/673731261.db2.gz XNLGSNSCTRCYEI-LBPRGKRZSA-N 1 3 335.408 -1.098 20 0 EAADHO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001045392568 673811871 /nfs/dbraw/zinc/81/18/71/673811871.db2.gz YFDBCGREEYGXIY-UHFFFAOYSA-N 1 3 335.408 -1.017 20 0 EAADHO C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045720117 673840657 /nfs/dbraw/zinc/84/06/57/673840657.db2.gz MVEGQLVKAZPBPC-CYBMUJFWSA-N 1 3 326.441 -1.031 20 0 EAADHO C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045720119 673840936 /nfs/dbraw/zinc/84/09/36/673840936.db2.gz MVEGQLVKAZPBPC-ZDUSSCGKSA-N 1 3 326.441 -1.031 20 0 EAADHO CN(C)[C@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001045720300 673841033 /nfs/dbraw/zinc/84/10/33/673841033.db2.gz QQDDRPKJFUBELG-AWEZNQCLSA-N 1 3 326.441 -1.032 20 0 EAADHO CN(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001045720301 673841023 /nfs/dbraw/zinc/84/10/23/673841023.db2.gz QQDDRPKJFUBELG-CQSZACIVSA-N 1 3 326.441 -1.032 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690707 673892401 /nfs/dbraw/zinc/89/24/01/673892401.db2.gz DBDNFSXGMIEEJB-AAEUAGOBSA-N 1 3 335.408 -1.161 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690707 673892396 /nfs/dbraw/zinc/89/23/96/673892396.db2.gz DBDNFSXGMIEEJB-AAEUAGOBSA-N 1 3 335.408 -1.161 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690709 673892443 /nfs/dbraw/zinc/89/24/43/673892443.db2.gz DBDNFSXGMIEEJB-DGCLKSJQSA-N 1 3 335.408 -1.161 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690709 673892440 /nfs/dbraw/zinc/89/24/40/673892440.db2.gz DBDNFSXGMIEEJB-DGCLKSJQSA-N 1 3 335.408 -1.161 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690711 673892180 /nfs/dbraw/zinc/89/21/80/673892180.db2.gz DBDNFSXGMIEEJB-WCQYABFASA-N 1 3 335.408 -1.161 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690711 673892177 /nfs/dbraw/zinc/89/21/77/673892177.db2.gz DBDNFSXGMIEEJB-WCQYABFASA-N 1 3 335.408 -1.161 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690714 673892083 /nfs/dbraw/zinc/89/20/83/673892083.db2.gz DBDNFSXGMIEEJB-YPMHNXCESA-N 1 3 335.408 -1.161 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2c[nH]cn2)C1 ZINC001046690714 673892080 /nfs/dbraw/zinc/89/20/80/673892080.db2.gz DBDNFSXGMIEEJB-YPMHNXCESA-N 1 3 335.408 -1.161 20 0 EAADHO CCN1CCO[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118954 672880323 /nfs/dbraw/zinc/88/03/23/672880323.db2.gz DRWFSYARODTWKQ-CVEARBPZSA-N 1 3 340.468 -1.082 20 0 EAADHO CCN1CCO[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118955 672880276 /nfs/dbraw/zinc/88/02/76/672880276.db2.gz DRWFSYARODTWKQ-HOTGVXAUSA-N 1 3 340.468 -1.082 20 0 EAADHO CCN1CCO[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118956 672880375 /nfs/dbraw/zinc/88/03/75/672880375.db2.gz DRWFSYARODTWKQ-HZPDHXFCSA-N 1 3 340.468 -1.082 20 0 EAADHO CCN1CCO[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052118957 672880609 /nfs/dbraw/zinc/88/06/09/672880609.db2.gz DRWFSYARODTWKQ-JKSUJKDBSA-N 1 3 340.468 -1.082 20 0 EAADHO CCN(CC)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057659530 672756710 /nfs/dbraw/zinc/75/67/10/672756710.db2.gz SGTGKAZYIURSNM-UHFFFAOYSA-N 1 3 346.472 -1.157 20 0 EAADHO CC(C)N(C)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057863121 672922047 /nfs/dbraw/zinc/92/20/47/672922047.db2.gz GOURGIVUYQFVIT-UHFFFAOYSA-N 1 3 346.472 -1.158 20 0 EAADHO CC[C@H](C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)N(C)C ZINC001057974963 672948077 /nfs/dbraw/zinc/94/80/77/672948077.db2.gz AYGWPAJLOXJXGR-CQSZACIVSA-N 1 3 346.472 -1.158 20 0 EAADHO CCN(CC)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156694 672987231 /nfs/dbraw/zinc/98/72/31/672987231.db2.gz RGCCNDAARCFWPM-UHFFFAOYSA-N 1 3 346.472 -1.157 20 0 EAADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)N(C)C ZINC001058156710 672987236 /nfs/dbraw/zinc/98/72/36/672987236.db2.gz RTFQNTIVOZMDNH-AWEZNQCLSA-N 1 3 346.472 -1.158 20 0 EAADHO CC[C@H](C(=O)NCCN(CCO)C(=O)COCC[NH+](C)C)N(C)C ZINC001058156711 672987223 /nfs/dbraw/zinc/98/72/23/672987223.db2.gz RTFQNTIVOZMDNH-CQSZACIVSA-N 1 3 346.472 -1.158 20 0 EAADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156754 672987334 /nfs/dbraw/zinc/98/73/34/672987334.db2.gz SVADUWXGHQRBJY-UHFFFAOYSA-N 1 3 346.472 -1.157 20 0 EAADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058158206 672988144 /nfs/dbraw/zinc/98/81/44/672988144.db2.gz SIYGHOKMWDBQJZ-UHFFFAOYSA-N 1 3 346.472 -1.158 20 0 EAADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)COCC[NH+](C)C)N(C)C ZINC001058168357 672990037 /nfs/dbraw/zinc/99/00/37/672990037.db2.gz AYGWPAJLOXJXGR-AWEZNQCLSA-N 1 3 346.472 -1.158 20 0 EAADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058254039 673001923 /nfs/dbraw/zinc/00/19/23/673001923.db2.gz RUHYNBTVBPRKQQ-UHFFFAOYSA-N 1 3 346.472 -1.157 20 0 EAADHO O=C(Cc1c[nH]cn1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058948225 668713325 /nfs/dbraw/zinc/71/33/25/668713325.db2.gz PDWSASAWVUUQKD-UHFFFAOYSA-N 1 3 335.408 -1.015 20 0 EAADHO O=C(C[C@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083292421 685101846 /nfs/dbraw/zinc/10/18/46/685101846.db2.gz FPZIIYHYIIAFON-GRYCIOLGSA-N 1 3 325.365 -1.667 20 0 EAADHO O=C(C[C@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083292421 685101845 /nfs/dbraw/zinc/10/18/45/685101845.db2.gz FPZIIYHYIIAFON-GRYCIOLGSA-N 1 3 325.365 -1.667 20 0 EAADHO O=C(C[C@@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083292422 685101894 /nfs/dbraw/zinc/10/18/94/685101894.db2.gz FPZIIYHYIIAFON-SDDRHHMPSA-N 1 3 325.365 -1.667 20 0 EAADHO O=C(C[C@@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083292422 685101890 /nfs/dbraw/zinc/10/18/90/685101890.db2.gz FPZIIYHYIIAFON-SDDRHHMPSA-N 1 3 325.365 -1.667 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090272697 786275667 /nfs/dbraw/zinc/27/56/67/786275667.db2.gz QZJXYHPFRKJUBW-DZGCQCFKSA-N 1 3 339.440 -1.008 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090272698 786276138 /nfs/dbraw/zinc/27/61/38/786276138.db2.gz QZJXYHPFRKJUBW-HIFRSBDPSA-N 1 3 339.440 -1.008 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090272699 786276072 /nfs/dbraw/zinc/27/60/72/786276072.db2.gz QZJXYHPFRKJUBW-UKRRQHHQSA-N 1 3 339.440 -1.008 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090272700 786275991 /nfs/dbraw/zinc/27/59/91/786275991.db2.gz QZJXYHPFRKJUBW-ZFWWWQNUSA-N 1 3 339.440 -1.008 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)cn1 ZINC001090639763 787374335 /nfs/dbraw/zinc/37/43/35/787374335.db2.gz ZOTYFCUHCILINQ-CABCVRRESA-N 1 3 339.440 -1.008 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)cn1 ZINC001090639764 787374869 /nfs/dbraw/zinc/37/48/69/787374869.db2.gz ZOTYFCUHCILINQ-GJZGRUSLSA-N 1 3 339.440 -1.008 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)cn1 ZINC001090639765 787375264 /nfs/dbraw/zinc/37/52/64/787375264.db2.gz ZOTYFCUHCILINQ-HUUCEWRRSA-N 1 3 339.440 -1.008 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)cn1 ZINC001090639767 787375475 /nfs/dbraw/zinc/37/54/75/787375475.db2.gz ZOTYFCUHCILINQ-LSDHHAIUSA-N 1 3 339.440 -1.008 20 0 EAADHO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815228 787431469 /nfs/dbraw/zinc/43/14/69/787431469.db2.gz NMVGHQLQIXKGIP-KBPBESRZSA-N 1 3 339.440 -1.341 20 0 EAADHO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815228 787431462 /nfs/dbraw/zinc/43/14/62/787431462.db2.gz NMVGHQLQIXKGIP-KBPBESRZSA-N 1 3 339.440 -1.341 20 0 EAADHO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815229 787430940 /nfs/dbraw/zinc/43/09/40/787430940.db2.gz NMVGHQLQIXKGIP-KGLIPLIRSA-N 1 3 339.440 -1.341 20 0 EAADHO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815229 787430931 /nfs/dbraw/zinc/43/09/31/787430931.db2.gz NMVGHQLQIXKGIP-KGLIPLIRSA-N 1 3 339.440 -1.341 20 0 EAADHO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815230 787431639 /nfs/dbraw/zinc/43/16/39/787431639.db2.gz NMVGHQLQIXKGIP-UONOGXRCSA-N 1 3 339.440 -1.341 20 0 EAADHO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815230 787431636 /nfs/dbraw/zinc/43/16/36/787431636.db2.gz NMVGHQLQIXKGIP-UONOGXRCSA-N 1 3 339.440 -1.341 20 0 EAADHO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815231 787431744 /nfs/dbraw/zinc/43/17/44/787431744.db2.gz NMVGHQLQIXKGIP-ZIAGYGMSSA-N 1 3 339.440 -1.341 20 0 EAADHO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815231 787431743 /nfs/dbraw/zinc/43/17/43/787431743.db2.gz NMVGHQLQIXKGIP-ZIAGYGMSSA-N 1 3 339.440 -1.341 20 0 EAADHO C[NH+](C)CCC(=O)NCC1CC(NCC(=O)N2CCNC(=O)C2)C1 ZINC001100637198 792449825 /nfs/dbraw/zinc/44/98/25/792449825.db2.gz GSCSXBNICKIRJL-UHFFFAOYSA-N 1 3 339.440 -1.619 20 0 EAADHO C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21)C1CC1 ZINC001114410655 791434412 /nfs/dbraw/zinc/43/44/12/791434412.db2.gz XURGSUYMCTZTCF-MXYBEHONSA-N 1 3 349.435 -1.075 20 0 EAADHO C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21)C1CC1 ZINC001114410656 791433954 /nfs/dbraw/zinc/43/39/54/791433954.db2.gz XURGSUYMCTZTCF-PAPYEOQZSA-N 1 3 349.435 -1.075 20 0 EAADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001114778060 791690663 /nfs/dbraw/zinc/69/06/63/791690663.db2.gz DTQCPZNEEPLVOX-SZOQZIPDSA-N 1 3 338.452 -1.032 20 0 EAADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001114778792 791691338 /nfs/dbraw/zinc/69/13/38/791691338.db2.gz RMWUYEDCCMSJOC-JYAVWHMHSA-N 1 3 337.424 -1.074 20 0 EAADHO C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115125912 792617609 /nfs/dbraw/zinc/61/76/09/792617609.db2.gz DPFAZIUNBRTUSY-NHAGDIPZSA-N 1 3 339.440 -1.364 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N(C)C ZINC001117053505 792679648 /nfs/dbraw/zinc/67/96/48/792679648.db2.gz ATHIQVGGVDSTKV-UHFFFAOYSA-N 1 3 329.445 -1.467 20 0 EAADHO Cc1nnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1C ZINC001117172443 792686978 /nfs/dbraw/zinc/68/69/78/792686978.db2.gz QMNLBOGVZKTGFO-UHFFFAOYSA-N 1 3 339.444 -1.308 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cncn1 ZINC001117268188 792688570 /nfs/dbraw/zinc/68/85/70/792688570.db2.gz URYRUGOJGDXVPI-UHFFFAOYSA-N 1 3 325.417 -1.654 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncn(C)n1 ZINC001117432840 792704807 /nfs/dbraw/zinc/70/48/07/792704807.db2.gz UPRPDCGDLAJEPQ-UHFFFAOYSA-N 1 3 325.417 -1.617 20 0 EAADHO COC(=O)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001117858677 792719015 /nfs/dbraw/zinc/71/90/15/792719015.db2.gz PKWZDDWOGFMQCT-CYBMUJFWSA-N 1 3 342.440 -1.040 20 0 EAADHO COC(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001117858678 792718672 /nfs/dbraw/zinc/71/86/72/792718672.db2.gz PKWZDDWOGFMQCT-ZDUSSCGKSA-N 1 3 342.440 -1.040 20 0 EAADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC001118490058 792750139 /nfs/dbraw/zinc/75/01/39/792750139.db2.gz BOYIOQXQLUTWHC-KBPBESRZSA-N 1 3 340.424 -1.458 20 0 EAADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC001118490059 792749925 /nfs/dbraw/zinc/74/99/25/792749925.db2.gz BOYIOQXQLUTWHC-KGLIPLIRSA-N 1 3 340.424 -1.458 20 0 EAADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC001118490060 792749875 /nfs/dbraw/zinc/74/98/75/792749875.db2.gz BOYIOQXQLUTWHC-UONOGXRCSA-N 1 3 340.424 -1.458 20 0 EAADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC001118490061 792749456 /nfs/dbraw/zinc/74/94/56/792749456.db2.gz BOYIOQXQLUTWHC-ZIAGYGMSSA-N 1 3 340.424 -1.458 20 0 EAADHO NC(=O)[C@@H]1C[C@@H](O)CN1CCCCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001118855546 792770245 /nfs/dbraw/zinc/77/02/45/792770245.db2.gz JCZDHABHERWAJU-MQYQWHSLSA-N 1 3 342.440 -1.612 20 0 EAADHO NC(=O)[C@@H]1C[C@@H](O)CN1CCCCCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001118855546 792770240 /nfs/dbraw/zinc/77/02/40/792770240.db2.gz JCZDHABHERWAJU-MQYQWHSLSA-N 1 3 342.440 -1.612 20 0 EAADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC001118867478 792771036 /nfs/dbraw/zinc/77/10/36/792771036.db2.gz LRGDQYJVNPNEFL-AWEZNQCLSA-N 1 3 341.456 -1.767 20 0 EAADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC001118867478 792771031 /nfs/dbraw/zinc/77/10/31/792771031.db2.gz LRGDQYJVNPNEFL-AWEZNQCLSA-N 1 3 341.456 -1.767 20 0 EAADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC001118867479 792771310 /nfs/dbraw/zinc/77/13/10/792771310.db2.gz LRGDQYJVNPNEFL-CQSZACIVSA-N 1 3 341.456 -1.767 20 0 EAADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC001118867479 792771301 /nfs/dbraw/zinc/77/13/01/792771301.db2.gz LRGDQYJVNPNEFL-CQSZACIVSA-N 1 3 341.456 -1.767 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001118880938 792773646 /nfs/dbraw/zinc/77/36/46/792773646.db2.gz OLYLLUMJCRJNKU-CHWSQXEVSA-N 1 3 340.424 -1.430 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])CN1CCN(C)CC1 ZINC001118924279 792777495 /nfs/dbraw/zinc/77/74/95/792777495.db2.gz HBKOCNBBRRBYEX-AWEZNQCLSA-N 1 3 343.472 -1.580 20 0 EAADHO C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])CN1CCN(C)CC1 ZINC001118924280 792776254 /nfs/dbraw/zinc/77/62/54/792776254.db2.gz HBKOCNBBRRBYEX-CQSZACIVSA-N 1 3 343.472 -1.580 20 0 EAADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC001118924504 792776734 /nfs/dbraw/zinc/77/67/34/792776734.db2.gz KFSKXNXPTQOLKF-CHWSQXEVSA-N 1 3 340.424 -1.410 20 0 EAADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC001118924506 792776157 /nfs/dbraw/zinc/77/61/57/792776157.db2.gz KFSKXNXPTQOLKF-OLZOCXBDSA-N 1 3 340.424 -1.410 20 0 EAADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC001118924507 792777225 /nfs/dbraw/zinc/77/72/25/792777225.db2.gz KFSKXNXPTQOLKF-QWHCGFSZSA-N 1 3 340.424 -1.410 20 0 EAADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC001118924509 792776819 /nfs/dbraw/zinc/77/68/19/792776819.db2.gz KFSKXNXPTQOLKF-STQMWFEESA-N 1 3 340.424 -1.410 20 0 EAADHO CN1CCN(C2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC001119036721 792784585 /nfs/dbraw/zinc/78/45/85/792784585.db2.gz MKLKNQUMDBUMHF-GASCZTMLSA-N 1 3 349.479 -1.097 20 0 EAADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001119037681 792784928 /nfs/dbraw/zinc/78/49/28/792784928.db2.gz XEEJPUKRSPNAJO-UHFFFAOYSA-N 1 3 325.457 -1.097 20 0 EAADHO CN1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC001119037871 792784755 /nfs/dbraw/zinc/78/47/55/792784755.db2.gz ZHTMYGKGZDSZOT-ZFWWWQNUSA-N 1 3 335.452 -1.203 20 0 EAADHO COCCOC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618545 792795284 /nfs/dbraw/zinc/79/52/84/792795284.db2.gz NNEFVQXVBQQCSV-DGAVXFQQSA-N 1 3 329.397 -1.123 20 0 EAADHO COCCOC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618546 792795027 /nfs/dbraw/zinc/79/50/27/792795027.db2.gz NNEFVQXVBQQCSV-FQUUOJAGSA-N 1 3 329.397 -1.123 20 0 EAADHO COCCOC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618547 792795206 /nfs/dbraw/zinc/79/52/06/792795206.db2.gz NNEFVQXVBQQCSV-RQJABVFESA-N 1 3 329.397 -1.123 20 0 EAADHO COCCOC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618548 792794673 /nfs/dbraw/zinc/79/46/73/792794673.db2.gz NNEFVQXVBQQCSV-SYQHCUMBSA-N 1 3 329.397 -1.123 20 0 EAADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCNCCNCC2)cn1 ZINC001119711001 792796929 /nfs/dbraw/zinc/79/69/29/792796929.db2.gz FIGANAOYASJESN-UHFFFAOYSA-N 1 3 337.428 -1.595 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(CC(N)=O)C1 ZINC001119830702 792798581 /nfs/dbraw/zinc/79/85/81/792798581.db2.gz LTNPYBCEULYOSM-UHFFFAOYSA-N 1 3 341.456 -1.292 20 0 EAADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H]1[NH3+] ZINC001120421420 792812768 /nfs/dbraw/zinc/81/27/68/792812768.db2.gz WTSBFAHEUYKNCH-ZIAGYGMSSA-N 1 3 325.457 -1.064 20 0 EAADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120516658 792814797 /nfs/dbraw/zinc/81/47/97/792814797.db2.gz IALVCCXBANLCRZ-KBPBESRZSA-N 1 3 325.457 -1.003 20 0 EAADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120516659 792816270 /nfs/dbraw/zinc/81/62/70/792816270.db2.gz IALVCCXBANLCRZ-KGLIPLIRSA-N 1 3 325.457 -1.003 20 0 EAADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120516660 792816158 /nfs/dbraw/zinc/81/61/58/792816158.db2.gz IALVCCXBANLCRZ-UONOGXRCSA-N 1 3 325.457 -1.003 20 0 EAADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120516661 792816025 /nfs/dbraw/zinc/81/60/25/792816025.db2.gz IALVCCXBANLCRZ-ZIAGYGMSSA-N 1 3 325.457 -1.003 20 0 EAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001120520537 792816203 /nfs/dbraw/zinc/81/62/03/792816203.db2.gz PDGPCOJVNAOHIL-ZIAGYGMSSA-N 1 3 325.457 -1.146 20 0 EAADHO CCN1CCN(CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121929226 792879854 /nfs/dbraw/zinc/87/98/54/792879854.db2.gz ZIFZSGBHLWYGFU-AWEZNQCLSA-N 1 3 325.457 -1.063 20 0 EAADHO CCN1CCN(CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121929227 792879974 /nfs/dbraw/zinc/87/99/74/792879974.db2.gz ZIFZSGBHLWYGFU-CQSZACIVSA-N 1 3 325.457 -1.063 20 0 EAADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2CNCCN2C)CC1 ZINC001122155862 792891149 /nfs/dbraw/zinc/89/11/49/792891149.db2.gz SVCZWXZVPYDZAA-AWEZNQCLSA-N 1 3 325.457 -1.003 20 0 EAADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2CNCCN2C)CC1 ZINC001122155863 792892228 /nfs/dbraw/zinc/89/22/28/792892228.db2.gz SVCZWXZVPYDZAA-CQSZACIVSA-N 1 3 325.457 -1.003 20 0 EAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466462 786030174 /nfs/dbraw/zinc/03/01/74/786030174.db2.gz KJRMDRYPGXUEHK-CMPLNLGQSA-N 1 3 325.413 -1.122 20 0 EAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466463 786030496 /nfs/dbraw/zinc/03/04/96/786030496.db2.gz KJRMDRYPGXUEHK-JQWIXIFHSA-N 1 3 325.413 -1.122 20 0 EAADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466464 786030167 /nfs/dbraw/zinc/03/01/67/786030167.db2.gz KJRMDRYPGXUEHK-PWSUYJOCSA-N 1 3 325.413 -1.122 20 0 EAADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466465 786030368 /nfs/dbraw/zinc/03/03/68/786030368.db2.gz KJRMDRYPGXUEHK-ZYHUDNBSSA-N 1 3 325.413 -1.122 20 0 EAADHO Cn1c(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc(=O)n(C)c1=O ZINC001127466654 786030214 /nfs/dbraw/zinc/03/02/14/786030214.db2.gz YCPXNSKEQRPRMM-AWEZNQCLSA-N 1 3 349.435 -1.368 20 0 EAADHO Cn1c(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc(=O)n(C)c1=O ZINC001127466655 786030554 /nfs/dbraw/zinc/03/05/54/786030554.db2.gz YCPXNSKEQRPRMM-CQSZACIVSA-N 1 3 349.435 -1.368 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475777 786030561 /nfs/dbraw/zinc/03/05/61/786030561.db2.gz YRVIXVKYSAOPOR-GFCCVEGCSA-N 1 3 325.413 -1.120 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475778 786030306 /nfs/dbraw/zinc/03/03/06/786030306.db2.gz YRVIXVKYSAOPOR-LBPRGKRZSA-N 1 3 325.413 -1.120 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127479243 786030225 /nfs/dbraw/zinc/03/02/25/786030225.db2.gz AFVJNQOYRPJWEJ-CYBMUJFWSA-N 1 3 332.470 -1.027 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127479244 786030457 /nfs/dbraw/zinc/03/04/57/786030457.db2.gz AFVJNQOYRPJWEJ-ZDUSSCGKSA-N 1 3 332.470 -1.027 20 0 EAADHO CN(CCNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC001127480436 786030091 /nfs/dbraw/zinc/03/00/91/786030091.db2.gz JPGYFFGULIUIBQ-CYBMUJFWSA-N 1 3 332.470 -1.075 20 0 EAADHO CN(CCNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC001127480437 786030278 /nfs/dbraw/zinc/03/02/78/786030278.db2.gz JPGYFFGULIUIBQ-ZDUSSCGKSA-N 1 3 332.470 -1.075 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001127559014 786033891 /nfs/dbraw/zinc/03/38/91/786033891.db2.gz YCHGRSBAYTYORD-LLVKDONJSA-N 1 3 336.396 -1.431 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001127559016 786033735 /nfs/dbraw/zinc/03/37/35/786033735.db2.gz YCHGRSBAYTYORD-NSHDSACASA-N 1 3 336.396 -1.431 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001127562120 786033899 /nfs/dbraw/zinc/03/38/99/786033899.db2.gz DATLKTXDGSPLNH-UHFFFAOYSA-N 1 3 325.373 -2.041 20 0 EAADHO C[C@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC(N)=O ZINC001127563263 786033549 /nfs/dbraw/zinc/03/35/49/786033549.db2.gz VJHVTXDSXYNHDZ-JTQLQIEISA-N 1 3 339.400 -1.653 20 0 EAADHO C[C@@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC(N)=O ZINC001127563264 786033546 /nfs/dbraw/zinc/03/35/46/786033546.db2.gz VJHVTXDSXYNHDZ-SNVBAGLBSA-N 1 3 339.400 -1.653 20 0 EAADHO C[NH+](C)CCn1ccc(C(=O)NCCNCCNS(C)(=O)=O)n1 ZINC001127563392 786033726 /nfs/dbraw/zinc/03/37/26/786033726.db2.gz XZZVMLXLKXZDHD-UHFFFAOYSA-N 1 3 346.457 -1.687 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575773 786034478 /nfs/dbraw/zinc/03/44/78/786034478.db2.gz BDGUOGFQFQLOHX-UHFFFAOYSA-N 1 3 339.400 -1.780 20 0 EAADHO C[C@@H]1[C@H](C(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC001127660207 786037883 /nfs/dbraw/zinc/03/78/83/786037883.db2.gz RKHZESPASCOJDR-DGCLKSJQSA-N 1 3 337.424 -1.370 20 0 EAADHO C[C@@H]1[C@H](C(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC001127660207 786037880 /nfs/dbraw/zinc/03/78/80/786037880.db2.gz RKHZESPASCOJDR-DGCLKSJQSA-N 1 3 337.424 -1.370 20 0 EAADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778482 786074656 /nfs/dbraw/zinc/07/46/56/786074656.db2.gz GAUFHZWUJZZMIB-KBPBESRZSA-N 1 3 340.424 -1.586 20 0 EAADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778482 786074647 /nfs/dbraw/zinc/07/46/47/786074647.db2.gz GAUFHZWUJZZMIB-KBPBESRZSA-N 1 3 340.424 -1.586 20 0 EAADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778483 786073605 /nfs/dbraw/zinc/07/36/05/786073605.db2.gz GAUFHZWUJZZMIB-KGLIPLIRSA-N 1 3 340.424 -1.586 20 0 EAADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778483 786073598 /nfs/dbraw/zinc/07/35/98/786073598.db2.gz GAUFHZWUJZZMIB-KGLIPLIRSA-N 1 3 340.424 -1.586 20 0 EAADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778484 786075282 /nfs/dbraw/zinc/07/52/82/786075282.db2.gz GAUFHZWUJZZMIB-UONOGXRCSA-N 1 3 340.424 -1.586 20 0 EAADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778484 786075274 /nfs/dbraw/zinc/07/52/74/786075274.db2.gz GAUFHZWUJZZMIB-UONOGXRCSA-N 1 3 340.424 -1.586 20 0 EAADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778485 786074019 /nfs/dbraw/zinc/07/40/19/786074019.db2.gz GAUFHZWUJZZMIB-ZIAGYGMSSA-N 1 3 340.424 -1.586 20 0 EAADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778485 786074013 /nfs/dbraw/zinc/07/40/13/786074013.db2.gz GAUFHZWUJZZMIB-ZIAGYGMSSA-N 1 3 340.424 -1.586 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779054 786073976 /nfs/dbraw/zinc/07/39/76/786073976.db2.gz IRHPWDDSHRYHLL-GHMZBOCLSA-N 1 3 327.385 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779054 786073971 /nfs/dbraw/zinc/07/39/71/786073971.db2.gz IRHPWDDSHRYHLL-GHMZBOCLSA-N 1 3 327.385 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779056 786075389 /nfs/dbraw/zinc/07/53/89/786075389.db2.gz IRHPWDDSHRYHLL-MNOVXSKESA-N 1 3 327.385 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779056 786075382 /nfs/dbraw/zinc/07/53/82/786075382.db2.gz IRHPWDDSHRYHLL-MNOVXSKESA-N 1 3 327.385 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779059 786075037 /nfs/dbraw/zinc/07/50/37/786075037.db2.gz IRHPWDDSHRYHLL-QWRGUYRKSA-N 1 3 327.385 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779059 786075032 /nfs/dbraw/zinc/07/50/32/786075032.db2.gz IRHPWDDSHRYHLL-QWRGUYRKSA-N 1 3 327.385 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779061 786074053 /nfs/dbraw/zinc/07/40/53/786074053.db2.gz IRHPWDDSHRYHLL-WDEREUQCSA-N 1 3 327.385 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779061 786074049 /nfs/dbraw/zinc/07/40/49/786074049.db2.gz IRHPWDDSHRYHLL-WDEREUQCSA-N 1 3 327.385 -1.989 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779862 786073549 /nfs/dbraw/zinc/07/35/49/786073549.db2.gz RUQMGNMFRIKTGN-NEPJUHHUSA-N 1 3 341.412 -1.599 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779862 786073539 /nfs/dbraw/zinc/07/35/39/786073539.db2.gz RUQMGNMFRIKTGN-NEPJUHHUSA-N 1 3 341.412 -1.599 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779863 786074402 /nfs/dbraw/zinc/07/44/02/786074402.db2.gz RUQMGNMFRIKTGN-NWDGAFQWSA-N 1 3 341.412 -1.599 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779863 786074396 /nfs/dbraw/zinc/07/43/96/786074396.db2.gz RUQMGNMFRIKTGN-NWDGAFQWSA-N 1 3 341.412 -1.599 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779864 786075308 /nfs/dbraw/zinc/07/53/08/786075308.db2.gz RUQMGNMFRIKTGN-RYUDHWBXSA-N 1 3 341.412 -1.599 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779864 786075302 /nfs/dbraw/zinc/07/53/02/786075302.db2.gz RUQMGNMFRIKTGN-RYUDHWBXSA-N 1 3 341.412 -1.599 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779865 786074361 /nfs/dbraw/zinc/07/43/61/786074361.db2.gz RUQMGNMFRIKTGN-VXGBXAGGSA-N 1 3 341.412 -1.599 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779865 786074355 /nfs/dbraw/zinc/07/43/55/786074355.db2.gz RUQMGNMFRIKTGN-VXGBXAGGSA-N 1 3 341.412 -1.599 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780352 786075171 /nfs/dbraw/zinc/07/51/71/786075171.db2.gz XWICSRCIWRFVRG-KBPBESRZSA-N 1 3 342.440 -1.292 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780352 786075168 /nfs/dbraw/zinc/07/51/68/786075168.db2.gz XWICSRCIWRFVRG-KBPBESRZSA-N 1 3 342.440 -1.292 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780354 786075000 /nfs/dbraw/zinc/07/50/00/786075000.db2.gz XWICSRCIWRFVRG-KGLIPLIRSA-N 1 3 342.440 -1.292 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780354 786074993 /nfs/dbraw/zinc/07/49/93/786074993.db2.gz XWICSRCIWRFVRG-KGLIPLIRSA-N 1 3 342.440 -1.292 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780356 786075061 /nfs/dbraw/zinc/07/50/61/786075061.db2.gz XWICSRCIWRFVRG-UONOGXRCSA-N 1 3 342.440 -1.292 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780356 786075058 /nfs/dbraw/zinc/07/50/58/786075058.db2.gz XWICSRCIWRFVRG-UONOGXRCSA-N 1 3 342.440 -1.292 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780358 786074088 /nfs/dbraw/zinc/07/40/88/786074088.db2.gz XWICSRCIWRFVRG-ZIAGYGMSSA-N 1 3 342.440 -1.292 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780358 786074081 /nfs/dbraw/zinc/07/40/81/786074081.db2.gz XWICSRCIWRFVRG-ZIAGYGMSSA-N 1 3 342.440 -1.292 20 0 EAADHO CN(CCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780443 786074326 /nfs/dbraw/zinc/07/43/26/786074326.db2.gz YYPXTOOIQVWXPP-CHWSQXEVSA-N 1 3 348.469 -1.553 20 0 EAADHO CN(CCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780443 786074322 /nfs/dbraw/zinc/07/43/22/786074322.db2.gz YYPXTOOIQVWXPP-CHWSQXEVSA-N 1 3 348.469 -1.553 20 0 EAADHO CN(CCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780444 786074808 /nfs/dbraw/zinc/07/48/08/786074808.db2.gz YYPXTOOIQVWXPP-OLZOCXBDSA-N 1 3 348.469 -1.553 20 0 EAADHO CN(CCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780444 786074803 /nfs/dbraw/zinc/07/48/03/786074803.db2.gz YYPXTOOIQVWXPP-OLZOCXBDSA-N 1 3 348.469 -1.553 20 0 EAADHO CN(CCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780445 786074489 /nfs/dbraw/zinc/07/44/89/786074489.db2.gz YYPXTOOIQVWXPP-QWHCGFSZSA-N 1 3 348.469 -1.553 20 0 EAADHO CN(CCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780445 786074484 /nfs/dbraw/zinc/07/44/84/786074484.db2.gz YYPXTOOIQVWXPP-QWHCGFSZSA-N 1 3 348.469 -1.553 20 0 EAADHO CN(CCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780446 786075252 /nfs/dbraw/zinc/07/52/52/786075252.db2.gz YYPXTOOIQVWXPP-STQMWFEESA-N 1 3 348.469 -1.553 20 0 EAADHO CN(CCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780446 786075248 /nfs/dbraw/zinc/07/52/48/786075248.db2.gz YYPXTOOIQVWXPP-STQMWFEESA-N 1 3 348.469 -1.553 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780556 786074936 /nfs/dbraw/zinc/07/49/36/786074936.db2.gz ZXHWZIWLFBZQIA-KBPBESRZSA-N 1 3 342.440 -1.292 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780556 786074929 /nfs/dbraw/zinc/07/49/29/786074929.db2.gz ZXHWZIWLFBZQIA-KBPBESRZSA-N 1 3 342.440 -1.292 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780558 786074293 /nfs/dbraw/zinc/07/42/93/786074293.db2.gz ZXHWZIWLFBZQIA-KGLIPLIRSA-N 1 3 342.440 -1.292 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780558 786074285 /nfs/dbraw/zinc/07/42/85/786074285.db2.gz ZXHWZIWLFBZQIA-KGLIPLIRSA-N 1 3 342.440 -1.292 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780560 786074717 /nfs/dbraw/zinc/07/47/17/786074717.db2.gz ZXHWZIWLFBZQIA-UONOGXRCSA-N 1 3 342.440 -1.292 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780560 786074712 /nfs/dbraw/zinc/07/47/12/786074712.db2.gz ZXHWZIWLFBZQIA-UONOGXRCSA-N 1 3 342.440 -1.292 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780562 786075341 /nfs/dbraw/zinc/07/53/41/786075341.db2.gz ZXHWZIWLFBZQIA-ZIAGYGMSSA-N 1 3 342.440 -1.292 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780562 786075335 /nfs/dbraw/zinc/07/53/35/786075335.db2.gz ZXHWZIWLFBZQIA-ZIAGYGMSSA-N 1 3 342.440 -1.292 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784986 786073883 /nfs/dbraw/zinc/07/38/83/786073883.db2.gz CYRBLRNNKLEYLH-CHWSQXEVSA-N 1 3 348.469 -1.505 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784986 786073878 /nfs/dbraw/zinc/07/38/78/786073878.db2.gz CYRBLRNNKLEYLH-CHWSQXEVSA-N 1 3 348.469 -1.505 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784987 786074878 /nfs/dbraw/zinc/07/48/78/786074878.db2.gz CYRBLRNNKLEYLH-OLZOCXBDSA-N 1 3 348.469 -1.505 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784987 786074870 /nfs/dbraw/zinc/07/48/70/786074870.db2.gz CYRBLRNNKLEYLH-OLZOCXBDSA-N 1 3 348.469 -1.505 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784988 786074112 /nfs/dbraw/zinc/07/41/12/786074112.db2.gz CYRBLRNNKLEYLH-QWHCGFSZSA-N 1 3 348.469 -1.505 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784988 786074107 /nfs/dbraw/zinc/07/41/07/786074107.db2.gz CYRBLRNNKLEYLH-QWHCGFSZSA-N 1 3 348.469 -1.505 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784989 786074605 /nfs/dbraw/zinc/07/46/05/786074605.db2.gz CYRBLRNNKLEYLH-STQMWFEESA-N 1 3 348.469 -1.505 20 0 EAADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784989 786074601 /nfs/dbraw/zinc/07/46/01/786074601.db2.gz CYRBLRNNKLEYLH-STQMWFEESA-N 1 3 348.469 -1.505 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785035 786075106 /nfs/dbraw/zinc/07/51/06/786075106.db2.gz FATNERAVJBXAQU-NEPJUHHUSA-N 1 3 334.442 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785035 786075100 /nfs/dbraw/zinc/07/51/00/786075100.db2.gz FATNERAVJBXAQU-NEPJUHHUSA-N 1 3 334.442 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785037 786074837 /nfs/dbraw/zinc/07/48/37/786074837.db2.gz FATNERAVJBXAQU-NWDGAFQWSA-N 1 3 334.442 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785037 786074831 /nfs/dbraw/zinc/07/48/31/786074831.db2.gz FATNERAVJBXAQU-NWDGAFQWSA-N 1 3 334.442 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785038 786074974 /nfs/dbraw/zinc/07/49/74/786074974.db2.gz FATNERAVJBXAQU-RYUDHWBXSA-N 1 3 334.442 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785038 786074967 /nfs/dbraw/zinc/07/49/67/786074967.db2.gz FATNERAVJBXAQU-RYUDHWBXSA-N 1 3 334.442 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785040 786073824 /nfs/dbraw/zinc/07/38/24/786073824.db2.gz FATNERAVJBXAQU-VXGBXAGGSA-N 1 3 334.442 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785040 786073811 /nfs/dbraw/zinc/07/38/11/786073811.db2.gz FATNERAVJBXAQU-VXGBXAGGSA-N 1 3 334.442 -1.895 20 0 EAADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128539715 786191212 /nfs/dbraw/zinc/19/12/12/786191212.db2.gz IKEQAORKDVANMY-LLVKDONJSA-N 1 3 326.438 -1.079 20 0 EAADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128539716 786191046 /nfs/dbraw/zinc/19/10/46/786191046.db2.gz IKEQAORKDVANMY-NSHDSACASA-N 1 3 326.438 -1.079 20 0 EAADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128540345 786190668 /nfs/dbraw/zinc/19/06/68/786190668.db2.gz USOQNEHXARBHEY-LLVKDONJSA-N 1 3 331.392 -1.076 20 0 EAADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128540351 786191055 /nfs/dbraw/zinc/19/10/55/786191055.db2.gz USOQNEHXARBHEY-NSHDSACASA-N 1 3 331.392 -1.076 20 0 EAADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CCC1 ZINC001129363508 786573916 /nfs/dbraw/zinc/57/39/16/786573916.db2.gz IHQXKMWYWLMGQF-GFCCVEGCSA-N 1 3 340.424 -1.314 20 0 EAADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CCC1 ZINC001129363509 786574203 /nfs/dbraw/zinc/57/42/03/786574203.db2.gz IHQXKMWYWLMGQF-LBPRGKRZSA-N 1 3 340.424 -1.314 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363957 786573861 /nfs/dbraw/zinc/57/38/61/786573861.db2.gz NRELVCBEFSCFSY-GFCCVEGCSA-N 1 3 341.412 -1.470 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363957 786573854 /nfs/dbraw/zinc/57/38/54/786573854.db2.gz NRELVCBEFSCFSY-GFCCVEGCSA-N 1 3 341.412 -1.470 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363959 786574056 /nfs/dbraw/zinc/57/40/56/786574056.db2.gz NRELVCBEFSCFSY-LBPRGKRZSA-N 1 3 341.412 -1.470 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363959 786574048 /nfs/dbraw/zinc/57/40/48/786574048.db2.gz NRELVCBEFSCFSY-LBPRGKRZSA-N 1 3 341.412 -1.470 20 0 EAADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001129442509 786843383 /nfs/dbraw/zinc/84/33/83/786843383.db2.gz BPRYIROYIMAAMU-CYBMUJFWSA-N 1 3 325.413 -1.026 20 0 EAADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001129442510 786843714 /nfs/dbraw/zinc/84/37/14/786843714.db2.gz BPRYIROYIMAAMU-ZDUSSCGKSA-N 1 3 325.413 -1.026 20 0 EAADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442518 786842585 /nfs/dbraw/zinc/84/25/85/786842585.db2.gz BVDGWYHTHGBEFM-DOMZBBRYSA-N 1 3 340.424 -1.458 20 0 EAADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442519 786843090 /nfs/dbraw/zinc/84/30/90/786843090.db2.gz BVDGWYHTHGBEFM-IUODEOHRSA-N 1 3 340.424 -1.458 20 0 EAADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442520 786844160 /nfs/dbraw/zinc/84/41/60/786844160.db2.gz BVDGWYHTHGBEFM-SWLSCSKDSA-N 1 3 340.424 -1.458 20 0 EAADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001129442521 786843114 /nfs/dbraw/zinc/84/31/14/786843114.db2.gz BVDGWYHTHGBEFM-WFASDCNBSA-N 1 3 340.424 -1.458 20 0 EAADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CCC1 ZINC001129535103 786850543 /nfs/dbraw/zinc/85/05/43/786850543.db2.gz JHUQAXNHCBJOSQ-CYBMUJFWSA-N 1 3 340.424 -1.314 20 0 EAADHO CN(CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CCC1 ZINC001129535104 786850394 /nfs/dbraw/zinc/85/03/94/786850394.db2.gz JHUQAXNHCBJOSQ-ZDUSSCGKSA-N 1 3 340.424 -1.314 20 0 EAADHO CN(CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C1CCC1 ZINC001129535403 786850365 /nfs/dbraw/zinc/85/03/65/786850365.db2.gz PXCDNQSXHUOOLO-UHFFFAOYSA-N 1 3 337.424 -1.226 20 0 EAADHO CC(C)[C@@H](C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001129949298 786887568 /nfs/dbraw/zinc/88/75/68/786887568.db2.gz ATCNNQMVXKUPOQ-AWEZNQCLSA-N 1 3 339.440 -1.124 20 0 EAADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001129950480 786887086 /nfs/dbraw/zinc/88/70/86/786887086.db2.gz VLNAAOXKYLOKCA-DOMZBBRYSA-N 1 3 342.440 -1.212 20 0 EAADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001129950483 786887672 /nfs/dbraw/zinc/88/76/72/786887672.db2.gz VLNAAOXKYLOKCA-WFASDCNBSA-N 1 3 342.440 -1.212 20 0 EAADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129992159 786897659 /nfs/dbraw/zinc/89/76/59/786897659.db2.gz NTHSPCXSDGYZJO-KGLIPLIRSA-N 1 3 340.428 -1.420 20 0 EAADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129994645 786893419 /nfs/dbraw/zinc/89/34/19/786893419.db2.gz ZDOOGQGFFHDIMW-KGLIPLIRSA-N 1 3 347.427 -1.137 20 0 EAADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001130205765 786918885 /nfs/dbraw/zinc/91/88/85/786918885.db2.gz VVPQODHXQLBXTJ-NWDGAFQWSA-N 1 3 328.413 -1.458 20 0 EAADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001130205766 786917945 /nfs/dbraw/zinc/91/79/45/786917945.db2.gz VVPQODHXQLBXTJ-VXGBXAGGSA-N 1 3 328.413 -1.458 20 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/nfs/dbraw/zinc/05/99/68/787059968.db2.gz AAHCXRMXDVPKBK-UYJPIKCFSA-N 1 3 337.424 -1.419 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519200 787059523 /nfs/dbraw/zinc/05/95/23/787059523.db2.gz ADRUVQDCZMSBKP-LOIXOFCESA-N 1 3 339.396 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519200 787059510 /nfs/dbraw/zinc/05/95/10/787059510.db2.gz ADRUVQDCZMSBKP-LOIXOFCESA-N 1 3 339.396 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519201 787059954 /nfs/dbraw/zinc/05/99/54/787059954.db2.gz ADRUVQDCZMSBKP-VTWZXRTESA-N 1 3 339.396 -1.989 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519201 787059947 /nfs/dbraw/zinc/05/99/47/787059947.db2.gz ADRUVQDCZMSBKP-VTWZXRTESA-N 1 3 339.396 -1.989 20 0 EAADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519430 787059654 /nfs/dbraw/zinc/05/96/54/787059654.db2.gz FFTLSRZBFYZJFN-LZUBYRBGSA-N 1 3 336.392 -1.639 20 0 EAADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519430 787059641 /nfs/dbraw/zinc/05/96/41/787059641.db2.gz FFTLSRZBFYZJFN-LZUBYRBGSA-N 1 3 336.392 -1.639 20 0 EAADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519431 787060706 /nfs/dbraw/zinc/06/07/06/787060706.db2.gz FFTLSRZBFYZJFN-QNGPIJNLSA-N 1 3 336.392 -1.639 20 0 EAADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519431 787060695 /nfs/dbraw/zinc/06/06/95/787060695.db2.gz FFTLSRZBFYZJFN-QNGPIJNLSA-N 1 3 336.392 -1.639 20 0 EAADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519432 787059131 /nfs/dbraw/zinc/05/91/31/787059131.db2.gz FFTLSRZBFYZJFN-SLMGRZLQSA-N 1 3 336.392 -1.639 20 0 EAADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519432 787059124 /nfs/dbraw/zinc/05/91/24/787059124.db2.gz FFTLSRZBFYZJFN-SLMGRZLQSA-N 1 3 336.392 -1.639 20 0 EAADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519433 787058669 /nfs/dbraw/zinc/05/86/69/787058669.db2.gz FFTLSRZBFYZJFN-YZUGKSJVSA-N 1 3 336.392 -1.639 20 0 EAADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519433 787058662 /nfs/dbraw/zinc/05/86/62/787058662.db2.gz FFTLSRZBFYZJFN-YZUGKSJVSA-N 1 3 336.392 -1.639 20 0 EAADHO CS(=O)(=O)CCNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520253 787058603 /nfs/dbraw/zinc/05/86/03/787058603.db2.gz WDVKKFDWSNTLBZ-LXVYMNJGSA-N 1 3 331.438 -1.400 20 0 EAADHO CS(=O)(=O)CCNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520253 787058595 /nfs/dbraw/zinc/05/85/95/787058595.db2.gz WDVKKFDWSNTLBZ-LXVYMNJGSA-N 1 3 331.438 -1.400 20 0 EAADHO CS(=O)(=O)CCNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520254 787059441 /nfs/dbraw/zinc/05/94/41/787059441.db2.gz WDVKKFDWSNTLBZ-MBHSVXNSSA-N 1 3 331.438 -1.400 20 0 EAADHO CS(=O)(=O)CCNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520254 787059431 /nfs/dbraw/zinc/05/94/31/787059431.db2.gz WDVKKFDWSNTLBZ-MBHSVXNSSA-N 1 3 331.438 -1.400 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520468 787060069 /nfs/dbraw/zinc/06/00/69/787060069.db2.gz YUFQCYAELIQWJG-OPASDULOSA-N 1 3 325.369 -2.250 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520468 787060057 /nfs/dbraw/zinc/06/00/57/787060057.db2.gz YUFQCYAELIQWJG-OPASDULOSA-N 1 3 325.369 -2.250 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520469 787059722 /nfs/dbraw/zinc/05/97/22/787059722.db2.gz YUFQCYAELIQWJG-XIRUVYRFSA-N 1 3 325.369 -2.250 20 0 EAADHO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520469 787059715 /nfs/dbraw/zinc/05/97/15/787059715.db2.gz YUFQCYAELIQWJG-XIRUVYRFSA-N 1 3 325.369 -2.250 20 0 EAADHO C[C@H](NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521756 787060869 /nfs/dbraw/zinc/06/08/69/787060869.db2.gz GAFSFOJCUGBSRE-BFVXHGPNSA-N 1 3 339.396 -1.861 20 0 EAADHO C[C@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521756 787060861 /nfs/dbraw/zinc/06/08/61/787060861.db2.gz GAFSFOJCUGBSRE-BFVXHGPNSA-N 1 3 339.396 -1.861 20 0 EAADHO C[C@@H](NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521757 787059376 /nfs/dbraw/zinc/05/93/76/787059376.db2.gz GAFSFOJCUGBSRE-GPZIFOQPSA-N 1 3 339.396 -1.861 20 0 EAADHO C[C@@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521757 787059369 /nfs/dbraw/zinc/05/93/69/787059369.db2.gz GAFSFOJCUGBSRE-GPZIFOQPSA-N 1 3 339.396 -1.861 20 0 EAADHO C[C@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521758 787060979 /nfs/dbraw/zinc/06/09/79/787060979.db2.gz GAFSFOJCUGBSRE-PAPNWUEJSA-N 1 3 339.396 -1.861 20 0 EAADHO C[C@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521758 787060967 /nfs/dbraw/zinc/06/09/67/787060967.db2.gz GAFSFOJCUGBSRE-PAPNWUEJSA-N 1 3 339.396 -1.861 20 0 EAADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521759 787058517 /nfs/dbraw/zinc/05/85/17/787058517.db2.gz GAFSFOJCUGBSRE-VQEBWTGLSA-N 1 3 339.396 -1.861 20 0 EAADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521759 787058505 /nfs/dbraw/zinc/05/85/05/787058505.db2.gz GAFSFOJCUGBSRE-VQEBWTGLSA-N 1 3 339.396 -1.861 20 0 EAADHO CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521797 787059884 /nfs/dbraw/zinc/05/98/84/787059884.db2.gz HYLFAWFZGHSIEQ-JVWICGRDSA-N 1 3 345.465 -1.010 20 0 EAADHO CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521798 787058417 /nfs/dbraw/zinc/05/84/17/787058417.db2.gz HYLFAWFZGHSIEQ-OWYJLGKBSA-N 1 3 345.465 -1.010 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522089 787058954 /nfs/dbraw/zinc/05/89/54/787058954.db2.gz RZNMMHCXVFQOJP-LXVYMNJGSA-N 1 3 346.453 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522089 787058942 /nfs/dbraw/zinc/05/89/42/787058942.db2.gz RZNMMHCXVFQOJP-LXVYMNJGSA-N 1 3 346.453 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522090 787059604 /nfs/dbraw/zinc/05/96/04/787059604.db2.gz RZNMMHCXVFQOJP-MBHSVXNSSA-N 1 3 346.453 -1.895 20 0 EAADHO CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522090 787059593 /nfs/dbraw/zinc/05/95/93/787059593.db2.gz RZNMMHCXVFQOJP-MBHSVXNSSA-N 1 3 346.453 -1.895 20 0 EAADHO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131525988 787060114 /nfs/dbraw/zinc/06/01/14/787060114.db2.gz UCZLNLJDUXRUPH-DGNOSDGRSA-N 1 3 349.435 -1.187 20 0 EAADHO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131525989 787059475 /nfs/dbraw/zinc/05/94/75/787059475.db2.gz UCZLNLJDUXRUPH-GWUWNPHMSA-N 1 3 349.435 -1.187 20 0 EAADHO O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131525990 787060554 /nfs/dbraw/zinc/06/05/54/787060554.db2.gz UCZLNLJDUXRUPH-GYMHETDLSA-N 1 3 349.435 -1.187 20 0 EAADHO O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131525991 787059561 /nfs/dbraw/zinc/05/95/61/787059561.db2.gz UCZLNLJDUXRUPH-KRIMKBQASA-N 1 3 349.435 -1.187 20 0 EAADHO Cn1c(CNCCNC(=O)C2(C[NH+](C)C)CC2)cc(=O)n(C)c1=O ZINC001132997942 787170293 /nfs/dbraw/zinc/17/02/93/787170293.db2.gz MOAQJRRVRMBPAT-UHFFFAOYSA-N 1 3 337.424 -1.368 20 0 EAADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133051669 787173354 /nfs/dbraw/zinc/17/33/54/787173354.db2.gz KPZBUMKOMJWETK-CYBMUJFWSA-N 1 3 341.456 -1.242 20 0 EAADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133051670 787173136 /nfs/dbraw/zinc/17/31/36/787173136.db2.gz KPZBUMKOMJWETK-ZDUSSCGKSA-N 1 3 341.456 -1.242 20 0 EAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)CCC[NH+](C)C)CC1 ZINC001133051707 787173365 /nfs/dbraw/zinc/17/33/65/787173365.db2.gz LWYFRJQNIKKLJQ-UHFFFAOYSA-N 1 3 341.456 -1.275 20 0 EAADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001133051736 787173169 /nfs/dbraw/zinc/17/31/69/787173169.db2.gz NAHUCHMGWGZUKJ-UHFFFAOYSA-N 1 3 341.456 -1.242 20 0 EAADHO Cn1c(CNCCNC(=O)CCC[NH+](C)C)cc(=O)n(C)c1=O ZINC001133051982 787173501 /nfs/dbraw/zinc/17/35/01/787173501.db2.gz XBMORBANIVBOII-UHFFFAOYSA-N 1 3 325.413 -1.368 20 0 EAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133054278 787172934 /nfs/dbraw/zinc/17/29/34/787172934.db2.gz FRKXJRBASWVJMX-GFCCVEGCSA-N 1 3 345.444 -1.105 20 0 EAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133054279 787173261 /nfs/dbraw/zinc/17/32/61/787173261.db2.gz FRKXJRBASWVJMX-LBPRGKRZSA-N 1 3 345.444 -1.105 20 0 EAADHO Cn1c(CNCCNC(=O)C2CC[NH+](C)CC2)cc(=O)n(C)c1=O ZINC001133285755 787185595 /nfs/dbraw/zinc/18/55/95/787185595.db2.gz HISIHPMIEFSBNE-UHFFFAOYSA-N 1 3 337.424 -1.368 20 0 EAADHO COCCCS(=O)(=O)NCCNCCNC(=O)CC[NH+](C)C ZINC001133290766 787185931 /nfs/dbraw/zinc/18/59/31/787185931.db2.gz AXKHWOOPLKDZPN-UHFFFAOYSA-N 1 3 338.474 -1.400 20 0 EAADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCCCN1CCCC1=O ZINC001133290767 787185948 /nfs/dbraw/zinc/18/59/48/787185948.db2.gz AXOSXZGIUGNTNE-UHFFFAOYSA-N 1 3 341.456 -1.227 20 0 EAADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001133290821 787186079 /nfs/dbraw/zinc/18/60/79/787186079.db2.gz DPZJFOBTOREWKH-UHFFFAOYSA-N 1 3 327.429 -1.632 20 0 EAADHO Cn1cc(S(=O)(=O)NCCNCCNC(=O)CC[NH+](C)C)cn1 ZINC001133291476 787185387 /nfs/dbraw/zinc/18/53/87/787185387.db2.gz RASFNWJKUPDLTF-UHFFFAOYSA-N 1 3 346.457 -1.644 20 0 EAADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133291519 787185481 /nfs/dbraw/zinc/18/54/81/787185481.db2.gz SYTDOVORIHWEFI-GFCCVEGCSA-N 1 3 327.429 -1.632 20 0 EAADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133291520 787185727 /nfs/dbraw/zinc/18/57/27/787185727.db2.gz SYTDOVORIHWEFI-LBPRGKRZSA-N 1 3 327.429 -1.632 20 0 EAADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133291526 787186163 /nfs/dbraw/zinc/18/61/63/787186163.db2.gz TYEUZEAFQGAOJW-CHWSQXEVSA-N 1 3 341.456 -1.244 20 0 EAADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133291527 787186033 /nfs/dbraw/zinc/18/60/33/787186033.db2.gz TYEUZEAFQGAOJW-OLZOCXBDSA-N 1 3 341.456 -1.244 20 0 EAADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001133291528 787185704 /nfs/dbraw/zinc/18/57/04/787185704.db2.gz TYEUZEAFQGAOJW-QWHCGFSZSA-N 1 3 341.456 -1.244 20 0 EAADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133291529 787186198 /nfs/dbraw/zinc/18/61/98/787186198.db2.gz TYEUZEAFQGAOJW-STQMWFEESA-N 1 3 341.456 -1.244 20 0 EAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)CC[NH+](C)C)CC1 ZINC001133291763 787186107 /nfs/dbraw/zinc/18/61/07/787186107.db2.gz ZCSCOSCHYCUGTE-UHFFFAOYSA-N 1 3 327.429 -1.665 20 0 EAADHO CC(=O)N1CCN(C(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C)CC1 ZINC001133294328 787185670 /nfs/dbraw/zinc/18/56/70/787185670.db2.gz CVGLWAHJECSPNY-CYBMUJFWSA-N 1 3 341.456 -1.277 20 0 EAADHO CC(=O)N1CCN(C(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C)CC1 ZINC001133294329 787186089 /nfs/dbraw/zinc/18/60/89/787186089.db2.gz CVGLWAHJECSPNY-ZDUSSCGKSA-N 1 3 341.456 -1.277 20 0 EAADHO CC(=O)N[C@H]1CCCN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1 ZINC001133294838 787185609 /nfs/dbraw/zinc/18/56/09/787185609.db2.gz WRBPGSWZRIPXOS-AWEZNQCLSA-N 1 3 341.456 -1.229 20 0 EAADHO CC(=O)N[C@@H]1CCCN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1 ZINC001133294839 787185837 /nfs/dbraw/zinc/18/58/37/787185837.db2.gz WRBPGSWZRIPXOS-CQSZACIVSA-N 1 3 341.456 -1.229 20 0 EAADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC(C(N)=O)CC1 ZINC001133294879 787185986 /nfs/dbraw/zinc/18/59/86/787185986.db2.gz XTTURAMFQIQBOV-GFCCVEGCSA-N 1 3 341.456 -1.244 20 0 EAADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC(C(N)=O)CC1 ZINC001133294881 787185429 /nfs/dbraw/zinc/18/54/29/787185429.db2.gz XTTURAMFQIQBOV-LBPRGKRZSA-N 1 3 341.456 -1.244 20 0 EAADHO CC(=O)N1CCC(NC(=O)CNCCNC(=O)CC[NH+](C)C)CC1 ZINC001133298021 787186845 /nfs/dbraw/zinc/18/68/45/787186845.db2.gz WRSSBPREICIMGA-UHFFFAOYSA-N 1 3 341.456 -1.229 20 0 EAADHO CNC(=O)C1CCN(C(=O)CNCCNC(=O)CC[NH+](C)C)CC1 ZINC001133300035 787185801 /nfs/dbraw/zinc/18/58/01/787185801.db2.gz HGBQLCNKRFSAAQ-UHFFFAOYSA-N 1 3 341.456 -1.372 20 0 EAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133300104 787185894 /nfs/dbraw/zinc/18/58/94/787185894.db2.gz KVOJWZMPXAXRLO-LLVKDONJSA-N 1 3 331.417 -1.495 20 0 EAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133300105 787186226 /nfs/dbraw/zinc/18/62/26/787186226.db2.gz KVOJWZMPXAXRLO-NSHDSACASA-N 1 3 331.417 -1.495 20 0 EAADHO CC(C)[C@H](C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001133433721 787189303 /nfs/dbraw/zinc/18/93/03/787189303.db2.gz ATCNNQMVXKUPOQ-CQSZACIVSA-N 1 3 339.440 -1.124 20 0 EAADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001133434517 787188873 /nfs/dbraw/zinc/18/88/73/787188873.db2.gz VLNAAOXKYLOKCA-IUODEOHRSA-N 1 3 342.440 -1.212 20 0 EAADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001133434518 787188716 /nfs/dbraw/zinc/18/87/16/787188716.db2.gz VLNAAOXKYLOKCA-SWLSCSKDSA-N 1 3 342.440 -1.212 20 0 EAADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133823735 787204716 /nfs/dbraw/zinc/20/47/16/787204716.db2.gz NBHOPJCSOZOISD-CHWSQXEVSA-N 1 3 340.424 -1.314 20 0 EAADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133823736 787205618 /nfs/dbraw/zinc/20/56/18/787205618.db2.gz NBHOPJCSOZOISD-OLZOCXBDSA-N 1 3 340.424 -1.314 20 0 EAADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133823737 787205603 /nfs/dbraw/zinc/20/56/03/787205603.db2.gz NBHOPJCSOZOISD-QWHCGFSZSA-N 1 3 340.424 -1.314 20 0 EAADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133823738 787204779 /nfs/dbraw/zinc/20/47/79/787204779.db2.gz NBHOPJCSOZOISD-STQMWFEESA-N 1 3 340.424 -1.314 20 0 EAADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133834030 787205350 /nfs/dbraw/zinc/20/53/50/787205350.db2.gz MCXNKDWVWQLHHW-GFCCVEGCSA-N 1 3 337.424 -1.226 20 0 EAADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133834030 787205346 /nfs/dbraw/zinc/20/53/46/787205346.db2.gz MCXNKDWVWQLHHW-GFCCVEGCSA-N 1 3 337.424 -1.226 20 0 EAADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133834031 787204363 /nfs/dbraw/zinc/20/43/63/787204363.db2.gz MCXNKDWVWQLHHW-LBPRGKRZSA-N 1 3 337.424 -1.226 20 0 EAADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133834031 787204358 /nfs/dbraw/zinc/20/43/58/787204358.db2.gz MCXNKDWVWQLHHW-LBPRGKRZSA-N 1 3 337.424 -1.226 20 0 EAADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133845584 787206312 /nfs/dbraw/zinc/20/63/12/787206312.db2.gz JDGSBSILTIOVED-GFCCVEGCSA-N 1 3 325.413 -1.024 20 0 EAADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133845585 787207622 /nfs/dbraw/zinc/20/76/22/787207622.db2.gz JDGSBSILTIOVED-LBPRGKRZSA-N 1 3 325.413 -1.024 20 0 EAADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849712 787206472 /nfs/dbraw/zinc/20/64/72/787206472.db2.gz CHXOGOJVGCEPDK-GFCCVEGCSA-N 1 3 337.424 -1.368 20 0 EAADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849712 787206465 /nfs/dbraw/zinc/20/64/65/787206465.db2.gz CHXOGOJVGCEPDK-GFCCVEGCSA-N 1 3 337.424 -1.368 20 0 EAADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849713 787207474 /nfs/dbraw/zinc/20/74/74/787207474.db2.gz CHXOGOJVGCEPDK-LBPRGKRZSA-N 1 3 337.424 -1.368 20 0 EAADHO C[C@H]1CC[N@H+](CC(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849713 787207468 /nfs/dbraw/zinc/20/74/68/787207468.db2.gz CHXOGOJVGCEPDK-LBPRGKRZSA-N 1 3 337.424 -1.368 20 0 EAADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850095 787206541 /nfs/dbraw/zinc/20/65/41/787206541.db2.gz IYWZUTOLQDIKTR-CHWSQXEVSA-N 1 3 340.424 -1.456 20 0 EAADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850096 787206287 /nfs/dbraw/zinc/20/62/87/787206287.db2.gz IYWZUTOLQDIKTR-OLZOCXBDSA-N 1 3 340.424 -1.456 20 0 EAADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850097 787206212 /nfs/dbraw/zinc/20/62/12/787206212.db2.gz IYWZUTOLQDIKTR-QWHCGFSZSA-N 1 3 340.424 -1.456 20 0 EAADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850098 787206577 /nfs/dbraw/zinc/20/65/77/787206577.db2.gz IYWZUTOLQDIKTR-STQMWFEESA-N 1 3 340.424 -1.456 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867442 787206891 /nfs/dbraw/zinc/20/68/91/787206891.db2.gz UYQBRNJUSQHNKF-AAEUAGOBSA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867442 787206885 /nfs/dbraw/zinc/20/68/85/787206885.db2.gz UYQBRNJUSQHNKF-AAEUAGOBSA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867443 787206598 /nfs/dbraw/zinc/20/65/98/787206598.db2.gz UYQBRNJUSQHNKF-DGCLKSJQSA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867443 787206590 /nfs/dbraw/zinc/20/65/90/787206590.db2.gz UYQBRNJUSQHNKF-DGCLKSJQSA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867444 787206379 /nfs/dbraw/zinc/20/63/79/787206379.db2.gz UYQBRNJUSQHNKF-WCQYABFASA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867444 787206374 /nfs/dbraw/zinc/20/63/74/787206374.db2.gz UYQBRNJUSQHNKF-WCQYABFASA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867445 787207517 /nfs/dbraw/zinc/20/75/17/787207517.db2.gz UYQBRNJUSQHNKF-YPMHNXCESA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001133867445 787207511 /nfs/dbraw/zinc/20/75/11/787207511.db2.gz UYQBRNJUSQHNKF-YPMHNXCESA-N 1 3 337.424 -1.513 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869596 787206976 /nfs/dbraw/zinc/20/69/76/787206976.db2.gz HHSZHWBOYOLQRK-CMPLNLGQSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869596 787206969 /nfs/dbraw/zinc/20/69/69/787206969.db2.gz HHSZHWBOYOLQRK-CMPLNLGQSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869597 787207400 /nfs/dbraw/zinc/20/74/00/787207400.db2.gz HHSZHWBOYOLQRK-JQWIXIFHSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869597 787207395 /nfs/dbraw/zinc/20/73/95/787207395.db2.gz HHSZHWBOYOLQRK-JQWIXIFHSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869598 787206757 /nfs/dbraw/zinc/20/67/57/787206757.db2.gz HHSZHWBOYOLQRK-PWSUYJOCSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869598 787206752 /nfs/dbraw/zinc/20/67/52/787206752.db2.gz HHSZHWBOYOLQRK-PWSUYJOCSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869599 787207641 /nfs/dbraw/zinc/20/76/41/787207641.db2.gz HHSZHWBOYOLQRK-ZYHUDNBSSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133869599 787207636 /nfs/dbraw/zinc/20/76/36/787207636.db2.gz HHSZHWBOYOLQRK-ZYHUDNBSSA-N 1 3 325.413 -1.122 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870112 787207119 /nfs/dbraw/zinc/20/71/19/787207119.db2.gz QABSXQFGPWOLRJ-CHWSQXEVSA-N 1 3 332.470 -1.075 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870112 787207111 /nfs/dbraw/zinc/20/71/11/787207111.db2.gz QABSXQFGPWOLRJ-CHWSQXEVSA-N 1 3 332.470 -1.075 20 0 EAADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870113 787206357 /nfs/dbraw/zinc/20/63/57/787206357.db2.gz QABSXQFGPWOLRJ-OLZOCXBDSA-N 1 3 332.470 -1.075 20 0 EAADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870113 787206353 /nfs/dbraw/zinc/20/63/53/787206353.db2.gz QABSXQFGPWOLRJ-OLZOCXBDSA-N 1 3 332.470 -1.075 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870114 787207446 /nfs/dbraw/zinc/20/74/46/787207446.db2.gz QABSXQFGPWOLRJ-QWHCGFSZSA-N 1 3 332.470 -1.075 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870114 787207438 /nfs/dbraw/zinc/20/74/38/787207438.db2.gz QABSXQFGPWOLRJ-QWHCGFSZSA-N 1 3 332.470 -1.075 20 0 EAADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870115 787207669 /nfs/dbraw/zinc/20/76/69/787207669.db2.gz QABSXQFGPWOLRJ-STQMWFEESA-N 1 3 332.470 -1.075 20 0 EAADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133870115 787207664 /nfs/dbraw/zinc/20/76/64/787207664.db2.gz QABSXQFGPWOLRJ-STQMWFEESA-N 1 3 332.470 -1.075 20 0 EAADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001133896122 787209583 /nfs/dbraw/zinc/20/95/83/787209583.db2.gz CSNIXXOFDUUEHD-UHFFFAOYSA-N 1 3 325.413 -1.024 20 0 EAADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001133966064 787214329 /nfs/dbraw/zinc/21/43/29/787214329.db2.gz VVPQODHXQLBXTJ-NEPJUHHUSA-N 1 3 328.413 -1.458 20 0 EAADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001133966065 787215495 /nfs/dbraw/zinc/21/54/95/787215495.db2.gz VVPQODHXQLBXTJ-RYUDHWBXSA-N 1 3 328.413 -1.458 20 0 EAADHO C[C@H](COCC(=O)NCCNCC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021165 787217307 /nfs/dbraw/zinc/21/73/07/787217307.db2.gz SZZPZJLHTXRUKQ-LLVKDONJSA-N 1 3 329.401 -1.612 20 0 EAADHO C[C@@H](COCC(=O)NCCNCC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021166 787217191 /nfs/dbraw/zinc/21/71/91/787217191.db2.gz SZZPZJLHTXRUKQ-NSHDSACASA-N 1 3 329.401 -1.612 20 0 EAADHO C[C@H](COCC(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021169 787216990 /nfs/dbraw/zinc/21/69/90/787216990.db2.gz TYOUTXHYAJHSGT-CHWSQXEVSA-N 1 3 340.424 -1.002 20 0 EAADHO C[C@H](COCC(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021170 787215823 /nfs/dbraw/zinc/21/58/23/787215823.db2.gz TYOUTXHYAJHSGT-OLZOCXBDSA-N 1 3 340.424 -1.002 20 0 EAADHO C[C@@H](COCC(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021171 787217522 /nfs/dbraw/zinc/21/75/22/787217522.db2.gz TYOUTXHYAJHSGT-QWHCGFSZSA-N 1 3 340.424 -1.002 20 0 EAADHO C[C@@H](COCC(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001134021172 787217434 /nfs/dbraw/zinc/21/74/34/787217434.db2.gz TYOUTXHYAJHSGT-STQMWFEESA-N 1 3 340.424 -1.002 20 0 EAADHO C[C@H](COCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021266 787217506 /nfs/dbraw/zinc/21/75/06/787217506.db2.gz WLUIHDWJKBMDRS-NEPJUHHUSA-N 1 3 343.428 -1.224 20 0 EAADHO C[C@@H](NCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001134021267 787217087 /nfs/dbraw/zinc/21/70/87/787217087.db2.gz WLUIHDWJKBMDRS-NWDGAFQWSA-N 1 3 343.428 -1.224 20 0 EAADHO C[C@@H](COCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021268 787216450 /nfs/dbraw/zinc/21/64/50/787216450.db2.gz WLUIHDWJKBMDRS-RYUDHWBXSA-N 1 3 343.428 -1.224 20 0 EAADHO C[C@H](COCC(=O)NCCN[C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001134021269 787217009 /nfs/dbraw/zinc/21/70/09/787217009.db2.gz WLUIHDWJKBMDRS-VXGBXAGGSA-N 1 3 343.428 -1.224 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134058230 787219373 /nfs/dbraw/zinc/21/93/73/787219373.db2.gz FWDVKSYEUFKJIZ-GFCCVEGCSA-N 1 3 343.428 -1.351 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134058231 787219640 /nfs/dbraw/zinc/21/96/40/787219640.db2.gz FWDVKSYEUFKJIZ-LBPRGKRZSA-N 1 3 343.428 -1.351 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001135114603 787273188 /nfs/dbraw/zinc/27/31/88/787273188.db2.gz JLEKGZCELYDTSR-UHFFFAOYSA-N 1 3 325.373 -2.041 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114814 787272783 /nfs/dbraw/zinc/27/27/83/787272783.db2.gz OVQNQXJYRLJZKH-UHFFFAOYSA-N 1 3 339.400 -1.780 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NCCNCCNS(C)(=O)=O)cn1 ZINC001135118745 787274566 /nfs/dbraw/zinc/27/45/66/787274566.db2.gz RPPZAHWPFDIGTI-UHFFFAOYSA-N 1 3 346.457 -1.687 20 0 EAADHO C[C@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC(N)=O ZINC001135119075 787274461 /nfs/dbraw/zinc/27/44/61/787274461.db2.gz XGHZKQBAYIVPLI-JTQLQIEISA-N 1 3 339.400 -1.653 20 0 EAADHO C[C@@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC(N)=O ZINC001135119076 787274762 /nfs/dbraw/zinc/27/47/62/787274762.db2.gz XGHZKQBAYIVPLI-SNVBAGLBSA-N 1 3 339.400 -1.653 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cn1 ZINC001135119281 787274821 /nfs/dbraw/zinc/27/48/21/787274821.db2.gz ZDCSSTGCASZKGY-GFCCVEGCSA-N 1 3 336.396 -1.431 20 0 EAADHO C[NH+](C)CCn1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cn1 ZINC001135119282 787274512 /nfs/dbraw/zinc/27/45/12/787274512.db2.gz ZDCSSTGCASZKGY-LBPRGKRZSA-N 1 3 336.396 -1.431 20 0 EAADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001135512925 787306613 /nfs/dbraw/zinc/30/66/13/787306613.db2.gz BPDBQXYZBJLQAN-GFCCVEGCSA-N 1 3 328.413 -1.456 20 0 EAADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001135512931 787306642 /nfs/dbraw/zinc/30/66/42/787306642.db2.gz BPDBQXYZBJLQAN-LBPRGKRZSA-N 1 3 328.413 -1.456 20 0 EAADHO CCOCCNC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958748 787326138 /nfs/dbraw/zinc/32/61/38/787326138.db2.gz DZPALYZMKFMOGK-UHFFFAOYSA-N 1 3 344.456 -1.044 20 0 EAADHO CCNC(=O)NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958833 787325836 /nfs/dbraw/zinc/32/58/36/787325836.db2.gz GHDOBJODRJZLPC-UHFFFAOYSA-N 1 3 343.428 -1.351 20 0 EAADHO CNC(=O)NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958862 787325784 /nfs/dbraw/zinc/32/57/84/787325784.db2.gz HFMQDGJXOHWPOE-UHFFFAOYSA-N 1 3 329.401 -1.741 20 0 EAADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)N2CCOCC2)CC1 ZINC001135959210 787326470 /nfs/dbraw/zinc/32/64/70/787326470.db2.gz LYNRFPGZMWFSEE-UHFFFAOYSA-N 1 3 342.440 -1.338 20 0 EAADHO C[NH+]1CCC(OCC(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001135959900 787325670 /nfs/dbraw/zinc/32/56/70/787325670.db2.gz VDNBSJXVSROODH-GFCCVEGCSA-N 1 3 326.397 -1.392 20 0 EAADHO C[NH+]1CCC(OCC(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001135959901 787325816 /nfs/dbraw/zinc/32/58/16/787325816.db2.gz VDNBSJXVSROODH-LBPRGKRZSA-N 1 3 326.397 -1.392 20 0 EAADHO COCCCNC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135960089 787326717 /nfs/dbraw/zinc/32/67/17/787326717.db2.gz YGQUUXCFINTVNG-UHFFFAOYSA-N 1 3 344.456 -1.044 20 0 EAADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963205 787325601 /nfs/dbraw/zinc/32/56/01/787325601.db2.gz AUSOIVUMBDHFAY-LLVKDONJSA-N 1 3 343.428 -1.353 20 0 EAADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963206 787326042 /nfs/dbraw/zinc/32/60/42/787326042.db2.gz AUSOIVUMBDHFAY-NSHDSACASA-N 1 3 343.428 -1.353 20 0 EAADHO C[NH+]1CCC(OCC(=O)NCCNCCNS(C)(=O)=O)CC1 ZINC001135963246 787325145 /nfs/dbraw/zinc/32/51/45/787325145.db2.gz CGUZCZZJHTYOOY-UHFFFAOYSA-N 1 3 336.458 -1.648 20 0 EAADHO C[C@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001135963635 787325203 /nfs/dbraw/zinc/32/52/03/787325203.db2.gz WYVRVBARQUCQIH-JTQLQIEISA-N 1 3 329.401 -1.614 20 0 EAADHO C[C@@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001135963636 787325857 /nfs/dbraw/zinc/32/58/57/787325857.db2.gz WYVRVBARQUCQIH-SNVBAGLBSA-N 1 3 329.401 -1.614 20 0 EAADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C(N)=O)C(N)=O)CC2)CC1 ZINC001141290916 793041650 /nfs/dbraw/zinc/04/16/50/793041650.db2.gz MDTDTQBYJWYYAM-UHFFFAOYSA-N 1 3 339.440 -1.362 20 0 EAADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001146709681 787515698 /nfs/dbraw/zinc/51/56/98/787515698.db2.gz AXLRAIQXBBCTMO-UHFFFAOYSA-N 1 3 341.456 -1.242 20 0 EAADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001146709681 787515693 /nfs/dbraw/zinc/51/56/93/787515693.db2.gz AXLRAIQXBBCTMO-UHFFFAOYSA-N 1 3 341.456 -1.242 20 0 EAADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 ZINC001146710281 787516490 /nfs/dbraw/zinc/51/64/90/787516490.db2.gz JJTMRVLCTXZTBV-UHFFFAOYSA-N 1 3 341.456 -1.275 20 0 EAADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 ZINC001146710281 787516483 /nfs/dbraw/zinc/51/64/83/787516483.db2.gz JJTMRVLCTXZTBV-UHFFFAOYSA-N 1 3 341.456 -1.275 20 0 EAADHO CC[N@@H+](C)CCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001146711911 787517121 /nfs/dbraw/zinc/51/71/21/787517121.db2.gz YPWNMSRVIABHAF-UHFFFAOYSA-N 1 3 325.413 -1.368 20 0 EAADHO CC[N@H+](C)CCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001146711911 787517114 /nfs/dbraw/zinc/51/71/14/787517114.db2.gz YPWNMSRVIABHAF-UHFFFAOYSA-N 1 3 325.413 -1.368 20 0 EAADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001146712030 787516038 /nfs/dbraw/zinc/51/60/38/787516038.db2.gz ZSTPPYQIBUONPX-CYBMUJFWSA-N 1 3 341.456 -1.242 20 0 EAADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001146712030 787516030 /nfs/dbraw/zinc/51/60/30/787516030.db2.gz ZSTPPYQIBUONPX-CYBMUJFWSA-N 1 3 341.456 -1.242 20 0 EAADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001146712031 787516830 /nfs/dbraw/zinc/51/68/30/787516830.db2.gz ZSTPPYQIBUONPX-ZDUSSCGKSA-N 1 3 341.456 -1.242 20 0 EAADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001146712031 787516821 /nfs/dbraw/zinc/51/68/21/787516821.db2.gz ZSTPPYQIBUONPX-ZDUSSCGKSA-N 1 3 341.456 -1.242 20 0 EAADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)N[C@H](C)COC ZINC001146746416 787515965 /nfs/dbraw/zinc/51/59/65/787515965.db2.gz GSFQKJMORXMBSP-GFCCVEGCSA-N 1 3 345.444 -1.105 20 0 EAADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)N[C@H](C)COC ZINC001146746416 787515953 /nfs/dbraw/zinc/51/59/53/787515953.db2.gz GSFQKJMORXMBSP-GFCCVEGCSA-N 1 3 345.444 -1.105 20 0 EAADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)N[C@@H](C)COC ZINC001146746417 787516431 /nfs/dbraw/zinc/51/64/31/787516431.db2.gz GSFQKJMORXMBSP-LBPRGKRZSA-N 1 3 345.444 -1.105 20 0 EAADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)N[C@@H](C)COC ZINC001146746417 787516424 /nfs/dbraw/zinc/51/64/24/787516424.db2.gz GSFQKJMORXMBSP-LBPRGKRZSA-N 1 3 345.444 -1.105 20 0 EAADHO CCCNC(=O)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147841290 787566674 /nfs/dbraw/zinc/56/66/74/787566674.db2.gz DCJLIAPGEBBXIW-UHFFFAOYSA-N 1 3 331.417 -1.494 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001147842138 787565509 /nfs/dbraw/zinc/56/55/09/787565509.db2.gz OQEXMYCEMUKYCO-UHFFFAOYSA-N 1 3 337.424 -1.018 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001147842330 787566355 /nfs/dbraw/zinc/56/63/55/787566355.db2.gz SAPAZXVXRDWDTL-UHFFFAOYSA-N 1 3 328.335 -1.051 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001147842340 787566588 /nfs/dbraw/zinc/56/65/88/787566588.db2.gz STLSPMMMAAZOOC-UHFFFAOYSA-N 1 3 330.429 -1.434 20 0 EAADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147842381 787566611 /nfs/dbraw/zinc/56/66/11/787566611.db2.gz VMXBWKKZSLJRPU-LLVKDONJSA-N 1 3 331.417 -1.495 20 0 EAADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147842382 787566954 /nfs/dbraw/zinc/56/69/54/787566954.db2.gz VMXBWKKZSLJRPU-NSHDSACASA-N 1 3 331.417 -1.495 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001147848206 787567451 /nfs/dbraw/zinc/56/74/51/787567451.db2.gz IJMOLICCJLJZKT-CYBMUJFWSA-N 1 3 330.429 -1.434 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001147848208 787568343 /nfs/dbraw/zinc/56/83/43/787568343.db2.gz IJMOLICCJLJZKT-ZDUSSCGKSA-N 1 3 330.429 -1.434 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001147848234 787567799 /nfs/dbraw/zinc/56/77/99/787567799.db2.gz JASGHZRWUMWIKY-UHFFFAOYSA-N 1 3 329.401 -1.741 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001147848309 787568249 /nfs/dbraw/zinc/56/82/49/787568249.db2.gz KHWXKHVAMGQWDM-UHFFFAOYSA-N 1 3 336.458 -1.694 20 0 EAADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001147891508 787568012 /nfs/dbraw/zinc/56/80/12/787568012.db2.gz AQJWAIJZSKSXPM-LLVKDONJSA-N 1 3 343.428 -1.353 20 0 EAADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001147891509 787567851 /nfs/dbraw/zinc/56/78/51/787567851.db2.gz AQJWAIJZSKSXPM-NSHDSACASA-N 1 3 343.428 -1.353 20 0 EAADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147891931 787567590 /nfs/dbraw/zinc/56/75/90/787567590.db2.gz FHMYSUAAGIDHKF-UHFFFAOYSA-N 1 3 345.444 -1.248 20 0 EAADHO C[C@@H]1CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)CCO1 ZINC001147892048 787568456 /nfs/dbraw/zinc/56/84/56/787568456.db2.gz HJGAFWAIKKOVNU-CYBMUJFWSA-N 1 3 330.429 -1.482 20 0 EAADHO C[C@H]1CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)CCO1 ZINC001147892049 787567936 /nfs/dbraw/zinc/56/79/36/787567936.db2.gz HJGAFWAIKKOVNU-ZDUSSCGKSA-N 1 3 330.429 -1.482 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001147892562 787567783 /nfs/dbraw/zinc/56/77/83/787567783.db2.gz JZIXWGTVDYVOPA-CYBMUJFWSA-N 1 3 330.429 -1.577 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001147892563 787567667 /nfs/dbraw/zinc/56/76/67/787567667.db2.gz JZIXWGTVDYVOPA-ZDUSSCGKSA-N 1 3 330.429 -1.577 20 0 EAADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001147892567 787568815 /nfs/dbraw/zinc/56/88/15/787568815.db2.gz KCPKSCKXGQADEJ-KBPBESRZSA-N 1 3 344.456 -1.046 20 0 EAADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001147892568 787567730 /nfs/dbraw/zinc/56/77/30/787567730.db2.gz KCPKSCKXGQADEJ-KGLIPLIRSA-N 1 3 344.456 -1.046 20 0 EAADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001147892569 787568167 /nfs/dbraw/zinc/56/81/67/787568167.db2.gz KCPKSCKXGQADEJ-UONOGXRCSA-N 1 3 344.456 -1.046 20 0 EAADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001147892570 787568573 /nfs/dbraw/zinc/56/85/73/787568573.db2.gz KCPKSCKXGQADEJ-ZIAGYGMSSA-N 1 3 344.456 -1.046 20 0 EAADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147892600 787568606 /nfs/dbraw/zinc/56/86/06/787568606.db2.gz KPDORDKXLUKNEP-CYBMUJFWSA-N 1 3 332.445 -1.188 20 0 EAADHO COCCCNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147892602 787568069 /nfs/dbraw/zinc/56/80/69/787568069.db2.gz KPDORDKXLUKNEP-ZDUSSCGKSA-N 1 3 332.445 -1.188 20 0 EAADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893015 787567573 /nfs/dbraw/zinc/56/75/73/787567573.db2.gz NZIUSPUMUSXBBC-GFCCVEGCSA-N 1 3 345.444 -1.107 20 0 EAADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893016 787568761 /nfs/dbraw/zinc/56/87/61/787568761.db2.gz NZIUSPUMUSXBBC-LBPRGKRZSA-N 1 3 345.444 -1.107 20 0 EAADHO Cn1c(CNCCNC(=O)COCC[NH+](C)C)cc(=O)n(C)c1=O ZINC001147893436 787568128 /nfs/dbraw/zinc/56/81/28/787568128.db2.gz QGOYIAQEVXBKQS-UHFFFAOYSA-N 1 3 341.412 -2.132 20 0 EAADHO C[C@H]1CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C[C@H](C)O1 ZINC001147893465 787568591 /nfs/dbraw/zinc/56/85/91/787568591.db2.gz QVMLKFBOZDXZMI-KBPBESRZSA-N 1 3 344.456 -1.094 20 0 EAADHO C[C@@H]1CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C[C@H](C)O1 ZINC001147893466 787568435 /nfs/dbraw/zinc/56/84/35/787568435.db2.gz QVMLKFBOZDXZMI-OKILXGFUSA-N 1 3 344.456 -1.094 20 0 EAADHO C[C@@H]1CN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C[C@@H](C)O1 ZINC001147893468 787568727 /nfs/dbraw/zinc/56/87/27/787568727.db2.gz QVMLKFBOZDXZMI-ZIAGYGMSSA-N 1 3 344.456 -1.094 20 0 EAADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001147894002 787567421 /nfs/dbraw/zinc/56/74/21/787567421.db2.gz XJHHNHZWSPEDEB-UHFFFAOYSA-N 1 3 345.444 -1.105 20 0 EAADHO CCCCNC(=O)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147894153 787568491 /nfs/dbraw/zinc/56/84/91/787568491.db2.gz ZMTQKUGNUGVBFX-UHFFFAOYSA-N 1 3 345.444 -1.104 20 0 EAADHO Cn1c(CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899958 787570956 /nfs/dbraw/zinc/57/09/56/787570956.db2.gz DXRFGCCHJNEKII-GFCCVEGCSA-N 1 3 337.424 -1.368 20 0 EAADHO Cn1c(CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899958 787570953 /nfs/dbraw/zinc/57/09/53/787570953.db2.gz DXRFGCCHJNEKII-GFCCVEGCSA-N 1 3 337.424 -1.368 20 0 EAADHO Cn1c(CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899959 787570935 /nfs/dbraw/zinc/57/09/35/787570935.db2.gz DXRFGCCHJNEKII-LBPRGKRZSA-N 1 3 337.424 -1.368 20 0 EAADHO Cn1c(CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899959 787570928 /nfs/dbraw/zinc/57/09/28/787570928.db2.gz DXRFGCCHJNEKII-LBPRGKRZSA-N 1 3 337.424 -1.368 20 0 EAADHO O=C(NCCNCCN1CCCS1(=O)=O)C12CC[NH+](CC1)C2 ZINC001147977041 787569137 /nfs/dbraw/zinc/56/91/37/787569137.db2.gz GYQKERHYPFWJDV-UHFFFAOYSA-N 1 3 330.454 -1.177 20 0 EAADHO Cn1c(CNCCNC(=O)C23CC[NH+](CC2)C3)cc(=O)n(C)c1=O ZINC001147999858 787571098 /nfs/dbraw/zinc/57/10/98/787571098.db2.gz GFVMIIWXYVXDPZ-UHFFFAOYSA-N 1 3 335.408 -1.614 20 0 EAADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001148642864 787594655 /nfs/dbraw/zinc/59/46/55/787594655.db2.gz ONGDHKJCNJHFAM-GFCCVEGCSA-N 1 3 328.413 -1.456 20 0 EAADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001148642865 787594252 /nfs/dbraw/zinc/59/42/52/787594252.db2.gz ONGDHKJCNJHFAM-LBPRGKRZSA-N 1 3 328.413 -1.456 20 0 EAADHO CCCN(C)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001148656334 787593696 /nfs/dbraw/zinc/59/36/96/787593696.db2.gz ZHQBVIHGWWGCHI-UHFFFAOYSA-N 1 3 325.413 -1.368 20 0 EAADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587741 793175306 /nfs/dbraw/zinc/17/53/06/793175306.db2.gz JONQTBSWSRBCQP-CABCVRRESA-N 1 3 347.456 -1.221 20 0 EAADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587742 793176007 /nfs/dbraw/zinc/17/60/07/793176007.db2.gz JONQTBSWSRBCQP-GJZGRUSLSA-N 1 3 347.456 -1.221 20 0 EAADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587743 793175616 /nfs/dbraw/zinc/17/56/16/793175616.db2.gz JONQTBSWSRBCQP-HUUCEWRRSA-N 1 3 347.456 -1.221 20 0 EAADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587744 793176252 /nfs/dbraw/zinc/17/62/52/793176252.db2.gz JONQTBSWSRBCQP-LSDHHAIUSA-N 1 3 347.456 -1.221 20 0 EAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001151064667 793197302 /nfs/dbraw/zinc/19/73/02/793197302.db2.gz CXFNNDKHQLLCSR-AWEZNQCLSA-N 1 3 339.440 -1.665 20 0 EAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151064667 793197298 /nfs/dbraw/zinc/19/72/98/793197298.db2.gz CXFNNDKHQLLCSR-AWEZNQCLSA-N 1 3 339.440 -1.665 20 0 EAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001151064668 793196332 /nfs/dbraw/zinc/19/63/32/793196332.db2.gz CXFNNDKHQLLCSR-CQSZACIVSA-N 1 3 339.440 -1.665 20 0 EAADHO CC(=O)N1CCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151064668 793196326 /nfs/dbraw/zinc/19/63/26/793196326.db2.gz CXFNNDKHQLLCSR-CQSZACIVSA-N 1 3 339.440 -1.665 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066645 789671375 /nfs/dbraw/zinc/67/13/75/789671375.db2.gz WPNCDYJQLYJDSF-CYBMUJFWSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066645 789671368 /nfs/dbraw/zinc/67/13/68/789671368.db2.gz WPNCDYJQLYJDSF-CYBMUJFWSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066646 789670873 /nfs/dbraw/zinc/67/08/73/789670873.db2.gz WPNCDYJQLYJDSF-ZDUSSCGKSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066646 789670866 /nfs/dbraw/zinc/67/08/66/789670866.db2.gz WPNCDYJQLYJDSF-ZDUSSCGKSA-N 1 3 339.440 -1.632 20 0 EAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072916 793197482 /nfs/dbraw/zinc/19/74/82/793197482.db2.gz AFPVBABRQKREBM-NEPJUHHUSA-N 1 3 343.428 -1.495 20 0 EAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072916 793197473 /nfs/dbraw/zinc/19/74/73/793197473.db2.gz AFPVBABRQKREBM-NEPJUHHUSA-N 1 3 343.428 -1.495 20 0 EAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072917 793197404 /nfs/dbraw/zinc/19/74/04/793197404.db2.gz AFPVBABRQKREBM-NWDGAFQWSA-N 1 3 343.428 -1.495 20 0 EAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072917 793197395 /nfs/dbraw/zinc/19/73/95/793197395.db2.gz AFPVBABRQKREBM-NWDGAFQWSA-N 1 3 343.428 -1.495 20 0 EAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072918 793197115 /nfs/dbraw/zinc/19/71/15/793197115.db2.gz AFPVBABRQKREBM-RYUDHWBXSA-N 1 3 343.428 -1.495 20 0 EAADHO COC[C@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072918 793197109 /nfs/dbraw/zinc/19/71/09/793197109.db2.gz AFPVBABRQKREBM-RYUDHWBXSA-N 1 3 343.428 -1.495 20 0 EAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072919 793197286 /nfs/dbraw/zinc/19/72/86/793197286.db2.gz AFPVBABRQKREBM-VXGBXAGGSA-N 1 3 343.428 -1.495 20 0 EAADHO COC[C@@H](C)NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072919 793197282 /nfs/dbraw/zinc/19/72/82/793197282.db2.gz AFPVBABRQKREBM-VXGBXAGGSA-N 1 3 343.428 -1.495 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074100 793197612 /nfs/dbraw/zinc/19/76/12/793197612.db2.gz VEYGIPZUXWXXJB-CHWSQXEVSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074100 793197608 /nfs/dbraw/zinc/19/76/08/793197608.db2.gz VEYGIPZUXWXXJB-CHWSQXEVSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074101 793196771 /nfs/dbraw/zinc/19/67/71/793196771.db2.gz VEYGIPZUXWXXJB-OLZOCXBDSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074101 793196764 /nfs/dbraw/zinc/19/67/64/793196764.db2.gz VEYGIPZUXWXXJB-OLZOCXBDSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074102 793196661 /nfs/dbraw/zinc/19/66/61/793196661.db2.gz VEYGIPZUXWXXJB-QWHCGFSZSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074102 793196658 /nfs/dbraw/zinc/19/66/58/793196658.db2.gz VEYGIPZUXWXXJB-QWHCGFSZSA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074103 793196474 /nfs/dbraw/zinc/19/64/74/793196474.db2.gz VEYGIPZUXWXXJB-STQMWFEESA-N 1 3 339.440 -1.632 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074103 793196468 /nfs/dbraw/zinc/19/64/68/793196468.db2.gz VEYGIPZUXWXXJB-STQMWFEESA-N 1 3 339.440 -1.632 20 0 EAADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001152432515 793235007 /nfs/dbraw/zinc/23/50/07/793235007.db2.gz IZTIGBWWHNCVTH-GFCCVEGCSA-N 1 3 328.413 -1.458 20 0 EAADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001152432516 791206409 /nfs/dbraw/zinc/20/64/09/791206409.db2.gz IZTIGBWWHNCVTH-LBPRGKRZSA-N 1 3 328.413 -1.458 20 0 EAADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155789489 793302667 /nfs/dbraw/zinc/30/26/67/793302667.db2.gz DDJZGWHIVFFIRA-GFCCVEGCSA-N 1 3 325.413 -1.865 20 0 EAADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155789494 793303760 /nfs/dbraw/zinc/30/37/60/793303760.db2.gz DDJZGWHIVFFIRA-LBPRGKRZSA-N 1 3 325.413 -1.865 20 0 EAADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001155802901 793303112 /nfs/dbraw/zinc/30/31/12/793303112.db2.gz QAYDMEMUWBTCFW-CHWSQXEVSA-N 1 3 341.456 -1.231 20 0 EAADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001155802902 793302476 /nfs/dbraw/zinc/30/24/76/793302476.db2.gz QAYDMEMUWBTCFW-OLZOCXBDSA-N 1 3 341.456 -1.231 20 0 EAADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001155802903 793302323 /nfs/dbraw/zinc/30/23/23/793302323.db2.gz QAYDMEMUWBTCFW-QWHCGFSZSA-N 1 3 341.456 -1.231 20 0 EAADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001155802904 793303182 /nfs/dbraw/zinc/30/31/82/793303182.db2.gz QAYDMEMUWBTCFW-STQMWFEESA-N 1 3 341.456 -1.231 20 0 EAADHO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001157303531 793328988 /nfs/dbraw/zinc/32/89/88/793328988.db2.gz IXYCVPCVHVXXSU-KBPBESRZSA-N 1 3 349.435 -1.228 20 0 EAADHO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)CCC[NH3+] ZINC001157303575 793330138 /nfs/dbraw/zinc/33/01/38/793330138.db2.gz KDLJUHJKRSAHHF-OLZOCXBDSA-N 1 3 335.408 -1.618 20 0 EAADHO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CCC[NH3+] ZINC001157303576 793329295 /nfs/dbraw/zinc/32/92/95/793329295.db2.gz KDLJUHJKRSAHHF-STQMWFEESA-N 1 3 335.408 -1.618 20 0 EAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001157323607 793331409 /nfs/dbraw/zinc/33/14/09/793331409.db2.gz LDFPTWLCOVLTKW-MNOVXSKESA-N 1 3 346.453 -1.877 20 0 EAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001157323608 793331828 /nfs/dbraw/zinc/33/18/28/793331828.db2.gz LDFPTWLCOVLTKW-QWRGUYRKSA-N 1 3 346.453 -1.877 20 0 EAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](N)CC(C)C ZINC001157324519 793331848 /nfs/dbraw/zinc/33/18/48/793331848.db2.gz ZHHWFKXDMJWKCU-RYUDHWBXSA-N 1 3 329.445 -1.164 20 0 EAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1CCCC[C@H](N)C1=O ZINC001157334971 793331193 /nfs/dbraw/zinc/33/11/93/793331193.db2.gz BIRDRKKPXMULRT-RYUDHWBXSA-N 1 3 327.429 -1.314 20 0 EAADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001157337027 793330732 /nfs/dbraw/zinc/33/07/32/793330732.db2.gz SQBMRDRBOMFTAF-SRVKXCTJSA-N 1 3 327.429 -1.316 20 0 EAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157337511 793331432 /nfs/dbraw/zinc/33/14/32/793331432.db2.gz WUNQSIXNFAISDR-GVXVVHGQSA-N 1 3 329.445 -1.164 20 0 EAADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001157449368 793334341 /nfs/dbraw/zinc/33/43/41/793334341.db2.gz ZSYQAPQGKHICEE-GFCCVEGCSA-N 1 3 340.424 -1.410 20 0 EAADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001157449369 793334775 /nfs/dbraw/zinc/33/47/75/793334775.db2.gz ZSYQAPQGKHICEE-LBPRGKRZSA-N 1 3 340.424 -1.410 20 0 EAADHO CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1=O ZINC001157485895 793336667 /nfs/dbraw/zinc/33/66/67/793336667.db2.gz PVHJNMIZOOHLJV-STQMWFEESA-N 1 3 339.440 -1.266 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496383 793336010 /nfs/dbraw/zinc/33/60/10/793336010.db2.gz DAOXDZIMZWRAFQ-NWDGAFQWSA-N 1 3 330.454 -1.145 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496384 793335364 /nfs/dbraw/zinc/33/53/64/793335364.db2.gz DAOXDZIMZWRAFQ-RYUDHWBXSA-N 1 3 330.454 -1.145 20 0 EAADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716580 793338687 /nfs/dbraw/zinc/33/86/87/793338687.db2.gz PNRJTRXWWSONCK-NEPJUHHUSA-N 1 3 335.412 -1.629 20 0 EAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716583 793339292 /nfs/dbraw/zinc/33/92/92/793339292.db2.gz PNRJTRXWWSONCK-NWDGAFQWSA-N 1 3 335.412 -1.629 20 0 EAADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716585 793339844 /nfs/dbraw/zinc/33/98/44/793339844.db2.gz PNRJTRXWWSONCK-RYUDHWBXSA-N 1 3 335.412 -1.629 20 0 EAADHO CN(C[C@H]1CNCCO1)C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157716588 793339307 /nfs/dbraw/zinc/33/93/07/793339307.db2.gz PNRJTRXWWSONCK-VXGBXAGGSA-N 1 3 335.412 -1.629 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)C[C@@H]1C[NH2+]CCO1)C(N)=O ZINC001157720233 793340303 /nfs/dbraw/zinc/34/03/03/793340303.db2.gz DBUIBHXBSJCDMW-GARJFASQSA-N 1 3 329.401 -2.469 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)C[C@H]1C[NH2+]CCO1)C(N)=O ZINC001157720234 793339329 /nfs/dbraw/zinc/33/93/29/793339329.db2.gz DBUIBHXBSJCDMW-HBNTYKKESA-N 1 3 329.401 -2.469 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(C)C[C@@H]2C[NH2+]CCO2)COC1(C)C ZINC001157721375 793338893 /nfs/dbraw/zinc/33/88/93/793338893.db2.gz XFTHWHDNVMWEED-SRVKXCTJSA-N 1 3 328.413 -1.256 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(C)C[C@H]2C[NH2+]CCO2)COC1(C)C ZINC001157721377 793339514 /nfs/dbraw/zinc/33/95/14/793339514.db2.gz XFTHWHDNVMWEED-TUAOUCFPSA-N 1 3 328.413 -1.256 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157756316 793339410 /nfs/dbraw/zinc/33/94/10/793339410.db2.gz XAVDSSKKOCESDW-BHDSKKPTSA-N 1 3 331.392 -1.627 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157756317 793338636 /nfs/dbraw/zinc/33/86/36/793338636.db2.gz XAVDSSKKOCESDW-PKFCDNJMSA-N 1 3 331.392 -1.627 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C)C(N)=O ZINC001157840924 793340321 /nfs/dbraw/zinc/34/03/21/793340321.db2.gz DEJMHOGTXRIFST-FIQHERPVSA-N 1 3 327.429 -1.330 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@H](C[NH3+])[C@H]1C)C(N)=O ZINC001157840925 793340013 /nfs/dbraw/zinc/34/00/13/793340013.db2.gz DEJMHOGTXRIFST-IRCOFANPSA-N 1 3 327.429 -1.330 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@H](C[NH3+])[C@@H]1C)C(N)=O ZINC001157840926 793340739 /nfs/dbraw/zinc/34/07/39/793340739.db2.gz DEJMHOGTXRIFST-NNYUYHANSA-N 1 3 327.429 -1.330 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@H](C[NH3+])[C@H]1C)C(N)=O ZINC001157840927 793340873 /nfs/dbraw/zinc/34/08/73/793340873.db2.gz DEJMHOGTXRIFST-WHOHXGKFSA-N 1 3 327.429 -1.330 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCNC(=O)C1 ZINC001157891160 793341551 /nfs/dbraw/zinc/34/15/51/793341551.db2.gz VFYUVELWPSROCC-STQMWFEESA-N 1 3 339.440 -1.218 20 0 EAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070141 793349264 /nfs/dbraw/zinc/34/92/64/793349264.db2.gz BSMQNPDQYNZWRE-GFCCVEGCSA-N 1 3 343.449 -1.256 20 0 EAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070142 793350170 /nfs/dbraw/zinc/35/01/70/793350170.db2.gz BSMQNPDQYNZWRE-LBPRGKRZSA-N 1 3 343.449 -1.256 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077687 793350044 /nfs/dbraw/zinc/35/00/44/793350044.db2.gz WCBUCOKXKRPKSR-QWRGUYRKSA-N 1 3 341.412 -2.325 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC([NH3+])C2)CC1)C(N)=O ZINC001158092721 793349207 /nfs/dbraw/zinc/34/92/07/793349207.db2.gz PQMSAFKRESSTAF-CMPLNLGQSA-N 1 3 339.440 -1.186 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158092722 793349734 /nfs/dbraw/zinc/34/97/34/793349734.db2.gz PRVUDHUDUCNZFI-ONGXEEELSA-N 1 3 325.413 -1.576 20 0 EAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093860 793349406 /nfs/dbraw/zinc/34/94/06/793349406.db2.gz XURHSANCCZZYEU-GWCFXTLKSA-N 1 3 342.421 -2.546 20 0 EAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093867 793349155 /nfs/dbraw/zinc/34/91/55/793349155.db2.gz XURHSANCCZZYEU-GXFFZTMASA-N 1 3 342.421 -2.546 20 0 EAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093871 793348992 /nfs/dbraw/zinc/34/89/92/793348992.db2.gz XURHSANCCZZYEU-MFKMUULPSA-N 1 3 342.421 -2.546 20 0 EAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093875 793349937 /nfs/dbraw/zinc/34/99/37/793349937.db2.gz XURHSANCCZZYEU-ZWNOBZJWSA-N 1 3 342.421 -2.546 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100714 793349977 /nfs/dbraw/zinc/34/99/77/793349977.db2.gz AYUYTQOYNHDEEX-FZNYLWTLSA-N 1 3 340.384 -3.616 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100715 793348940 /nfs/dbraw/zinc/34/89/40/793348940.db2.gz AYUYTQOYNHDEEX-UINNMSKDSA-N 1 3 340.384 -3.616 20 0 EAADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101040 793348920 /nfs/dbraw/zinc/34/89/20/793348920.db2.gz GLIMYMMNESDZGU-SWLSCSKDSA-N 1 3 325.413 -1.689 20 0 EAADHO CC(=O)NCCCC[C@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101041 793349429 /nfs/dbraw/zinc/34/94/29/793349429.db2.gz GLIMYMMNESDZGU-WFASDCNBSA-N 1 3 325.413 -1.689 20 0 EAADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101062 793349662 /nfs/dbraw/zinc/34/96/62/793349662.db2.gz GUIUERXHLQVDCA-NHYWBVRUSA-N 1 3 325.413 -1.834 20 0 EAADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101068 793350012 /nfs/dbraw/zinc/35/00/12/793350012.db2.gz GUIUERXHLQVDCA-XHDPSFHLSA-N 1 3 325.413 -1.834 20 0 EAADHO NC1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CCC2(CC1)OCCO2 ZINC001158101646 793349142 /nfs/dbraw/zinc/34/91/42/793349142.db2.gz KQCGYDSQDGIHMD-AWEZNQCLSA-N 1 3 338.408 -1.309 20 0 EAADHO NC1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CCC2(CC1)OCCO2 ZINC001158101647 793350293 /nfs/dbraw/zinc/35/02/93/793350293.db2.gz KQCGYDSQDGIHMD-CQSZACIVSA-N 1 3 338.408 -1.309 20 0 EAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101858 793349696 /nfs/dbraw/zinc/34/96/96/793349696.db2.gz NEYHBIWWRCZEKW-MKBNYLNASA-N 1 3 339.440 -1.445 20 0 EAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101859 793349827 /nfs/dbraw/zinc/34/98/27/793349827.db2.gz NEYHBIWWRCZEKW-MQIPJXDCSA-N 1 3 339.440 -1.445 20 0 EAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102975 793350066 /nfs/dbraw/zinc/35/00/66/793350066.db2.gz ZGVUXKJFFNBTAK-VZJVUDMVSA-N 1 3 325.413 -1.834 20 0 EAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102976 793348888 /nfs/dbraw/zinc/34/88/88/793348888.db2.gz ZGVUXKJFFNBTAK-XEGUGMAKSA-N 1 3 325.413 -1.834 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109778 793349527 /nfs/dbraw/zinc/34/95/27/793349527.db2.gz CHHYLPNJUPYCSW-BMIGLBTASA-N 1 3 338.412 -2.300 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158109779 793349645 /nfs/dbraw/zinc/34/96/45/793349645.db2.gz CHHYLPNJUPYCSW-BONVTDFDSA-N 1 3 338.412 -2.300 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109780 793348810 /nfs/dbraw/zinc/34/88/10/793348810.db2.gz CHHYLPNJUPYCSW-MEBBXXQBSA-N 1 3 338.412 -2.300 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158109781 793349041 /nfs/dbraw/zinc/34/90/41/793349041.db2.gz CHHYLPNJUPYCSW-ZUZCIYMTSA-N 1 3 338.412 -2.300 20 0 EAADHO O=C([C@H]1COC2(CNC2)CN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110305 793349189 /nfs/dbraw/zinc/34/91/89/793349189.db2.gz GEBQYDHKIAAVJC-BDJLRTHQSA-N 1 3 335.408 -2.745 20 0 EAADHO O=C([C@H]1COC2(CNC2)CN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110307 793348860 /nfs/dbraw/zinc/34/88/60/793348860.db2.gz GEBQYDHKIAAVJC-BZNIZROVSA-N 1 3 335.408 -2.745 20 0 EAADHO O=C([C@@H]1COC2(CNC2)CN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110308 793349902 /nfs/dbraw/zinc/34/99/02/793349902.db2.gz GEBQYDHKIAAVJC-MEDUHNTESA-N 1 3 335.408 -2.745 20 0 EAADHO O=C([C@@H]1COC2(CNC2)CN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110309 793349551 /nfs/dbraw/zinc/34/95/51/793349551.db2.gz GEBQYDHKIAAVJC-ZBEGNZNMSA-N 1 3 335.408 -2.745 20 0 EAADHO Cn1cncc1C[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112534 793350142 /nfs/dbraw/zinc/35/01/42/793350142.db2.gz ZEERUBKINQVMON-BLLLJJGKSA-N 1 3 332.408 -1.772 20 0 EAADHO Cn1cncc1C[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112537 793349603 /nfs/dbraw/zinc/34/96/03/793349603.db2.gz ZEERUBKINQVMON-LRDDRELGSA-N 1 3 332.408 -1.772 20 0 EAADHO O=C([C@@H]1CNCc2ccnn2C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112538 793350025 /nfs/dbraw/zinc/35/00/25/793350025.db2.gz ZFGRFDKGFUQWLW-PXAZEXFGSA-N 1 3 344.419 -1.459 20 0 EAADHO O=C([C@H]1CNCc2ccnn2C1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112540 793350185 /nfs/dbraw/zinc/35/01/85/793350185.db2.gz ZFGRFDKGFUQWLW-SJCJKPOMSA-N 1 3 344.419 -1.459 20 0 EAADHO O=C([C@@H]1CNCc2ccnn2C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112542 793349714 /nfs/dbraw/zinc/34/97/14/793349714.db2.gz ZFGRFDKGFUQWLW-SJKOYZFVSA-N 1 3 344.419 -1.459 20 0 EAADHO O=C([C@H]1CNCc2ccnn2C1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112543 793351084 /nfs/dbraw/zinc/35/10/84/793351084.db2.gz ZFGRFDKGFUQWLW-YVEFUNNKSA-N 1 3 344.419 -1.459 20 0 EAADHO N[C@H]1CCCCN(CC(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1=O ZINC001158119915 793351590 /nfs/dbraw/zinc/35/15/90/793351590.db2.gz JGZFDZODZCOXMR-SJCJKPOMSA-N 1 3 349.435 -1.736 20 0 EAADHO N[C@H]1CCCCN(CC(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1=O ZINC001158119916 793350511 /nfs/dbraw/zinc/35/05/11/793350511.db2.gz JGZFDZODZCOXMR-YVEFUNNKSA-N 1 3 349.435 -1.736 20 0 EAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120155 793351728 /nfs/dbraw/zinc/35/17/28/793351728.db2.gz JUZUSTCJGBUEPP-IEMGUGKBSA-N 1 3 328.438 -1.980 20 0 EAADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120156 793351690 /nfs/dbraw/zinc/35/16/90/793351690.db2.gz JUZUSTCJGBUEPP-LXGJKDISSA-N 1 3 328.438 -1.980 20 0 EAADHO C[S@](=O)CC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120157 793350757 /nfs/dbraw/zinc/35/07/57/793350757.db2.gz JUZUSTCJGBUEPP-OIAWAGMISA-N 1 3 328.438 -1.980 20 0 EAADHO C[S@](=O)CC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120158 793351002 /nfs/dbraw/zinc/35/10/02/793351002.db2.gz JUZUSTCJGBUEPP-QGRRJVMCSA-N 1 3 328.438 -1.980 20 0 EAADHO O=C(c1[nH]nc2c1CNCC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120579 793350784 /nfs/dbraw/zinc/35/07/84/793350784.db2.gz RASVLUONKQWUTL-INIZCTEOSA-N 1 3 330.392 -1.393 20 0 EAADHO O=C(c1[nH]nc2c1CNCC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120581 793351849 /nfs/dbraw/zinc/35/18/49/793351849.db2.gz RASVLUONKQWUTL-MRXNPFEDSA-N 1 3 330.392 -1.393 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@]12CCC[NH2+]C2)C(N)=O ZINC001158160151 793352802 /nfs/dbraw/zinc/35/28/02/793352802.db2.gz INROCIKBZJJPCV-HWWQOWPSSA-N 1 3 339.440 -1.172 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@]12CCC[NH2+]C2)C(N)=O ZINC001158160153 793353058 /nfs/dbraw/zinc/35/30/58/793353058.db2.gz INROCIKBZJJPCV-OZVIIMIRSA-N 1 3 339.440 -1.172 20 0 EAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167499 793353071 /nfs/dbraw/zinc/35/30/71/793353071.db2.gz KPTOMTPGCMMOLS-GRYCIOLGSA-N 1 3 329.422 -1.790 20 0 EAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167502 793352080 /nfs/dbraw/zinc/35/20/80/793352080.db2.gz KPTOMTPGCMMOLS-IJLUTSLNSA-N 1 3 329.422 -1.790 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CCC[NH2+]2)CC1)C(N)=O ZINC001158169223 793352379 /nfs/dbraw/zinc/35/23/79/793352379.db2.gz NJXXLPQDRHUZJK-NWDGAFQWSA-N 1 3 339.440 -1.172 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169371 793353284 /nfs/dbraw/zinc/35/32/84/793353284.db2.gz PTXIEXKQAIPOSM-QWRGUYRKSA-N 1 3 325.413 -1.562 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C(N)=O ZINC001158178829 793354119 /nfs/dbraw/zinc/35/41/19/793354119.db2.gz DSVFOCQKCSLOLZ-IRCOFANPSA-N 1 3 341.412 -2.469 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)COC1(C)C ZINC001158179301 793353551 /nfs/dbraw/zinc/35/35/51/793353551.db2.gz JOKGLVJIINPCFR-QNWHQSFQSA-N 1 3 340.424 -1.256 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179358 793353883 /nfs/dbraw/zinc/35/38/83/793353883.db2.gz KWXGPDHCNVXWSN-ZRUFSTJUSA-N 1 3 327.385 -2.859 20 0 EAADHO COC(=O)CC[C@@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260064 793354017 /nfs/dbraw/zinc/35/40/17/793354017.db2.gz CBDWBKXDOLTYMM-LLVKDONJSA-N 1 3 336.396 -1.021 20 0 EAADHO COC(=O)CC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260065 793353870 /nfs/dbraw/zinc/35/38/70/793353870.db2.gz CBDWBKXDOLTYMM-NSHDSACASA-N 1 3 336.396 -1.021 20 0 EAADHO N[C@H](Cc1cnc[nH]1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261164 793354594 /nfs/dbraw/zinc/35/45/94/793354594.db2.gz LIULKWBPTCARSX-GFCCVEGCSA-N 1 3 330.396 -1.008 20 0 EAADHO N[C@H](Cc1c[nH]cn1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261164 793354585 /nfs/dbraw/zinc/35/45/85/793354585.db2.gz LIULKWBPTCARSX-GFCCVEGCSA-N 1 3 330.396 -1.008 20 0 EAADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261165 793353492 /nfs/dbraw/zinc/35/34/92/793353492.db2.gz LIULKWBPTCARSX-LBPRGKRZSA-N 1 3 330.396 -1.008 20 0 EAADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261165 793353482 /nfs/dbraw/zinc/35/34/82/793353482.db2.gz LIULKWBPTCARSX-LBPRGKRZSA-N 1 3 330.396 -1.008 20 0 EAADHO O=C([C@H]1COC2(CNC2)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262003 793354363 /nfs/dbraw/zinc/35/43/63/793354363.db2.gz PNVBACOKELLUQD-GFCCVEGCSA-N 1 3 347.423 -1.971 20 0 EAADHO O=C([C@@H]1COC2(CNC2)CN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262004 793353643 /nfs/dbraw/zinc/35/36/43/793353643.db2.gz PNVBACOKELLUQD-LBPRGKRZSA-N 1 3 347.423 -1.971 20 0 EAADHO C[S@@](=O)CC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276842 793355606 /nfs/dbraw/zinc/35/56/06/793355606.db2.gz DYRXDHRHSZPVDP-BSNNYGBQSA-N 1 3 340.453 -1.205 20 0 EAADHO C[S@](=O)CC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158276844 793356208 /nfs/dbraw/zinc/35/62/08/793356208.db2.gz DYRXDHRHSZPVDP-RULNZOCKSA-N 1 3 340.453 -1.205 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277899 793355894 /nfs/dbraw/zinc/35/58/94/793355894.db2.gz WWIIQWAQSRHUQW-QWRGUYRKSA-N 1 3 335.412 -1.449 20 0 EAADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CN)C2 ZINC001158386113 793357592 /nfs/dbraw/zinc/35/75/92/793357592.db2.gz YLCLBSURBPBIKR-AXTRIDKLSA-N 1 3 338.330 -1.184 20 0 EAADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CN)C2 ZINC001158386116 793356835 /nfs/dbraw/zinc/35/68/35/793356835.db2.gz YLCLBSURBPBIKR-KPXOXKRLSA-N 1 3 338.330 -1.184 20 0 EAADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CN)C2 ZINC001158386119 793356630 /nfs/dbraw/zinc/35/66/30/793356630.db2.gz YLCLBSURBPBIKR-UWJYBYFXSA-N 1 3 338.330 -1.184 20 0 EAADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](N)CN)C2 ZINC001158386121 793357516 /nfs/dbraw/zinc/35/75/16/793357516.db2.gz YLCLBSURBPBIKR-XXILOJSOSA-N 1 3 338.330 -1.184 20 0 EAADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001158429827 793358536 /nfs/dbraw/zinc/35/85/36/793358536.db2.gz BTXXWFGUGRMIEW-VIFPVBQESA-N 1 3 342.425 -1.184 20 0 EAADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001158430610 793359548 /nfs/dbraw/zinc/35/95/48/793359548.db2.gz KCOZWBZDJHZGEZ-JTQLQIEISA-N 1 3 334.380 -1.394 20 0 EAADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001158430611 793359018 /nfs/dbraw/zinc/35/90/18/793359018.db2.gz KCOZWBZDJHZGEZ-SNVBAGLBSA-N 1 3 334.380 -1.394 20 0 EAADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001158432364 793359842 /nfs/dbraw/zinc/35/98/42/793359842.db2.gz UZIXNMOPIHGZFH-BDJLRTHQSA-N 1 3 348.407 -1.004 20 0 EAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CCCNC(N)=O ZINC001158496211 793358817 /nfs/dbraw/zinc/35/88/17/793358817.db2.gz KYWSFYWIZZDGEG-FIQHERPVSA-N 1 3 341.412 -1.486 20 0 EAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](N)CCCNC(N)=O ZINC001158496212 793359433 /nfs/dbraw/zinc/35/94/33/793359433.db2.gz KYWSFYWIZZDGEG-WHOHXGKFSA-N 1 3 341.412 -1.486 20 0 EAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001158496613 793358478 /nfs/dbraw/zinc/35/84/78/793358478.db2.gz VHTWXXAQCOVTFG-QNWHQSFQSA-N 1 3 338.408 -1.931 20 0 EAADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001158496614 793359743 /nfs/dbraw/zinc/35/97/43/793359743.db2.gz VHTWXXAQCOVTFG-ZDEQEGDKSA-N 1 3 338.408 -1.931 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535679 793361246 /nfs/dbraw/zinc/36/12/46/793361246.db2.gz YVTWVEXCUGHQFO-FUTJPDQTSA-N 1 3 325.413 -1.258 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535680 793361060 /nfs/dbraw/zinc/36/10/60/793361060.db2.gz YVTWVEXCUGHQFO-MCYUEQNJSA-N 1 3 325.413 -1.258 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535683 793361460 /nfs/dbraw/zinc/36/14/60/793361460.db2.gz YVTWVEXCUGHQFO-OZTPJHRESA-N 1 3 325.413 -1.258 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535684 793361233 /nfs/dbraw/zinc/36/12/33/793361233.db2.gz YVTWVEXCUGHQFO-RTWAVKEYSA-N 1 3 325.413 -1.258 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576991 793362769 /nfs/dbraw/zinc/36/27/69/793362769.db2.gz FWXNQEBHWUBLMT-MMWGEVLESA-N 1 3 343.403 -1.771 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158576995 793362197 /nfs/dbraw/zinc/36/21/97/793362197.db2.gz FWXNQEBHWUBLMT-NAKRPEOUSA-N 1 3 343.403 -1.771 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158576997 793362232 /nfs/dbraw/zinc/36/22/32/793362232.db2.gz FWXNQEBHWUBLMT-VLEAKVRGSA-N 1 3 343.403 -1.771 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576998 793362213 /nfs/dbraw/zinc/36/22/13/793362213.db2.gz FWXNQEBHWUBLMT-ZDCRXTMVSA-N 1 3 343.403 -1.771 20 0 EAADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)CNCCC[NH3+] ZINC001158734655 793364489 /nfs/dbraw/zinc/36/44/89/793364489.db2.gz FGALERKVDCKAEZ-UHFFFAOYSA-N 1 3 345.425 -1.453 20 0 EAADHO CN(C[C@@H](O)CO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158798210 793366175 /nfs/dbraw/zinc/36/61/75/793366175.db2.gz GPOQVCHREFLIEM-AGIUHOORSA-N 1 3 330.429 -1.755 20 0 EAADHO CN(C[C@H](O)CO)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158798211 793366779 /nfs/dbraw/zinc/36/67/79/793366779.db2.gz GPOQVCHREFLIEM-AVGNSLFASA-N 1 3 330.429 -1.755 20 0 EAADHO N[C@H](CCC[NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821591 793365645 /nfs/dbraw/zinc/36/56/45/793365645.db2.gz NGTHDZCVQGRVTP-GFCCVEGCSA-N 1 3 337.428 -1.481 20 0 EAADHO N[C@@H](CCC[NH3+])C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821592 793366495 /nfs/dbraw/zinc/36/64/95/793366495.db2.gz NGTHDZCVQGRVTP-LBPRGKRZSA-N 1 3 337.428 -1.481 20 0 EAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967635 793367690 /nfs/dbraw/zinc/36/76/90/793367690.db2.gz CHVYSJDWCQFMHZ-MCIONIFRSA-N 1 3 344.419 -1.298 20 0 EAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967642 793367939 /nfs/dbraw/zinc/36/79/39/793367939.db2.gz CHVYSJDWCQFMHZ-MJBXVCDLSA-N 1 3 344.419 -1.298 20 0 EAADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001159084826 793373352 /nfs/dbraw/zinc/37/33/52/793373352.db2.gz MEIWCQZXQOREDW-HZSPNIEDSA-N 1 3 344.419 -1.065 20 0 EAADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001159084827 793373107 /nfs/dbraw/zinc/37/31/07/793373107.db2.gz MEIWCQZXQOREDW-MELADBBJSA-N 1 3 344.419 -1.065 20 0 EAADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001159109438 793374175 /nfs/dbraw/zinc/37/41/75/793374175.db2.gz VYUFJKMZNIRYFK-XJFOESAGSA-N 1 3 336.436 -1.205 20 0 EAADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001159109439 793373927 /nfs/dbraw/zinc/37/39/27/793373927.db2.gz VYUFJKMZNIRYFK-ZOBORPQBSA-N 1 3 336.436 -1.205 20 0 EAADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001159133140 793374692 /nfs/dbraw/zinc/37/46/92/793374692.db2.gz HGXNWXTTYJIXGQ-KBPBESRZSA-N 1 3 348.451 -1.267 20 0 EAADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001159133142 793374579 /nfs/dbraw/zinc/37/45/79/793374579.db2.gz HGXNWXTTYJIXGQ-KGLIPLIRSA-N 1 3 348.451 -1.267 20 0 EAADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001159133145 793374660 /nfs/dbraw/zinc/37/46/60/793374660.db2.gz HGXNWXTTYJIXGQ-UONOGXRCSA-N 1 3 348.451 -1.267 20 0 EAADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001159133147 793374716 /nfs/dbraw/zinc/37/47/16/793374716.db2.gz HGXNWXTTYJIXGQ-ZIAGYGMSSA-N 1 3 348.451 -1.267 20 0 EAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272162 793381345 /nfs/dbraw/zinc/38/13/45/793381345.db2.gz JECCJHAEQQRSRU-MCIONIFRSA-N 1 3 344.419 -1.298 20 0 EAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272165 793381807 /nfs/dbraw/zinc/38/18/07/793381807.db2.gz JECCJHAEQQRSRU-MJBXVCDLSA-N 1 3 344.419 -1.298 20 0 EAADHO O=C([C@H]1CNCCN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403227 793384747 /nfs/dbraw/zinc/38/47/47/793384747.db2.gz ODBKTMLTNPHWIU-BYNSBNAKSA-N 1 3 346.435 -1.005 20 0 EAADHO O=C([C@@H]1CNCCN1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403228 793384584 /nfs/dbraw/zinc/38/45/84/793384584.db2.gz ODBKTMLTNPHWIU-ZQDZILKHSA-N 1 3 346.435 -1.005 20 0 EAADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC3)CC1 ZINC001159424718 793386023 /nfs/dbraw/zinc/38/60/23/793386023.db2.gz LPYLXWFSHZXJPP-HIFRSBDPSA-N 1 3 347.467 -1.338 20 0 EAADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C[C@H]([NH3+])CN2)CC3)CC1 ZINC001159424722 793386416 /nfs/dbraw/zinc/38/64/16/793386416.db2.gz LPYLXWFSHZXJPP-ZFWWWQNUSA-N 1 3 347.467 -1.338 20 0 EAADHO CN1CCN(Cc2cn3c(n2)CN(C(=O)CNCCC[NH3+])CC3)CC1 ZINC001159425030 793386285 /nfs/dbraw/zinc/38/62/85/793386285.db2.gz OYQLCIDXLJGJBC-UHFFFAOYSA-N 1 3 349.483 -1.089 20 0 EAADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]2C[NH2+]CC24CNC4)C3)n1 ZINC001159471845 793387071 /nfs/dbraw/zinc/38/70/71/793387071.db2.gz LMLJMTBJUJXDJW-BFQNTYOBSA-N 1 3 333.392 -1.087 20 0 EAADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H]2C[NH2+]CC24CNC4)C3)n1 ZINC001159471846 793387028 /nfs/dbraw/zinc/38/70/28/793387028.db2.gz LMLJMTBJUJXDJW-XHBSWPGZSA-N 1 3 333.392 -1.087 20 0 EAADHO O=C(N[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001159598745 793387720 /nfs/dbraw/zinc/38/77/20/793387720.db2.gz CBPREATUIMJFDM-KBUPBQIOSA-N 1 3 348.447 -1.063 20 0 EAADHO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H]2COC[C@H]12)C1CCC1 ZINC001159598746 793389137 /nfs/dbraw/zinc/38/91/37/793389137.db2.gz CBPREATUIMJFDM-LXTVHRRPSA-N 1 3 348.447 -1.063 20 0 EAADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC001159853248 793391249 /nfs/dbraw/zinc/39/12/49/793391249.db2.gz BHEUQCPHRYYYGM-UHFFFAOYSA-N 1 3 339.440 -1.475 20 0 EAADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001159915618 793392258 /nfs/dbraw/zinc/39/22/58/793392258.db2.gz LCVRAXIAAAVQMC-HNNXBMFYSA-N 1 3 339.440 -1.619 20 0 EAADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC001159915620 793393297 /nfs/dbraw/zinc/39/32/97/793393297.db2.gz LCVRAXIAAAVQMC-OAHLLOKOSA-N 1 3 339.440 -1.619 20 0 EAADHO COCCN1CCO[C@H]2CN(C(=O)[C@H](N)CCC[NH3+])CC[C@H]2C1=O ZINC001159917288 793392076 /nfs/dbraw/zinc/39/20/76/793392076.db2.gz HFZGKBJKBSMZJT-MCIONIFRSA-N 1 3 342.440 -1.225 20 0 EAADHO COCCN1CCO[C@H]2CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@H]2C1=O ZINC001159917292 793391729 /nfs/dbraw/zinc/39/17/29/793391729.db2.gz HFZGKBJKBSMZJT-RDBSUJKOSA-N 1 3 342.440 -1.225 20 0 EAADHO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001159929710 793391747 /nfs/dbraw/zinc/39/17/47/793391747.db2.gz JXBSZBBRJJDCAD-AWEZNQCLSA-N 1 3 335.412 -1.417 20 0 EAADHO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001159929711 793393089 /nfs/dbraw/zinc/39/30/89/793393089.db2.gz JXBSZBBRJJDCAD-CQSZACIVSA-N 1 3 335.412 -1.417 20 0 EAADHO CC(=O)NCc1nnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001159930782 793391849 /nfs/dbraw/zinc/39/18/49/793391849.db2.gz TZIISWYPHVQVNA-MLGOLLRUSA-N 1 3 347.423 -1.545 20 0 EAADHO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159930948 793393174 /nfs/dbraw/zinc/39/31/74/793393174.db2.gz ZNJOYPFKZRPHJO-JTQLQIEISA-N 1 3 341.441 -1.724 20 0 EAADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001159931269 793393391 /nfs/dbraw/zinc/39/33/91/793393391.db2.gz BTXAVEJHQJNCLQ-CYBMUJFWSA-N 1 3 325.413 -1.026 20 0 EAADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001159931271 793393258 /nfs/dbraw/zinc/39/32/58/793393258.db2.gz BTXAVEJHQJNCLQ-ZDUSSCGKSA-N 1 3 325.413 -1.026 20 0 EAADHO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001159931539 793393148 /nfs/dbraw/zinc/39/31/48/793393148.db2.gz ZSJRGMKEXDDKBT-LLVKDONJSA-N 1 3 333.396 -1.935 20 0 EAADHO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001159931540 793391653 /nfs/dbraw/zinc/39/16/53/793391653.db2.gz ZSJRGMKEXDDKBT-NSHDSACASA-N 1 3 333.396 -1.935 20 0 EAADHO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CCC1 ZINC001159997161 793394609 /nfs/dbraw/zinc/39/46/09/793394609.db2.gz IMHFYSHRGHPHGR-UHFFFAOYSA-N 1 3 339.440 -1.475 20 0 EAADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)[C@H]2C1 ZINC001159998924 793394782 /nfs/dbraw/zinc/39/47/82/793394782.db2.gz OYXSSLYVWJRPCC-AGIUHOORSA-N 1 3 342.465 -1.322 20 0 EAADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)[C@H]2C1 ZINC001159998925 793394243 /nfs/dbraw/zinc/39/42/43/793394243.db2.gz OYXSSLYVWJRPCC-UPJWGTAASA-N 1 3 342.465 -1.322 20 0 EAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]2C1 ZINC001160007264 793393630 /nfs/dbraw/zinc/39/36/30/793393630.db2.gz HWGVMLQIVCGPPV-AGIUHOORSA-N 1 3 347.485 -1.361 20 0 EAADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]2C1 ZINC001160007265 793393540 /nfs/dbraw/zinc/39/35/40/793393540.db2.gz HWGVMLQIVCGPPV-FRRDWIJNSA-N 1 3 347.485 -1.361 20 0 EAADHO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155554 793397681 /nfs/dbraw/zinc/39/76/81/793397681.db2.gz JCKCXWNMOBKBAX-DEQVHRJGSA-N 1 3 340.424 -1.868 20 0 EAADHO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155554 793397669 /nfs/dbraw/zinc/39/76/69/793397669.db2.gz JCKCXWNMOBKBAX-DEQVHRJGSA-N 1 3 340.424 -1.868 20 0 EAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160171138 793398817 /nfs/dbraw/zinc/39/88/17/793398817.db2.gz IINBSFRVLFNNQB-SWLSCSKDSA-N 1 3 325.413 -1.608 20 0 EAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160171139 793399461 /nfs/dbraw/zinc/39/94/61/793399461.db2.gz IINBSFRVLFNNQB-WFASDCNBSA-N 1 3 325.413 -1.608 20 0 EAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160171548 793398639 /nfs/dbraw/zinc/39/86/39/793398639.db2.gz OCEQTCIHITWSLJ-KBRIMQKVSA-N 1 3 349.435 -1.865 20 0 EAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160171549 793399075 /nfs/dbraw/zinc/39/90/75/793399075.db2.gz OCEQTCIHITWSLJ-XOKHGSTOSA-N 1 3 349.435 -1.865 20 0 EAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160172374 793398356 /nfs/dbraw/zinc/39/83/56/793398356.db2.gz DFHFWVHQQBXYHH-FZMZJTMJSA-N 1 3 343.453 -2.045 20 0 EAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160172377 793399395 /nfs/dbraw/zinc/39/93/95/793399395.db2.gz DFHFWVHQQBXYHH-SMDDNHRTSA-N 1 3 343.453 -2.045 20 0 EAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160172613 793398916 /nfs/dbraw/zinc/39/89/16/793398916.db2.gz ZNNHTFXBIFTQJT-BLLLJJGKSA-N 1 3 335.408 -2.255 20 0 EAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160172614 793399162 /nfs/dbraw/zinc/39/91/62/793399162.db2.gz ZNNHTFXBIFTQJT-LRDDRELGSA-N 1 3 335.408 -2.255 20 0 EAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160172615 793399133 /nfs/dbraw/zinc/39/91/33/793399133.db2.gz ZNNHTFXBIFTQJT-MLGOLLRUSA-N 1 3 335.408 -2.255 20 0 EAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160172616 793398243 /nfs/dbraw/zinc/39/82/43/793398243.db2.gz ZNNHTFXBIFTQJT-WBMJQRKESA-N 1 3 335.408 -2.255 20 0 EAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160173990 793400676 /nfs/dbraw/zinc/40/06/76/793400676.db2.gz OEJAJOCGJXCFML-GDBMZVCRSA-N 1 3 337.424 -1.737 20 0 EAADHO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160173992 793399625 /nfs/dbraw/zinc/39/96/25/793399625.db2.gz OEJAJOCGJXCFML-GOEBONIOSA-N 1 3 337.424 -1.737 20 0 EAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160173994 793399874 /nfs/dbraw/zinc/39/98/74/793399874.db2.gz OEJAJOCGJXCFML-HOCLYGCPSA-N 1 3 337.424 -1.737 20 0 EAADHO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160173995 793399848 /nfs/dbraw/zinc/39/98/48/793399848.db2.gz OEJAJOCGJXCFML-ZBFHGGJFSA-N 1 3 337.424 -1.737 20 0 EAADHO Cn1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[NH2+]CC45CNC5)C[C@@H]3C2=O)cn1 ZINC001160218604 793399813 /nfs/dbraw/zinc/39/98/13/793399813.db2.gz QWNXQQHBTCHCIC-FPMFFAJLSA-N 1 3 344.419 -1.350 20 0 EAADHO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[NH2+]CC45CNC5)C[C@@H]3C2=O)cn1 ZINC001160218608 793399932 /nfs/dbraw/zinc/39/99/32/793399932.db2.gz QWNXQQHBTCHCIC-UBHSHLNASA-N 1 3 344.419 -1.350 20 0 EAADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C ZINC001160426900 793402769 /nfs/dbraw/zinc/40/27/69/793402769.db2.gz KBFQNFDZTYNGKU-HNNXBMFYSA-N 1 3 341.456 -1.373 20 0 EAADHO CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160432012 793403737 /nfs/dbraw/zinc/40/37/37/793403737.db2.gz KWSVXNULGJZTAU-GFCCVEGCSA-N 1 3 330.454 -1.036 20 0 EAADHO CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160432012 793403733 /nfs/dbraw/zinc/40/37/33/793403733.db2.gz KWSVXNULGJZTAU-GFCCVEGCSA-N 1 3 330.454 -1.036 20 0 EAADHO CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160432013 793403382 /nfs/dbraw/zinc/40/33/82/793403382.db2.gz KWSVXNULGJZTAU-LBPRGKRZSA-N 1 3 330.454 -1.036 20 0 EAADHO CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160432013 793403374 /nfs/dbraw/zinc/40/33/74/793403374.db2.gz KWSVXNULGJZTAU-LBPRGKRZSA-N 1 3 330.454 -1.036 20 0 EAADHO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160439546 793404551 /nfs/dbraw/zinc/40/45/51/793404551.db2.gz MBSIHPJFEKZDST-BFQNTYOBSA-N 1 3 338.408 -1.534 20 0 EAADHO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160439547 793404746 /nfs/dbraw/zinc/40/47/46/793404746.db2.gz MBSIHPJFEKZDST-XHBSWPGZSA-N 1 3 338.408 -1.534 20 0 EAADHO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160451373 793405030 /nfs/dbraw/zinc/40/50/30/793405030.db2.gz NFDDFCNDQCTFKW-AGIUHOORSA-N 1 3 339.440 -1.219 20 0 EAADHO C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160451374 793404935 /nfs/dbraw/zinc/40/49/35/793404935.db2.gz NFDDFCNDQCTFKW-AVGNSLFASA-N 1 3 339.440 -1.219 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001160454737 793404093 /nfs/dbraw/zinc/40/40/93/793404093.db2.gz SHJYZBCTPBTQOK-JQWIXIFHSA-N 1 3 327.429 -1.506 20 0 EAADHO C[NH2+]CC1CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC1 ZINC001160458772 793404566 /nfs/dbraw/zinc/40/45/66/793404566.db2.gz DFLQJSRWUCPICE-CMPLNLGQSA-N 1 3 327.429 -1.458 20 0 EAADHO O=C(CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1)N1CCCC1 ZINC001160482893 793406000 /nfs/dbraw/zinc/40/60/00/793406000.db2.gz CDSUPPMACXMCHB-CRAIPNDOSA-N 1 3 349.479 -1.048 20 0 EAADHO O=C(CN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1)N1CCCC1 ZINC001160482910 793405882 /nfs/dbraw/zinc/40/58/82/793405882.db2.gz COUIOBCZHVPZSZ-AWEZNQCLSA-N 1 3 335.452 -1.438 20 0 EAADHO O=C(CN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1)N1CCCC1 ZINC001160482911 793406098 /nfs/dbraw/zinc/40/60/98/793406098.db2.gz COUIOBCZHVPZSZ-CQSZACIVSA-N 1 3 335.452 -1.438 20 0 EAADHO CC(C)NC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160484785 793405537 /nfs/dbraw/zinc/40/55/37/793405537.db2.gz DDLWPWBHYBAUPT-RHSMWYFYSA-N 1 3 337.468 -1.146 20 0 EAADHO CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160484871 793405610 /nfs/dbraw/zinc/40/56/10/793405610.db2.gz IAAVSGPBVGDECG-LBPRGKRZSA-N 1 3 331.486 -1.326 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160485649 793405514 /nfs/dbraw/zinc/40/55/14/793405514.db2.gz YTHWLRHJRCUJNO-ZDUSSCGKSA-N 1 3 343.497 -1.228 20 0 EAADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160491743 793405149 /nfs/dbraw/zinc/40/51/49/793405149.db2.gz BKIIIUDDHNEJQG-HOSYDEDBSA-N 1 3 345.421 -1.071 20 0 EAADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160491744 793405837 /nfs/dbraw/zinc/40/58/37/793405837.db2.gz BKIIIUDDHNEJQG-JBLDHEPKSA-N 1 3 345.421 -1.071 20 0 EAADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160491745 793405156 /nfs/dbraw/zinc/40/51/56/793405156.db2.gz BKIIIUDDHNEJQG-NHCYSSNCSA-N 1 3 345.421 -1.071 20 0 EAADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160491746 793406112 /nfs/dbraw/zinc/40/61/12/793406112.db2.gz BKIIIUDDHNEJQG-UMNHJUIQSA-N 1 3 345.421 -1.071 20 0 EAADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160495810 793406270 /nfs/dbraw/zinc/40/62/70/793406270.db2.gz ZBLORTOPHOFJFE-ATZCPNFKSA-N 1 3 343.405 -1.589 20 0 EAADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160495811 793405943 /nfs/dbraw/zinc/40/59/43/793405943.db2.gz ZBLORTOPHOFJFE-QXEWZRGKSA-N 1 3 343.405 -1.589 20 0 EAADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160495812 793406260 /nfs/dbraw/zinc/40/62/60/793406260.db2.gz ZBLORTOPHOFJFE-WCABBAIRSA-N 1 3 343.405 -1.589 20 0 EAADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160495814 793405590 /nfs/dbraw/zinc/40/55/90/793405590.db2.gz ZBLORTOPHOFJFE-YWVKMMECSA-N 1 3 343.405 -1.589 20 0 EAADHO CN(C)C(=O)CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160503747 793405561 /nfs/dbraw/zinc/40/55/61/793405561.db2.gz FAPTYRBXRSSNLA-STQMWFEESA-N 1 3 341.456 -1.020 20 0 EAADHO CC[NH+]1CCC(N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001160538337 793407089 /nfs/dbraw/zinc/40/70/89/793407089.db2.gz WECOPOWXSBKNCN-JQWIXIFHSA-N 1 3 327.429 -1.364 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160542501 793407447 /nfs/dbraw/zinc/40/74/47/793407447.db2.gz YXEALXTYOYOYNC-NGZCFLSTSA-N 1 3 349.395 -1.865 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160542502 793407551 /nfs/dbraw/zinc/40/75/51/793407551.db2.gz YXEALXTYOYOYNC-QXEWZRGKSA-N 1 3 349.395 -1.865 20 0 EAADHO NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001160548688 793407401 /nfs/dbraw/zinc/40/74/01/793407401.db2.gz IKGJXOKIRZAGGJ-AGIUHOORSA-N 1 3 339.440 -1.233 20 0 EAADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160585382 793408070 /nfs/dbraw/zinc/40/80/70/793408070.db2.gz JBPGSNGILKHNRP-CYBMUJFWSA-N 1 3 344.481 -1.626 20 0 EAADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160585383 793408690 /nfs/dbraw/zinc/40/86/90/793408690.db2.gz JBPGSNGILKHNRP-ZDUSSCGKSA-N 1 3 344.481 -1.626 20 0 EAADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160585655 793408460 /nfs/dbraw/zinc/40/84/60/793408460.db2.gz NFAFXSNFGBBGIR-AWEZNQCLSA-N 1 3 346.497 -1.108 20 0 EAADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160585656 793408093 /nfs/dbraw/zinc/40/80/93/793408093.db2.gz NFAFXSNFGBBGIR-CQSZACIVSA-N 1 3 346.497 -1.108 20 0 EAADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160629896 793408128 /nfs/dbraw/zinc/40/81/28/793408128.db2.gz SMGMOQVBIXHMHK-LBPRGKRZSA-N 1 3 326.449 -1.199 20 0 EAADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160629896 793408123 /nfs/dbraw/zinc/40/81/23/793408123.db2.gz SMGMOQVBIXHMHK-LBPRGKRZSA-N 1 3 326.449 -1.199 20 0 EAADHO CN1CCN(C2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C2)CC1=O ZINC001160634817 793573084 /nfs/dbraw/zinc/57/30/84/793573084.db2.gz FMYXKNAQXOQAPG-AWEZNQCLSA-N 1 3 335.452 -1.155 20 0 EAADHO CN1CCN(C2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C2)CC1=O ZINC001160634817 793573075 /nfs/dbraw/zinc/57/30/75/793573075.db2.gz FMYXKNAQXOQAPG-AWEZNQCLSA-N 1 3 335.452 -1.155 20 0 EAADHO CN1CCN(C2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C2)CC1=O ZINC001160634818 793573527 /nfs/dbraw/zinc/57/35/27/793573527.db2.gz FMYXKNAQXOQAPG-CQSZACIVSA-N 1 3 335.452 -1.155 20 0 EAADHO CN1CCN(C2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C2)CC1=O ZINC001160634818 793573525 /nfs/dbraw/zinc/57/35/25/793573525.db2.gz FMYXKNAQXOQAPG-CQSZACIVSA-N 1 3 335.452 -1.155 20 0 EAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643591 793572745 /nfs/dbraw/zinc/57/27/45/793572745.db2.gz JLFHCEPUQDWYJD-RYUDHWBXSA-N 1 3 336.396 -1.500 20 0 EAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653102 793575702 /nfs/dbraw/zinc/57/57/02/793575702.db2.gz UGIIUWRLGTYPTB-NTZNESFSSA-N 1 3 336.396 -1.766 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)C[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001160698752 793576277 /nfs/dbraw/zinc/57/62/77/793576277.db2.gz QPLVOFSVJSCSGZ-QJPTWQEYSA-N 1 3 327.429 -1.458 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)C[C@H]1CCC[NH2+]C1)C(N)=O ZINC001160698753 793576176 /nfs/dbraw/zinc/57/61/76/793576176.db2.gz QPLVOFSVJSCSGZ-SDDRHHMPSA-N 1 3 327.429 -1.458 20 0 EAADHO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160772022 793577180 /nfs/dbraw/zinc/57/71/80/793577180.db2.gz LZBFMRJMVUUOOD-MNOVXSKESA-N 1 3 347.437 -1.369 20 0 EAADHO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160772023 787496063 /nfs/dbraw/zinc/49/60/63/787496063.db2.gz LZBFMRJMVUUOOD-QWRGUYRKSA-N 1 3 347.437 -1.369 20 0 EAADHO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160772771 793577731 /nfs/dbraw/zinc/57/77/31/793577731.db2.gz WXKFMZYKMLXWAY-NXEZZACHSA-N 1 3 333.410 -1.759 20 0 EAADHO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160772773 793577004 /nfs/dbraw/zinc/57/70/04/793577004.db2.gz WXKFMZYKMLXWAY-UWVGGRQHSA-N 1 3 333.410 -1.759 20 0 EAADHO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160772775 793577282 /nfs/dbraw/zinc/57/72/82/793577282.db2.gz WXKFMZYKMLXWAY-VHSXEESVSA-N 1 3 333.410 -1.759 20 0 EAADHO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160772777 793576987 /nfs/dbraw/zinc/57/69/87/793576987.db2.gz WXKFMZYKMLXWAY-ZJUUUORDSA-N 1 3 333.410 -1.759 20 0 EAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CNCCN3C)C[C@H]1C2 ZINC001160796909 793578691 /nfs/dbraw/zinc/57/86/91/793578691.db2.gz AVTUBDMSAWWDCF-RBUCKAEESA-N 1 3 336.436 -1.253 20 0 EAADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CNCCN3C)C[C@H]1C2 ZINC001160796910 793578609 /nfs/dbraw/zinc/57/86/09/793578609.db2.gz AVTUBDMSAWWDCF-RFJMFJJWSA-N 1 3 336.436 -1.253 20 0 EAADHO CCOC(=O)[C@]12CN(C(=O)[C@H](C)NC(=O)[C@H](C)N)C[C@H]1C[NH2+]CC2 ZINC001160812861 793579352 /nfs/dbraw/zinc/57/93/52/793579352.db2.gz UBHAQMJREMHWQA-PVTKRXDGSA-N 1 3 340.424 -1.161 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160838343 793578553 /nfs/dbraw/zinc/57/85/53/793578553.db2.gz HPJKNBUHUJQYIR-AXFHLTTASA-N 1 3 329.401 -2.517 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160838345 793578821 /nfs/dbraw/zinc/57/88/21/793578821.db2.gz HPJKNBUHUJQYIR-DCAQKATOSA-N 1 3 329.401 -2.517 20 0 EAADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C ZINC001160883436 793581391 /nfs/dbraw/zinc/58/13/91/793581391.db2.gz MZZSZQICVAIHLI-GFCCVEGCSA-N 1 3 327.429 -1.619 20 0 EAADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001160889701 793581336 /nfs/dbraw/zinc/58/13/36/793581336.db2.gz PTYHOWSBTXHFFV-CHWSQXEVSA-N 1 3 342.440 -1.068 20 0 EAADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001160889702 793580888 /nfs/dbraw/zinc/58/08/88/793580888.db2.gz PTYHOWSBTXHFFV-QWHCGFSZSA-N 1 3 342.440 -1.068 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915527 793581998 /nfs/dbraw/zinc/58/19/98/793581998.db2.gz CAMHNEJUCYJTME-WPRPVWTQSA-N 1 3 335.368 -2.511 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160965075 793582424 /nfs/dbraw/zinc/58/24/24/793582424.db2.gz SLJLLTIHIJOBDT-BQVMBELUSA-N 1 3 325.413 -1.896 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C(N)=O ZINC001160974339 793582510 /nfs/dbraw/zinc/58/25/10/793582510.db2.gz ZRAUAEMJCWXCSF-DJLDLDEBSA-N 1 3 335.355 -1.721 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C(N)=O ZINC001160974350 793582674 /nfs/dbraw/zinc/58/26/74/793582674.db2.gz ZRAUAEMJCWXCSF-XHNCKOQMSA-N 1 3 335.355 -1.721 20 0 EAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000119 793582496 /nfs/dbraw/zinc/58/24/96/793582496.db2.gz PYEAKTJIUWZQHT-NEPJUHHUSA-N 1 3 343.449 -1.522 20 0 EAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000120 793582394 /nfs/dbraw/zinc/58/23/94/793582394.db2.gz PYEAKTJIUWZQHT-NWDGAFQWSA-N 1 3 343.449 -1.522 20 0 EAADHO O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000121 793582598 /nfs/dbraw/zinc/58/25/98/793582598.db2.gz PYEAKTJIUWZQHT-RYUDHWBXSA-N 1 3 343.449 -1.522 20 0 EAADHO O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000122 793582262 /nfs/dbraw/zinc/58/22/62/793582262.db2.gz PYEAKTJIUWZQHT-VXGBXAGGSA-N 1 3 343.449 -1.522 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007218 793583160 /nfs/dbraw/zinc/58/31/60/793583160.db2.gz IYYVTDBERDDOTO-DCAQKATOSA-N 1 3 341.412 -2.591 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007219 793582463 /nfs/dbraw/zinc/58/24/63/793582463.db2.gz IYYVTDBERDDOTO-GARJFASQSA-N 1 3 341.412 -2.591 20 0 EAADHO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161035341 787537859 /nfs/dbraw/zinc/53/78/59/787537859.db2.gz VFZVKYJWWGBFII-AVGNSLFASA-N 1 3 339.440 -1.090 20 0 EAADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001161048912 793584346 /nfs/dbraw/zinc/58/43/46/793584346.db2.gz AOCCFCZLQPQKFI-SRVKXCTJSA-N 1 3 327.429 -1.365 20 0 EAADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001161048912 793584343 /nfs/dbraw/zinc/58/43/43/793584343.db2.gz AOCCFCZLQPQKFI-SRVKXCTJSA-N 1 3 327.429 -1.365 20 0 EAADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001161048913 793584428 /nfs/dbraw/zinc/58/44/28/793584428.db2.gz AOCCFCZLQPQKFI-TUAOUCFPSA-N 1 3 327.429 -1.365 20 0 EAADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001161048913 793584424 /nfs/dbraw/zinc/58/44/24/793584424.db2.gz AOCCFCZLQPQKFI-TUAOUCFPSA-N 1 3 327.429 -1.365 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+])C(N)=O ZINC001161061264 793584467 /nfs/dbraw/zinc/58/44/67/793584467.db2.gz FSMMCZGJQGUWMN-IRCOFANPSA-N 1 3 327.429 -1.188 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+])C(N)=O ZINC001161061266 793584369 /nfs/dbraw/zinc/58/43/69/793584369.db2.gz FSMMCZGJQGUWMN-NNYUYHANSA-N 1 3 327.429 -1.188 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)[C@H]1CCCC[C@H]1[NH3+])C(N)=O ZINC001161061269 793584205 /nfs/dbraw/zinc/58/42/05/793584205.db2.gz FSMMCZGJQGUWMN-QCNOEVLYSA-N 1 3 327.429 -1.188 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+])C(N)=O ZINC001161061271 793585017 /nfs/dbraw/zinc/58/50/17/793585017.db2.gz FSMMCZGJQGUWMN-YFKTTZPYSA-N 1 3 327.429 -1.188 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)C1(C)CC[NH2+]CC1)C(N)=O ZINC001161074137 793585783 /nfs/dbraw/zinc/58/57/83/793585783.db2.gz XDDBKSYOQZPXGW-WDEREUQCSA-N 1 3 327.429 -1.316 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161081935 793586160 /nfs/dbraw/zinc/58/61/60/793586160.db2.gz MTJLPYIKHWWFHS-BJDJZHNGSA-N 1 3 325.413 -1.754 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161081935 793586155 /nfs/dbraw/zinc/58/61/55/793586155.db2.gz MTJLPYIKHWWFHS-BJDJZHNGSA-N 1 3 325.413 -1.754 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161081937 793585671 /nfs/dbraw/zinc/58/56/71/793585671.db2.gz MTJLPYIKHWWFHS-FIQHERPVSA-N 1 3 325.413 -1.754 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161081937 793585668 /nfs/dbraw/zinc/58/56/68/793585668.db2.gz MTJLPYIKHWWFHS-FIQHERPVSA-N 1 3 325.413 -1.754 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161081939 793585443 /nfs/dbraw/zinc/58/54/43/793585443.db2.gz MTJLPYIKHWWFHS-USZNOCQGSA-N 1 3 325.413 -1.754 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161081939 793585441 /nfs/dbraw/zinc/58/54/41/793585441.db2.gz MTJLPYIKHWWFHS-USZNOCQGSA-N 1 3 325.413 -1.754 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161081940 793586339 /nfs/dbraw/zinc/58/63/39/793586339.db2.gz MTJLPYIKHWWFHS-WHOHXGKFSA-N 1 3 325.413 -1.754 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161081940 793586333 /nfs/dbraw/zinc/58/63/33/793586333.db2.gz MTJLPYIKHWWFHS-WHOHXGKFSA-N 1 3 325.413 -1.754 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161084434 793586216 /nfs/dbraw/zinc/58/62/16/793586216.db2.gz XYFCRHDASFOKHE-NSHDSACASA-N 1 3 326.426 -1.150 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084797 793585926 /nfs/dbraw/zinc/58/59/26/793585926.db2.gz IZHIOJIHDZNFST-CYDGBPFRSA-N 1 3 338.408 -1.040 20 0 EAADHO COc1cc(N2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)ncn1 ZINC001161093555 793587489 /nfs/dbraw/zinc/58/74/89/793587489.db2.gz RFTIOYDIOSYXNK-GFCCVEGCSA-N 1 3 332.408 -1.057 20 0 EAADHO COc1cc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)ncn1 ZINC001161093556 793587533 /nfs/dbraw/zinc/58/75/33/793587533.db2.gz RFTIOYDIOSYXNK-LBPRGKRZSA-N 1 3 332.408 -1.057 20 0 EAADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001161149556 793589342 /nfs/dbraw/zinc/58/93/42/793589342.db2.gz ACSHMNRAGLXBDG-DHQNTFAWSA-N 1 3 333.392 -1.473 20 0 EAADHO O=C([C@H]1C[NH2+]CC12CNC2)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001161149560 793588875 /nfs/dbraw/zinc/58/88/75/793588875.db2.gz ACSHMNRAGLXBDG-LMBMSJQFSA-N 1 3 333.392 -1.473 20 0 EAADHO O=C(N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161151306 793588968 /nfs/dbraw/zinc/58/89/68/793588968.db2.gz VVUJYWLCILOFPU-RYXPAKAESA-N 1 3 347.419 -1.083 20 0 EAADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001161158247 793590033 /nfs/dbraw/zinc/59/00/33/793590033.db2.gz SBNQAAIEYAIWEK-LLVKDONJSA-N 1 3 347.437 -1.496 20 0 EAADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001161158249 793590841 /nfs/dbraw/zinc/59/08/41/793590841.db2.gz SBNQAAIEYAIWEK-NSHDSACASA-N 1 3 347.437 -1.496 20 0 EAADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001161158296 793589996 /nfs/dbraw/zinc/58/99/96/793589996.db2.gz CHXMYQHQVSRPHJ-UWVGGRQHSA-N 1 3 345.400 -2.566 20 0 EAADHO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001161174791 793592079 /nfs/dbraw/zinc/59/20/79/793592079.db2.gz FURLEJPWSNDORU-RYUDHWBXSA-N 1 3 330.429 -1.884 20 0 EAADHO CCC[NH+]1C[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@@H]2C1 ZINC001161174979 793592218 /nfs/dbraw/zinc/59/22/18/793592218.db2.gz HVOVNVJWBUFIIH-CYDGBPFRSA-N 1 3 339.440 -1.506 20 0 EAADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]2C1 ZINC001161174980 793591946 /nfs/dbraw/zinc/59/19/46/793591946.db2.gz HVOVNVJWBUFIIH-LOWDOPEQSA-N 1 3 339.440 -1.506 20 0 EAADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]2C1 ZINC001161174981 793591433 /nfs/dbraw/zinc/59/14/33/793591433.db2.gz HVOVNVJWBUFIIH-RVMXOQNASA-N 1 3 339.440 -1.506 20 0 EAADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]2C1 ZINC001161174981 793591426 /nfs/dbraw/zinc/59/14/26/793591426.db2.gz HVOVNVJWBUFIIH-RVMXOQNASA-N 1 3 339.440 -1.506 20 0 EAADHO NC[C@H](N)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196505 793591983 /nfs/dbraw/zinc/59/19/83/793591983.db2.gz KHMQIAAUDMUYKF-HNNXBMFYSA-N 1 3 327.473 -1.177 20 0 EAADHO CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219230 793043924 /nfs/dbraw/zinc/04/39/24/793043924.db2.gz OUYWUNRQWHBMQT-KZVDOYCCSA-N 1 3 332.408 -1.010 20 0 EAADHO CCS(=O)(=O)NC1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161260261 785428305 /nfs/dbraw/zinc/42/83/05/785428305.db2.gz MJWLXCCJZSEALW-GFCCVEGCSA-N 1 3 330.454 -1.274 20 0 EAADHO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161260262 785428158 /nfs/dbraw/zinc/42/81/58/785428158.db2.gz MJWLXCCJZSEALW-LBPRGKRZSA-N 1 3 330.454 -1.274 20 0 EAADHO CCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001161263749 793595079 /nfs/dbraw/zinc/59/50/79/793595079.db2.gz DBVUYNVSBRDCMJ-NSHDSACASA-N 1 3 338.499 -1.064 20 0 EAADHO COC(=O)[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296173 793594981 /nfs/dbraw/zinc/59/49/81/793594981.db2.gz QPWOLRJZICXHMC-CHWSQXEVSA-N 1 3 326.397 -1.454 20 0 EAADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296286 793595208 /nfs/dbraw/zinc/59/52/08/793595208.db2.gz QPWOLRJZICXHMC-OLZOCXBDSA-N 1 3 326.397 -1.454 20 0 EAADHO COC(=O)[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296287 793594864 /nfs/dbraw/zinc/59/48/64/793594864.db2.gz QPWOLRJZICXHMC-QWHCGFSZSA-N 1 3 326.397 -1.454 20 0 EAADHO COC(=O)[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161296288 793594516 /nfs/dbraw/zinc/59/45/16/793594516.db2.gz QPWOLRJZICXHMC-STQMWFEESA-N 1 3 326.397 -1.454 20 0 EAADHO COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCN1C(C)=O ZINC001161296300 793595609 /nfs/dbraw/zinc/59/56/09/793595609.db2.gz QYIMEUXYHZLTCG-DVOMOZLQSA-N 1 3 338.408 -1.582 20 0 EAADHO COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCN1C(C)=O ZINC001161296301 793595518 /nfs/dbraw/zinc/59/55/18/793595518.db2.gz QYIMEUXYHZLTCG-XJKCOSOUSA-N 1 3 338.408 -1.582 20 0 EAADHO COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCN1C(C)=O ZINC001161297255 793594624 /nfs/dbraw/zinc/59/46/24/793594624.db2.gz WNHVBZBNFKYFJL-QWRGUYRKSA-N 1 3 332.426 -1.762 20 0 EAADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])CCN1C(C)=O ZINC001161297258 793595094 /nfs/dbraw/zinc/59/50/94/793595094.db2.gz WNHVBZBNFKYFJL-WDEREUQCSA-N 1 3 332.426 -1.762 20 0 EAADHO CC(C)N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@H]1CC[NH2+]C1 ZINC001161353494 793596903 /nfs/dbraw/zinc/59/69/03/793596903.db2.gz RAEZKYBVPCJGGC-SDDRHHMPSA-N 1 3 327.429 -1.317 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380330 793597479 /nfs/dbraw/zinc/59/74/79/793597479.db2.gz UMMWKHQJHCEKBD-CHWSQXEVSA-N 1 3 326.445 -1.214 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380331 793596937 /nfs/dbraw/zinc/59/69/37/793596937.db2.gz UMMWKHQJHCEKBD-QWHCGFSZSA-N 1 3 326.445 -1.214 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(N)=O ZINC001161414640 793598871 /nfs/dbraw/zinc/59/88/71/793598871.db2.gz XZTBNKJPEPCQRE-HHHUOAJASA-N 1 3 325.413 -1.720 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(N)=O ZINC001161414641 793598256 /nfs/dbraw/zinc/59/82/56/793598256.db2.gz XZTBNKJPEPCQRE-KKJSVHSVSA-N 1 3 325.413 -1.720 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(N)=O ZINC001161414642 793598608 /nfs/dbraw/zinc/59/86/08/793598608.db2.gz XZTBNKJPEPCQRE-PREPNJAASA-N 1 3 325.413 -1.720 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(N)=O ZINC001161414643 793598159 /nfs/dbraw/zinc/59/81/59/793598159.db2.gz XZTBNKJPEPCQRE-UHFZAUJKSA-N 1 3 325.413 -1.720 20 0 EAADHO CS(=O)(=O)c1nc2c(c(-n3cc(CN)cnc3=N)n1)CC[NH2+]CC2 ZINC001161415343 793598240 /nfs/dbraw/zinc/59/82/40/793598240.db2.gz RCVXBPLUKMPVFU-UHFFFAOYSA-N 1 3 349.420 -1.308 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001161476964 793601986 /nfs/dbraw/zinc/60/19/86/793601986.db2.gz DEFZAAHWVFLEAT-FLDIIAITSA-N 1 3 331.438 -1.164 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001161476965 793602370 /nfs/dbraw/zinc/60/23/70/793602370.db2.gz DEFZAAHWVFLEAT-HEGBDWPZSA-N 1 3 331.438 -1.164 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001161476966 793602903 /nfs/dbraw/zinc/60/29/03/793602903.db2.gz DEFZAAHWVFLEAT-SITBDNABSA-N 1 3 331.438 -1.164 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001161476967 793602402 /nfs/dbraw/zinc/60/24/02/793602402.db2.gz DEFZAAHWVFLEAT-WZPNKDGKSA-N 1 3 331.438 -1.164 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001161479946 793602315 /nfs/dbraw/zinc/60/23/15/793602315.db2.gz RBDXLDQMCMGMGN-HSMVNMDESA-N 1 3 338.408 -1.930 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001161479947 793602690 /nfs/dbraw/zinc/60/26/90/793602690.db2.gz RBDXLDQMCMGMGN-MKBNYLNASA-N 1 3 338.408 -1.930 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001161479948 793603007 /nfs/dbraw/zinc/60/30/07/793603007.db2.gz RBDXLDQMCMGMGN-OZVIIMIRSA-N 1 3 338.408 -1.930 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001161479949 793602582 /nfs/dbraw/zinc/60/25/82/793602582.db2.gz RBDXLDQMCMGMGN-WQGACYEGSA-N 1 3 338.408 -1.930 20 0 EAADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)N)CC2 ZINC001161480010 793602077 /nfs/dbraw/zinc/60/20/77/793602077.db2.gz MPEZSJZSFWENAC-KIGUWFBYSA-N 1 3 326.397 -1.408 20 0 EAADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)N)CC2 ZINC001161480011 793602012 /nfs/dbraw/zinc/60/20/12/793602012.db2.gz MPEZSJZSFWENAC-USXUVBGUSA-N 1 3 326.397 -1.408 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)N)CC2 ZINC001161480012 793602888 /nfs/dbraw/zinc/60/28/88/793602888.db2.gz MPEZSJZSFWENAC-VEABSNGSSA-N 1 3 326.397 -1.408 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@H](C)N)CC2 ZINC001161480013 793602553 /nfs/dbraw/zinc/60/25/53/793602553.db2.gz MPEZSJZSFWENAC-ZVXAKGHKSA-N 1 3 326.397 -1.408 20 0 EAADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001161480562 793603111 /nfs/dbraw/zinc/60/31/11/793603111.db2.gz UYHYSEYCYUZEOK-FIXISWKDSA-N 1 3 341.412 -1.484 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001161480563 793603052 /nfs/dbraw/zinc/60/30/52/793603052.db2.gz UYHYSEYCYUZEOK-HFAKWTLXSA-N 1 3 341.412 -1.484 20 0 EAADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001161480564 793602270 /nfs/dbraw/zinc/60/22/70/793602270.db2.gz UYHYSEYCYUZEOK-JRPNMDOOSA-N 1 3 341.412 -1.484 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001161480565 793602443 /nfs/dbraw/zinc/60/24/43/793602443.db2.gz UYHYSEYCYUZEOK-PGUXBMHVSA-N 1 3 341.412 -1.484 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001161480566 793602260 /nfs/dbraw/zinc/60/22/60/793602260.db2.gz UYHYSEYCYUZEOK-RWSFTLGLSA-N 1 3 341.412 -1.484 20 0 EAADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001161480567 793602026 /nfs/dbraw/zinc/60/20/26/793602026.db2.gz UYHYSEYCYUZEOK-UEKVPHQBSA-N 1 3 341.412 -1.484 20 0 EAADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001161480568 793602504 /nfs/dbraw/zinc/60/25/04/793602504.db2.gz UYHYSEYCYUZEOK-ZETOZRRWSA-N 1 3 341.412 -1.484 20 0 EAADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001161480569 793602237 /nfs/dbraw/zinc/60/22/37/793602237.db2.gz UYHYSEYCYUZEOK-ZIBATOQPSA-N 1 3 341.412 -1.484 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@](C)(C[NH3+])C1)C(N)=O ZINC001161487693 793603021 /nfs/dbraw/zinc/60/30/21/793603021.db2.gz HKOVOXMZEKSYMR-FIXISWKDSA-N 1 3 327.429 -1.329 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@](C)(C[NH3+])C1)C(N)=O ZINC001161487694 793602569 /nfs/dbraw/zinc/60/25/69/793602569.db2.gz HKOVOXMZEKSYMR-RWSFTLGLSA-N 1 3 327.429 -1.329 20 0 EAADHO CO[C@@H]1CN(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)C[C@@H]1[NH3+] ZINC001161491382 793602120 /nfs/dbraw/zinc/60/21/20/793602120.db2.gz DXQXUQXUAIXOHL-GMXVVIOVSA-N 1 3 336.396 -1.502 20 0 EAADHO CO[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1N ZINC001161492891 793602934 /nfs/dbraw/zinc/60/29/34/793602934.db2.gz YUKQIEZKJQAIQL-GRYCIOLGSA-N 1 3 331.438 -1.415 20 0 EAADHO CO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1N ZINC001161492892 793601965 /nfs/dbraw/zinc/60/19/65/793601965.db2.gz YUKQIEZKJQAIQL-SDDRHHMPSA-N 1 3 331.438 -1.415 20 0 EAADHO CN(C1CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1)[C@H]1CCOC1 ZINC001161500651 793602146 /nfs/dbraw/zinc/60/21/46/793602146.db2.gz SSCCBNMUWDOFFV-DZGCQCFKSA-N 1 3 325.457 -1.332 20 0 EAADHO CN(C1CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1)[C@H]1CCOC1 ZINC001161500652 793602875 /nfs/dbraw/zinc/60/28/75/793602875.db2.gz SSCCBNMUWDOFFV-ZFWWWQNUSA-N 1 3 325.457 -1.332 20 0 EAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161500810 793603504 /nfs/dbraw/zinc/60/35/04/793603504.db2.gz QBGUSBFVNGWYHH-AAEUAGOBSA-N 1 3 348.407 -1.500 20 0 EAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161500812 793604141 /nfs/dbraw/zinc/60/41/41/793604141.db2.gz QBGUSBFVNGWYHH-WCQYABFASA-N 1 3 348.407 -1.500 20 0 EAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@H](N)CCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161508130 793604110 /nfs/dbraw/zinc/60/41/10/793604110.db2.gz XMJHHVOCSPJYCR-CHWSQXEVSA-N 1 3 339.440 -1.552 20 0 EAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CCC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161508131 793603806 /nfs/dbraw/zinc/60/38/06/793603806.db2.gz XMJHHVOCSPJYCR-OLZOCXBDSA-N 1 3 339.440 -1.552 20 0 EAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161508132 793604157 /nfs/dbraw/zinc/60/41/57/793604157.db2.gz XMJHHVOCSPJYCR-QWHCGFSZSA-N 1 3 339.440 -1.552 20 0 EAADHO CC(=O)N1CC2(C1)CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161508133 793603554 /nfs/dbraw/zinc/60/35/54/793603554.db2.gz XMJHHVOCSPJYCR-STQMWFEESA-N 1 3 339.440 -1.552 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@H]([NH3+])C2(COC2)C1)C(N)=O ZINC001161511131 793604019 /nfs/dbraw/zinc/60/40/19/793604019.db2.gz WYXLKBJHWJBKBG-AEJSXWLSSA-N 1 3 327.385 -2.730 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C(N)=O ZINC001161511132 793603720 /nfs/dbraw/zinc/60/37/20/793603720.db2.gz WYXLKBJHWJBKBG-IVZWLZJFSA-N 1 3 327.385 -2.730 20 0 EAADHO O=C(NCCC[NH2+]CCOCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872272 793631802 /nfs/dbraw/zinc/63/18/02/793631802.db2.gz MNHSPIHMWZJDBY-BBBYJDLNSA-N 1 3 327.425 -1.046 20 0 EAADHO O=C(NCCC[NH2+]CCOCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872273 793630835 /nfs/dbraw/zinc/63/08/35/793630835.db2.gz MNHSPIHMWZJDBY-NPCAHTBFSA-N 1 3 327.425 -1.046 20 0 EAADHO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872301 793630917 /nfs/dbraw/zinc/63/09/17/793630917.db2.gz NIGWNTKGEDVMBY-LOIXOFCESA-N 1 3 339.396 -1.860 20 0 EAADHO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872302 793631149 /nfs/dbraw/zinc/63/11/49/793631149.db2.gz NIGWNTKGEDVMBY-VTWZXRTESA-N 1 3 339.396 -1.860 20 0 EAADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872328 793631100 /nfs/dbraw/zinc/63/11/00/793631100.db2.gz OFVADRYTPGBMDB-IOSBVQAASA-N 1 3 327.425 -1.047 20 0 EAADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872329 793631979 /nfs/dbraw/zinc/63/19/79/793631979.db2.gz OFVADRYTPGBMDB-IQXANGCESA-N 1 3 327.425 -1.047 20 0 EAADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872330 793631996 /nfs/dbraw/zinc/63/19/96/793631996.db2.gz OFVADRYTPGBMDB-MYMJJRTCSA-N 1 3 327.425 -1.047 20 0 EAADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872331 793631865 /nfs/dbraw/zinc/63/18/65/793631865.db2.gz OFVADRYTPGBMDB-WJEHIRDRSA-N 1 3 327.425 -1.047 20 0 EAADHO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872396 793631225 /nfs/dbraw/zinc/63/12/25/793631225.db2.gz QNQJUUZSYWTAMF-JVWICGRDSA-N 1 3 345.465 -1.010 20 0 EAADHO CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872397 793631308 /nfs/dbraw/zinc/63/13/08/793631308.db2.gz QNQJUUZSYWTAMF-OWYJLGKBSA-N 1 3 345.465 -1.010 20 0 EAADHO CC(C)N1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001164539392 793663576 /nfs/dbraw/zinc/66/35/76/793663576.db2.gz ZQABOMILGWCVEJ-GFCCVEGCSA-N 1 3 325.417 -1.085 20 0 EAADHO CC(C)N1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001164539394 793662940 /nfs/dbraw/zinc/66/29/40/793662940.db2.gz ZQABOMILGWCVEJ-LBPRGKRZSA-N 1 3 325.417 -1.085 20 0 EAADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C ZINC001166004304 793677048 /nfs/dbraw/zinc/67/70/48/793677048.db2.gz KBFQNFDZTYNGKU-OAHLLOKOSA-N 1 3 341.456 -1.373 20 0 EAADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166634915 793684316 /nfs/dbraw/zinc/68/43/16/793684316.db2.gz YKTSSDWBKDIJSL-CYBMUJFWSA-N 1 3 339.440 -1.475 20 0 EAADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166634916 793684019 /nfs/dbraw/zinc/68/40/19/793684019.db2.gz YKTSSDWBKDIJSL-ZDUSSCGKSA-N 1 3 339.440 -1.475 20 0 EAADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001166668265 793683821 /nfs/dbraw/zinc/68/38/21/793683821.db2.gz XFZSNSHLXSYQEJ-CYBMUJFWSA-N 1 3 339.440 -1.618 20 0 EAADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001166668266 793684102 /nfs/dbraw/zinc/68/41/02/793684102.db2.gz XFZSNSHLXSYQEJ-ZDUSSCGKSA-N 1 3 339.440 -1.618 20 0 EAADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166677841 793683846 /nfs/dbraw/zinc/68/38/46/793683846.db2.gz OFWKRLYTPBDJCV-GFCCVEGCSA-N 1 3 325.413 -1.024 20 0 EAADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166677842 793684646 /nfs/dbraw/zinc/68/46/46/793684646.db2.gz OFWKRLYTPBDJCV-LBPRGKRZSA-N 1 3 325.413 -1.024 20 0 EAADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001166852351 793687149 /nfs/dbraw/zinc/68/71/49/793687149.db2.gz PTYHOWSBTXHFFV-OLZOCXBDSA-N 1 3 342.440 -1.068 20 0 EAADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)N(C)C ZINC001166852353 793687225 /nfs/dbraw/zinc/68/72/25/793687225.db2.gz PTYHOWSBTXHFFV-STQMWFEESA-N 1 3 342.440 -1.068 20 0 EAADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C ZINC001166858103 793687280 /nfs/dbraw/zinc/68/72/80/793687280.db2.gz MZZSZQICVAIHLI-LBPRGKRZSA-N 1 3 327.429 -1.619 20 0 EAADHO CN1CCC(NC(=O)c2ccc(-n3nnc(CC[NH3+])n3)nn2)CC1 ZINC001167790078 785373942 /nfs/dbraw/zinc/37/39/42/785373942.db2.gz CMXIXRCLKANEPK-UHFFFAOYSA-N 1 3 331.384 -1.223 20 0 EAADHO COc1nc(NC(=N)N2CC[NH+](C)CC2)nc(N2CCOCC2)n1 ZINC001168735307 786183961 /nfs/dbraw/zinc/18/39/61/786183961.db2.gz NMKYLLWXJZRIAX-UHFFFAOYSA-N 1 3 336.400 -1.267 20 0 EAADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001168754896 786238431 /nfs/dbraw/zinc/23/84/31/786238431.db2.gz DHJSVDJCDDHAGV-UHFFFAOYSA-N 1 3 327.429 -1.618 20 0 EAADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001168764296 786300026 /nfs/dbraw/zinc/30/00/26/786300026.db2.gz XSWKNMIMSPBOQM-CYBMUJFWSA-N 1 3 342.440 -1.066 20 0 EAADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001168764297 786299508 /nfs/dbraw/zinc/29/95/08/786299508.db2.gz XSWKNMIMSPBOQM-ZDUSSCGKSA-N 1 3 342.440 -1.066 20 0 EAADHO [NH3+][C@H]1[C@H](n2ccc(N=c3c[n+]([O-])cc[nH]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261888 787498598 /nfs/dbraw/zinc/49/85/98/787498598.db2.gz DLDKYNMAUGVIGH-FAQVLOEFSA-N 1 3 336.308 -2.573 20 0 EAADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171763278 787807908 /nfs/dbraw/zinc/80/79/08/787807908.db2.gz XHACMCWCXJDMLY-UHFFFAOYSA-N 1 3 327.429 -1.618 20 0 EAADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001171769623 787807553 /nfs/dbraw/zinc/80/75/53/787807553.db2.gz AWJCUTSGSMISDZ-CYBMUJFWSA-N 1 3 342.440 -1.066 20 0 EAADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001171769624 787807600 /nfs/dbraw/zinc/80/76/00/787807600.db2.gz AWJCUTSGSMISDZ-ZDUSSCGKSA-N 1 3 342.440 -1.066 20 0 EAADHO COC(=O)[C@@H]1C[C@H](NCCC[NH+](CCO)CCO)C[C@@H]1C(=O)OC ZINC001173563928 787822988 /nfs/dbraw/zinc/82/29/88/787822988.db2.gz DSDNQYINAGVYBU-BTTYYORXSA-N 1 3 346.424 -1.007 20 0 EAADHO COC(=O)[C@@H]1C[C@@H](NCCC[NH+](CCO)CCO)C[C@@H]1C(=O)OC ZINC001173563933 787823373 /nfs/dbraw/zinc/82/33/73/787823373.db2.gz DSDNQYINAGVYBU-ZSOGYDGISA-N 1 3 346.424 -1.007 20 0 EAADHO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176169601 787855581 /nfs/dbraw/zinc/85/55/81/787855581.db2.gz NARZVECYZHUJDJ-GFCCVEGCSA-N 1 3 325.417 -1.226 20 0 EAADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176169604 787855642 /nfs/dbraw/zinc/85/56/42/787855642.db2.gz NARZVECYZHUJDJ-LBPRGKRZSA-N 1 3 325.417 -1.226 20 0 EAADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176972344 787885013 /nfs/dbraw/zinc/88/50/13/787885013.db2.gz XINQXVNOHDJJJY-UHFFFAOYSA-N 1 3 327.429 -1.619 20 0 EAADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001176975057 787885328 /nfs/dbraw/zinc/88/53/28/787885328.db2.gz JMPZWBQMRRPBRT-CYBMUJFWSA-N 1 3 342.440 -1.068 20 0 EAADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001176975058 787884967 /nfs/dbraw/zinc/88/49/67/787884967.db2.gz JMPZWBQMRRPBRT-ZDUSSCGKSA-N 1 3 342.440 -1.068 20 0 EAADHO C[C@H]1[C@@H](NCC(=O)N2CCNC(=O)C2)CCN1C(=O)CC[NH+](C)C ZINC001179481105 787947444 /nfs/dbraw/zinc/94/74/44/787947444.db2.gz AYTGMPOPPKQEQI-STQMWFEESA-N 1 3 339.440 -1.525 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933616 787955369 /nfs/dbraw/zinc/95/53/69/787955369.db2.gz JUMRDDYJJIDJAZ-RYUDHWBXSA-N 1 3 343.428 -1.401 20 0 EAADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934287 787954664 /nfs/dbraw/zinc/95/46/64/787954664.db2.gz XDGCEHDIYRBSAP-QWRGUYRKSA-N 1 3 329.401 -1.662 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124742 787959189 /nfs/dbraw/zinc/95/91/89/787959189.db2.gz PXPAEOPCDIXIGB-SRVKXCTJSA-N 1 3 325.413 -1.027 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124742 787959182 /nfs/dbraw/zinc/95/91/82/787959182.db2.gz PXPAEOPCDIXIGB-SRVKXCTJSA-N 1 3 325.413 -1.027 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124743 787959026 /nfs/dbraw/zinc/95/90/26/787959026.db2.gz PXPAEOPCDIXIGB-TUAOUCFPSA-N 1 3 325.413 -1.027 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124743 787959019 /nfs/dbraw/zinc/95/90/19/787959019.db2.gz PXPAEOPCDIXIGB-TUAOUCFPSA-N 1 3 325.413 -1.027 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623196 789690165 /nfs/dbraw/zinc/69/01/65/789690165.db2.gz GFMDRVMNXHFOCL-CHWSQXEVSA-N 1 3 337.424 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623197 789690996 /nfs/dbraw/zinc/69/09/96/789690996.db2.gz GFMDRVMNXHFOCL-OLZOCXBDSA-N 1 3 337.424 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676341 789693108 /nfs/dbraw/zinc/69/31/08/789693108.db2.gz IJOAGESMJAGJJZ-IJLUTSLNSA-N 1 3 325.413 -1.027 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676341 789693100 /nfs/dbraw/zinc/69/31/00/789693100.db2.gz IJOAGESMJAGJJZ-IJLUTSLNSA-N 1 3 325.413 -1.027 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230472 790390198 /nfs/dbraw/zinc/39/01/98/790390198.db2.gz UTMQTZHBTBXVMT-LLVKDONJSA-N 1 3 325.413 -1.026 20 0 EAADHO Cn1c(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc(=O)n(C)c1=O ZINC001185400603 790396019 /nfs/dbraw/zinc/39/60/19/790396019.db2.gz FHOZCJNFMGAHBF-GFCCVEGCSA-N 1 3 337.424 -1.274 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401233 790397382 /nfs/dbraw/zinc/39/73/82/790397382.db2.gz NIBSFKSWNDAXGP-GFCCVEGCSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659718 790402889 /nfs/dbraw/zinc/40/28/89/790402889.db2.gz PDVOUOAFNIPTLU-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659718 790402883 /nfs/dbraw/zinc/40/28/83/790402883.db2.gz PDVOUOAFNIPTLU-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659719 790403692 /nfs/dbraw/zinc/40/36/92/790403692.db2.gz PDVOUOAFNIPTLU-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659719 790403688 /nfs/dbraw/zinc/40/36/88/790403688.db2.gz PDVOUOAFNIPTLU-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001185926362 790414376 /nfs/dbraw/zinc/41/43/76/790414376.db2.gz SUVACHMEBVEDDX-DGCLKSJQSA-N 1 3 349.391 -1.347 20 0 EAADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001185926367 790413962 /nfs/dbraw/zinc/41/39/62/790413962.db2.gz SUVACHMEBVEDDX-YPMHNXCESA-N 1 3 349.391 -1.347 20 0 EAADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001186615483 790441757 /nfs/dbraw/zinc/44/17/57/790441757.db2.gz FTHZSBJMZUAPIL-LLVKDONJSA-N 1 3 341.412 -1.517 20 0 EAADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106503 790462517 /nfs/dbraw/zinc/46/25/17/790462517.db2.gz IOYBTSAMRDXFBE-NWDGAFQWSA-N 1 3 343.428 -1.401 20 0 EAADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106504 790461730 /nfs/dbraw/zinc/46/17/30/790461730.db2.gz IOYBTSAMRDXFBE-VXGBXAGGSA-N 1 3 343.428 -1.401 20 0 EAADHO C[C@@H](N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187107035 790461869 /nfs/dbraw/zinc/46/18/69/790461869.db2.gz SWVMODJAYXQMER-GHMZBOCLSA-N 1 3 329.401 -1.662 20 0 EAADHO C[C@H](N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187107040 790460759 /nfs/dbraw/zinc/46/07/59/790460759.db2.gz SWVMODJAYXQMER-WDEREUQCSA-N 1 3 329.401 -1.662 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187107261 790461824 /nfs/dbraw/zinc/46/18/24/790461824.db2.gz ZGFYVXQBOZFKHT-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187107261 790461815 /nfs/dbraw/zinc/46/18/15/790461815.db2.gz ZGFYVXQBOZFKHT-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187107262 790462380 /nfs/dbraw/zinc/46/23/80/790462380.db2.gz ZGFYVXQBOZFKHT-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187107262 790462371 /nfs/dbraw/zinc/46/23/71/790462371.db2.gz ZGFYVXQBOZFKHT-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115292 790461517 /nfs/dbraw/zinc/46/15/17/790461517.db2.gz IQLPFNUOSLOPCU-GFCCVEGCSA-N 1 3 343.428 -1.399 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115314 790461401 /nfs/dbraw/zinc/46/14/01/790461401.db2.gz IXANNBWEOYAEOV-LLVKDONJSA-N 1 3 329.401 -1.789 20 0 EAADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115602 790462254 /nfs/dbraw/zinc/46/22/54/790462254.db2.gz OKGVSIPQDGAPHR-CQSZACIVSA-N 1 3 344.456 -1.092 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001187115766 790460798 /nfs/dbraw/zinc/46/07/98/790460798.db2.gz RMSOAJDFPNVFPC-CQSZACIVSA-N 1 3 342.440 -1.386 20 0 EAADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187116003 790461315 /nfs/dbraw/zinc/46/13/15/790461315.db2.gz YLMCYIMUGOERMY-CQSZACIVSA-N 1 3 344.456 -1.092 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001187121148 790463374 /nfs/dbraw/zinc/46/33/74/790463374.db2.gz FCIPZDWEEDRCEW-GFCCVEGCSA-N 1 3 336.458 -1.696 20 0 EAADHO CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121293 790463925 /nfs/dbraw/zinc/46/39/25/790463925.db2.gz GPPPZRKMZZEVON-GFCCVEGCSA-N 1 3 330.454 -1.178 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001187121838 790464576 /nfs/dbraw/zinc/46/45/76/790464576.db2.gz NPVYHNLYSJTMMH-NEPJUHHUSA-N 1 3 326.397 -1.440 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001187121840 790464529 /nfs/dbraw/zinc/46/45/29/790464529.db2.gz NPVYHNLYSJTMMH-VXGBXAGGSA-N 1 3 326.397 -1.440 20 0 EAADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187817311 790488621 /nfs/dbraw/zinc/48/86/21/790488621.db2.gz FANDMFCIIPCSCV-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817311 790488616 /nfs/dbraw/zinc/48/86/16/790488616.db2.gz FANDMFCIIPCSCV-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187817312 790489380 /nfs/dbraw/zinc/48/93/80/790489380.db2.gz FANDMFCIIPCSCV-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817312 790489379 /nfs/dbraw/zinc/48/93/79/790489379.db2.gz FANDMFCIIPCSCV-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001196184675 791074366 /nfs/dbraw/zinc/07/43/66/791074366.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001196184675 791074362 /nfs/dbraw/zinc/07/43/62/791074362.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196184675 791074356 /nfs/dbraw/zinc/07/43/56/791074356.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196184675 791074351 /nfs/dbraw/zinc/07/43/51/791074351.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001196184675 791074345 /nfs/dbraw/zinc/07/43/45/791074345.db2.gz DISUSELOKMOGBB-BFHYXJOUSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001196184676 791074286 /nfs/dbraw/zinc/07/42/86/791074286.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001196184676 791074282 /nfs/dbraw/zinc/07/42/82/791074282.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196184676 791074277 /nfs/dbraw/zinc/07/42/77/791074277.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196184676 791074273 /nfs/dbraw/zinc/07/42/73/791074273.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001196184676 791074270 /nfs/dbraw/zinc/07/42/70/791074270.db2.gz DISUSELOKMOGBB-MGPQQGTHSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001197833254 791179329 /nfs/dbraw/zinc/17/93/29/791179329.db2.gz DZVQAMJSHPSEGF-NJZAAPMLSA-N 1 3 338.408 -1.070 20 0 EAADHO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001197833254 791179323 /nfs/dbraw/zinc/17/93/23/791179323.db2.gz DZVQAMJSHPSEGF-NJZAAPMLSA-N 1 3 338.408 -1.070 20 0 EAADHO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001197833290 791179549 /nfs/dbraw/zinc/17/95/49/791179549.db2.gz DZVQAMJSHPSEGF-UXIGCNINSA-N 1 3 338.408 -1.070 20 0 EAADHO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001197833290 791179542 /nfs/dbraw/zinc/17/95/42/791179542.db2.gz DZVQAMJSHPSEGF-UXIGCNINSA-N 1 3 338.408 -1.070 20 0 EAADHO COCCOC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672749 791228235 /nfs/dbraw/zinc/22/82/35/791228235.db2.gz SAGNDGGKOXAHSM-RBSFLKMASA-N 1 3 345.440 -1.733 20 0 EAADHO COCCOC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672756 791229258 /nfs/dbraw/zinc/22/92/58/791229258.db2.gz SAGNDGGKOXAHSM-RRFJBIMHSA-N 1 3 345.440 -1.733 20 0 EAADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001200796400 791338610 /nfs/dbraw/zinc/33/86/10/791338610.db2.gz XJFUWTPLIIPVFG-NWDGAFQWSA-N 1 3 343.428 -1.271 20 0 EAADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001200796401 791338986 /nfs/dbraw/zinc/33/89/86/791338986.db2.gz XJFUWTPLIIPVFG-VXGBXAGGSA-N 1 3 343.428 -1.271 20 0 EAADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001201275838 791362205 /nfs/dbraw/zinc/36/22/05/791362205.db2.gz CCMGMRRKFMQJTA-GFCCVEGCSA-N 1 3 343.428 -1.270 20 0 EAADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001201275839 791362221 /nfs/dbraw/zinc/36/22/21/791362221.db2.gz CCMGMRRKFMQJTA-LBPRGKRZSA-N 1 3 343.428 -1.270 20 0 EAADHO C[C@@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319789 791364575 /nfs/dbraw/zinc/36/45/75/791364575.db2.gz UKKZPQRYHYZYKF-NEPJUHHUSA-N 1 3 343.428 -1.271 20 0 EAADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319790 791365316 /nfs/dbraw/zinc/36/53/16/791365316.db2.gz UKKZPQRYHYZYKF-NWDGAFQWSA-N 1 3 343.428 -1.271 20 0 EAADHO C[C@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319791 791364843 /nfs/dbraw/zinc/36/48/43/791364843.db2.gz UKKZPQRYHYZYKF-RYUDHWBXSA-N 1 3 343.428 -1.271 20 0 EAADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC(N)=O ZINC001201319792 791365146 /nfs/dbraw/zinc/36/51/46/791365146.db2.gz UKKZPQRYHYZYKF-VXGBXAGGSA-N 1 3 343.428 -1.271 20 0 EAADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001201334464 791366055 /nfs/dbraw/zinc/36/60/55/791366055.db2.gz IKBYQWHRFHUQRH-CHWSQXEVSA-N 1 3 340.424 -1.050 20 0 EAADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001201334465 791366702 /nfs/dbraw/zinc/36/67/02/791366702.db2.gz IKBYQWHRFHUQRH-OLZOCXBDSA-N 1 3 340.424 -1.050 20 0 EAADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001201334466 791366784 /nfs/dbraw/zinc/36/67/84/791366784.db2.gz IKBYQWHRFHUQRH-QWHCGFSZSA-N 1 3 340.424 -1.050 20 0 EAADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001201334467 791366902 /nfs/dbraw/zinc/36/69/02/791366902.db2.gz IKBYQWHRFHUQRH-STQMWFEESA-N 1 3 340.424 -1.050 20 0 EAADHO CNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336183 791366468 /nfs/dbraw/zinc/36/64/68/791366468.db2.gz SNGZIHRYYLDRHO-GFCCVEGCSA-N 1 3 343.428 -1.399 20 0 EAADHO CNC(=O)NC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336186 791366509 /nfs/dbraw/zinc/36/65/09/791366509.db2.gz SNGZIHRYYLDRHO-LBPRGKRZSA-N 1 3 343.428 -1.399 20 0 EAADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001201336640 791367762 /nfs/dbraw/zinc/36/77/62/791367762.db2.gz XFVVABJBMDZBCZ-LLVKDONJSA-N 1 3 329.401 -1.660 20 0 EAADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001201336641 791367631 /nfs/dbraw/zinc/36/76/31/791367631.db2.gz XFVVABJBMDZBCZ-NSHDSACASA-N 1 3 329.401 -1.660 20 0 EAADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001201412221 791369455 /nfs/dbraw/zinc/36/94/55/791369455.db2.gz XJFUWTPLIIPVFG-NEPJUHHUSA-N 1 3 343.428 -1.271 20 0 EAADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001201412223 791369911 /nfs/dbraw/zinc/36/99/11/791369911.db2.gz XJFUWTPLIIPVFG-RYUDHWBXSA-N 1 3 343.428 -1.271 20 0 EAADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201677459 791378234 /nfs/dbraw/zinc/37/82/34/791378234.db2.gz CEBBXTRHWFKPMP-GFCCVEGCSA-N 1 3 343.428 -1.270 20 0 EAADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201677460 791377933 /nfs/dbraw/zinc/37/79/33/791377933.db2.gz CEBBXTRHWFKPMP-LBPRGKRZSA-N 1 3 343.428 -1.270 20 0 EAADHO C[NH+]1CCC(OCC(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001201727391 791381774 /nfs/dbraw/zinc/38/17/74/791381774.db2.gz WUCKOXPSAXWZFG-AWEZNQCLSA-N 1 3 342.440 -1.210 20 0 EAADHO C[NH+]1CCC(OCC(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC1 ZINC001201727393 791380899 /nfs/dbraw/zinc/38/08/99/791380899.db2.gz WUCKOXPSAXWZFG-CQSZACIVSA-N 1 3 342.440 -1.210 20 0 EAADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001201809032 791383875 /nfs/dbraw/zinc/38/38/75/791383875.db2.gz JIYTWFXXXUVEMH-GFCCVEGCSA-N 1 3 343.428 -1.270 20 0 EAADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001201809032 791383867 /nfs/dbraw/zinc/38/38/67/791383867.db2.gz JIYTWFXXXUVEMH-GFCCVEGCSA-N 1 3 343.428 -1.270 20 0 EAADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001201809034 791383401 /nfs/dbraw/zinc/38/34/01/791383401.db2.gz JIYTWFXXXUVEMH-LBPRGKRZSA-N 1 3 343.428 -1.270 20 0 EAADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001201809034 791383398 /nfs/dbraw/zinc/38/33/98/791383398.db2.gz JIYTWFXXXUVEMH-LBPRGKRZSA-N 1 3 343.428 -1.270 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001201862537 791385245 /nfs/dbraw/zinc/38/52/45/791385245.db2.gz DRPMCVCNMFJKQK-KBPBESRZSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201862539 791385876 /nfs/dbraw/zinc/38/58/76/791385876.db2.gz DRPMCVCNMFJKQK-KGLIPLIRSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201862540 791385363 /nfs/dbraw/zinc/38/53/63/791385363.db2.gz DRPMCVCNMFJKQK-UONOGXRCSA-N 1 3 342.440 -1.340 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001201862541 791384817 /nfs/dbraw/zinc/38/48/17/791384817.db2.gz DRPMCVCNMFJKQK-ZIAGYGMSSA-N 1 3 342.440 -1.340 20 0 EAADHO C[C@@H](NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862546 791384563 /nfs/dbraw/zinc/38/45/63/791384563.db2.gz DUMHZMOQURDAHI-CHWSQXEVSA-N 1 3 330.429 -1.355 20 0 EAADHO C[C@@H](NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862547 791385709 /nfs/dbraw/zinc/38/57/09/791385709.db2.gz DUMHZMOQURDAHI-OLZOCXBDSA-N 1 3 330.429 -1.355 20 0 EAADHO C[C@H](NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862548 791385052 /nfs/dbraw/zinc/38/50/52/791385052.db2.gz DUMHZMOQURDAHI-QWHCGFSZSA-N 1 3 330.429 -1.355 20 0 EAADHO C[C@H](NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201862549 791384708 /nfs/dbraw/zinc/38/47/08/791384708.db2.gz DUMHZMOQURDAHI-STQMWFEESA-N 1 3 330.429 -1.355 20 0 EAADHO CCNC(=O)CNC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863396 791384984 /nfs/dbraw/zinc/38/49/84/791384984.db2.gz MIIMDZGPFXBADA-AWEZNQCLSA-N 1 3 344.456 -1.092 20 0 EAADHO CCNC(=O)CNC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863397 791385263 /nfs/dbraw/zinc/38/52/63/791385263.db2.gz MIIMDZGPFXBADA-CQSZACIVSA-N 1 3 344.456 -1.092 20 0 EAADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863768 791384761 /nfs/dbraw/zinc/38/47/61/791384761.db2.gz PJXNFMDBSJCRKA-AWEZNQCLSA-N 1 3 344.456 -1.140 20 0 EAADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863772 791385131 /nfs/dbraw/zinc/38/51/31/791385131.db2.gz PJXNFMDBSJCRKA-CQSZACIVSA-N 1 3 344.456 -1.140 20 0 EAADHO CNC(=O)CNC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864043 791385608 /nfs/dbraw/zinc/38/56/08/791385608.db2.gz SFQRVUJTKRDJRJ-CYBMUJFWSA-N 1 3 330.429 -1.482 20 0 EAADHO CNC(=O)CNC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864044 791384468 /nfs/dbraw/zinc/38/44/68/791384468.db2.gz SFQRVUJTKRDJRJ-ZDUSSCGKSA-N 1 3 330.429 -1.482 20 0 EAADHO CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864390 791385858 /nfs/dbraw/zinc/38/58/58/791385858.db2.gz WHQZPJLQYXDIFV-KBPBESRZSA-N 1 3 344.456 -1.094 20 0 EAADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864391 791385284 /nfs/dbraw/zinc/38/52/84/791385284.db2.gz WHQZPJLQYXDIFV-KGLIPLIRSA-N 1 3 344.456 -1.094 20 0 EAADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864392 791385666 /nfs/dbraw/zinc/38/56/66/791385666.db2.gz WHQZPJLQYXDIFV-UONOGXRCSA-N 1 3 344.456 -1.094 20 0 EAADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864393 791385553 /nfs/dbraw/zinc/38/55/53/791385553.db2.gz WHQZPJLQYXDIFV-ZIAGYGMSSA-N 1 3 344.456 -1.094 20 0 EAADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201931664 791389944 /nfs/dbraw/zinc/38/99/44/791389944.db2.gz NSKUXPTYMITJFR-GFCCVEGCSA-N 1 3 343.428 -1.270 20 0 EAADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201931665 791389904 /nfs/dbraw/zinc/38/99/04/791389904.db2.gz NSKUXPTYMITJFR-LBPRGKRZSA-N 1 3 343.428 -1.270 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057768 791397041 /nfs/dbraw/zinc/39/70/41/791397041.db2.gz HIMUXDICRMLPPM-NEPJUHHUSA-N 1 3 341.412 -1.660 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057768 791397032 /nfs/dbraw/zinc/39/70/32/791397032.db2.gz HIMUXDICRMLPPM-NEPJUHHUSA-N 1 3 341.412 -1.660 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057769 791396642 /nfs/dbraw/zinc/39/66/42/791396642.db2.gz HIMUXDICRMLPPM-NWDGAFQWSA-N 1 3 341.412 -1.660 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057769 791396636 /nfs/dbraw/zinc/39/66/36/791396636.db2.gz HIMUXDICRMLPPM-NWDGAFQWSA-N 1 3 341.412 -1.660 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057770 791397228 /nfs/dbraw/zinc/39/72/28/791397228.db2.gz HIMUXDICRMLPPM-RYUDHWBXSA-N 1 3 341.412 -1.660 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057770 791397217 /nfs/dbraw/zinc/39/72/17/791397217.db2.gz HIMUXDICRMLPPM-RYUDHWBXSA-N 1 3 341.412 -1.660 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057771 791396487 /nfs/dbraw/zinc/39/64/87/791396487.db2.gz HIMUXDICRMLPPM-VXGBXAGGSA-N 1 3 341.412 -1.660 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](CNCC(=O)NC(N)=O)C2)C1 ZINC001202057771 791396485 /nfs/dbraw/zinc/39/64/85/791396485.db2.gz HIMUXDICRMLPPM-VXGBXAGGSA-N 1 3 341.412 -1.660 20 0 EAADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202165562 791401560 /nfs/dbraw/zinc/40/15/60/791401560.db2.gz RQSRITJJUWOVHL-GFCCVEGCSA-N 1 3 343.428 -1.271 20 0 EAADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202165563 791401744 /nfs/dbraw/zinc/40/17/44/791401744.db2.gz RQSRITJJUWOVHL-LBPRGKRZSA-N 1 3 343.428 -1.271 20 0 EAADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001209443813 793818466 /nfs/dbraw/zinc/81/84/66/793818466.db2.gz BOZRRGUUECTESB-CYBMUJFWSA-N 1 3 339.440 -1.523 20 0 EAADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001209443815 793818061 /nfs/dbraw/zinc/81/80/61/793818061.db2.gz BOZRRGUUECTESB-ZDUSSCGKSA-N 1 3 339.440 -1.523 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001210684867 793846072 /nfs/dbraw/zinc/84/60/72/793846072.db2.gz JTWVACCGMFEAHP-LLVKDONJSA-N 1 3 329.401 -1.660 20 0 EAADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001210684868 793847213 /nfs/dbraw/zinc/84/72/13/793847213.db2.gz JTWVACCGMFEAHP-NSHDSACASA-N 1 3 329.401 -1.660 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685066 793847939 /nfs/dbraw/zinc/84/79/39/793847939.db2.gz MDHXCLLOLNJEDC-GFCCVEGCSA-N 1 3 343.428 -1.399 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685067 793847471 /nfs/dbraw/zinc/84/74/71/793847471.db2.gz MDHXCLLOLNJEDC-LBPRGKRZSA-N 1 3 343.428 -1.399 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065608 793859715 /nfs/dbraw/zinc/85/97/15/793859715.db2.gz XWTGKUHNZKSKDV-NEPJUHHUSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211065608 793859704 /nfs/dbraw/zinc/85/97/04/793859704.db2.gz XWTGKUHNZKSKDV-NEPJUHHUSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065609 793859014 /nfs/dbraw/zinc/85/90/14/793859014.db2.gz XWTGKUHNZKSKDV-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211065609 793859009 /nfs/dbraw/zinc/85/90/09/793859009.db2.gz XWTGKUHNZKSKDV-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065610 793860121 /nfs/dbraw/zinc/86/01/21/793860121.db2.gz XWTGKUHNZKSKDV-RYUDHWBXSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211065610 793860111 /nfs/dbraw/zinc/86/01/11/793860111.db2.gz XWTGKUHNZKSKDV-RYUDHWBXSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065611 793858858 /nfs/dbraw/zinc/85/88/58/793858858.db2.gz XWTGKUHNZKSKDV-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211065611 793858856 /nfs/dbraw/zinc/85/88/56/793858856.db2.gz XWTGKUHNZKSKDV-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214344744 793932756 /nfs/dbraw/zinc/93/27/56/793932756.db2.gz XQBMMDRDGUHNLD-IJLUTSLNSA-N 1 3 325.413 -1.027 20 0 EAADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214344746 793932534 /nfs/dbraw/zinc/93/25/34/793932534.db2.gz XQBMMDRDGUHNLD-UTUOFQBUSA-N 1 3 325.413 -1.027 20 0 EAADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NC(N)=O ZINC001214646298 793939303 /nfs/dbraw/zinc/93/93/03/793939303.db2.gz OZLDRHSTJSHSOH-KGYLQXTDSA-N 1 3 337.424 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)NC(N)=O ZINC001214646299 793939940 /nfs/dbraw/zinc/93/99/40/793939940.db2.gz OZLDRHSTJSHSOH-RAIGVLPGSA-N 1 3 337.424 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC(N)=O ZINC001214664381 793939468 /nfs/dbraw/zinc/93/94/68/793939468.db2.gz ZWIMZEVJYCBDLQ-DDHJBXDOSA-N 1 3 325.413 -1.042 20 0 EAADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC(N)=O ZINC001214664381 793939463 /nfs/dbraw/zinc/93/94/63/793939463.db2.gz ZWIMZEVJYCBDLQ-DDHJBXDOSA-N 1 3 325.413 -1.042 20 0 EAADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214856017 793946700 /nfs/dbraw/zinc/94/67/00/793946700.db2.gz UWDZNGDHSLSFBG-IRUJWGPZSA-N 1 3 325.413 -1.042 20 0 EAADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214856018 793946520 /nfs/dbraw/zinc/94/65/20/793946520.db2.gz UWDZNGDHSLSFBG-XWIASGKRSA-N 1 3 325.413 -1.042 20 0 EAADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215416056 793956975 /nfs/dbraw/zinc/95/69/75/793956975.db2.gz OYWDXPIGPRZTQA-GHMZBOCLSA-N 1 3 325.413 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215453911 793957595 /nfs/dbraw/zinc/95/75/95/793957595.db2.gz YMLQTNQFWMUEJT-ZYHUDNBSSA-N 1 3 325.413 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001215456122 793957885 /nfs/dbraw/zinc/95/78/85/793957885.db2.gz OPPYSDJNGXINRR-CHWSQXEVSA-N 1 3 339.440 -1.667 20 0 EAADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215540615 793957733 /nfs/dbraw/zinc/95/77/33/793957733.db2.gz ODAGCBYKHVEGQQ-IJLUTSLNSA-N 1 3 325.413 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215540616 793958288 /nfs/dbraw/zinc/95/82/88/793958288.db2.gz ODAGCBYKHVEGQQ-QJPTWQEYSA-N 1 3 325.413 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O ZINC001216382793 793966632 /nfs/dbraw/zinc/96/66/32/793966632.db2.gz CUPGUHDCDNJBJZ-GRYCIOLGSA-N 1 3 325.413 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O ZINC001216382793 793966627 /nfs/dbraw/zinc/96/66/27/793966627.db2.gz CUPGUHDCDNJBJZ-GRYCIOLGSA-N 1 3 325.413 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O ZINC001216382794 793966962 /nfs/dbraw/zinc/96/69/62/793966962.db2.gz CUPGUHDCDNJBJZ-IJLUTSLNSA-N 1 3 325.413 -1.040 20 0 EAADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(N)=O ZINC001216382794 793966953 /nfs/dbraw/zinc/96/69/53/793966953.db2.gz CUPGUHDCDNJBJZ-IJLUTSLNSA-N 1 3 325.413 -1.040 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400901 793967830 /nfs/dbraw/zinc/96/78/30/793967830.db2.gz DWLRBMWYZMJQTI-VXGBXAGGSA-N 1 3 343.428 -1.543 20 0 EAADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NC(N)=O ZINC001216402314 793968742 /nfs/dbraw/zinc/96/87/42/793968742.db2.gz ZESJUAJDQMLCFY-GHMZBOCLSA-N 1 3 329.401 -1.804 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405667 793969064 /nfs/dbraw/zinc/96/90/64/793969064.db2.gz ONGVMLXMRZPHJZ-VXGBXAGGSA-N 1 3 337.424 -1.026 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754337 793971610 /nfs/dbraw/zinc/97/16/10/793971610.db2.gz PWHGFNUELVBLAH-GRYCIOLGSA-N 1 3 325.413 -1.170 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754337 793971601 /nfs/dbraw/zinc/97/16/01/793971601.db2.gz PWHGFNUELVBLAH-GRYCIOLGSA-N 1 3 325.413 -1.170 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754338 793971519 /nfs/dbraw/zinc/97/15/19/793971519.db2.gz PWHGFNUELVBLAH-IJLUTSLNSA-N 1 3 325.413 -1.170 20 0 EAADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754338 793971515 /nfs/dbraw/zinc/97/15/15/793971515.db2.gz PWHGFNUELVBLAH-IJLUTSLNSA-N 1 3 325.413 -1.170 20 0 EAADHO CN1CCN(c2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ncn2)CC1 ZINC001218571946 794015239 /nfs/dbraw/zinc/01/52/39/794015239.db2.gz CXFPTXKWIKKQHB-GFCCVEGCSA-N 1 3 331.424 -1.024 20 0 EAADHO CN1CCN(c2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ncn2)CC1 ZINC001218571948 794014473 /nfs/dbraw/zinc/01/44/73/794014473.db2.gz CXFPTXKWIKKQHB-LBPRGKRZSA-N 1 3 331.424 -1.024 20 0 EAADHO CN1CCN(c2ncc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cn2)CC1 ZINC001218580988 794014283 /nfs/dbraw/zinc/01/42/83/794014283.db2.gz ZUWBZIZSRPVHJH-CYBMUJFWSA-N 1 3 331.424 -1.024 20 0 EAADHO CN1CCN(c2ncc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cn2)CC1 ZINC001218580989 794015116 /nfs/dbraw/zinc/01/51/16/794015116.db2.gz ZUWBZIZSRPVHJH-ZDUSSCGKSA-N 1 3 331.424 -1.024 20 0 EAADHO Nc1cn(C(=O)[C@@H]2CNCCN2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620771 794016103 /nfs/dbraw/zinc/01/61/03/794016103.db2.gz QYVBUGYQIIFKAE-HNNXBMFYSA-N 1 3 334.424 -1.495 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1cnn(C2C[NH2+]C2)c1)C(N)=O ZINC001218639698 794018532 /nfs/dbraw/zinc/01/85/32/794018532.db2.gz AUKGSDKPQSZQRX-GZMMTYOYSA-N 1 3 337.384 -1.937 20 0 EAADHO O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001218641554 794017607 /nfs/dbraw/zinc/01/76/07/794017607.db2.gz TYNWJLCGHMUMJF-LLVKDONJSA-N 1 3 325.394 -1.257 20 0 EAADHO O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001218641561 794018658 /nfs/dbraw/zinc/01/86/58/794018658.db2.gz TYNWJLCGHMUMJF-NSHDSACASA-N 1 3 325.394 -1.257 20 0 EAADHO O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218668824 794017868 /nfs/dbraw/zinc/01/78/68/794017868.db2.gz IZQRZEHEHRHCTI-AWEZNQCLSA-N 1 3 334.424 -1.037 20 0 EAADHO O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218668825 794018755 /nfs/dbraw/zinc/01/87/55/794018755.db2.gz IZQRZEHEHRHCTI-CQSZACIVSA-N 1 3 334.424 -1.037 20 0 EAADHO C[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218774792 794024109 /nfs/dbraw/zinc/02/41/09/794024109.db2.gz BJOWXPJUJWMQMV-HLTSFMKQSA-N 1 3 328.804 -1.023 20 0 EAADHO C[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218774793 794025036 /nfs/dbraw/zinc/02/50/36/794025036.db2.gz BJOWXPJUJWMQMV-HRDYMLBCSA-N 1 3 328.804 -1.023 20 0 EAADHO C[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218774794 794024403 /nfs/dbraw/zinc/02/44/03/794024403.db2.gz BJOWXPJUJWMQMV-IWSPIJDZSA-N 1 3 328.804 -1.023 20 0 EAADHO C[C@@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218774795 794024089 /nfs/dbraw/zinc/02/40/89/794024089.db2.gz BJOWXPJUJWMQMV-VGMNWLOBSA-N 1 3 328.804 -1.023 20 0 EAADHO NC[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777989 794024424 /nfs/dbraw/zinc/02/44/24/794024424.db2.gz RGECCRCCYWCADV-CIUDSAMLSA-N 1 3 344.803 -2.050 20 0 EAADHO NC[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777995 794024978 /nfs/dbraw/zinc/02/49/78/794024978.db2.gz RGECCRCCYWCADV-HRDYMLBCSA-N 1 3 344.803 -2.050 20 0 EAADHO NC[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777997 794024587 /nfs/dbraw/zinc/02/45/87/794024587.db2.gz RGECCRCCYWCADV-VGMNWLOBSA-N 1 3 344.803 -2.050 20 0 EAADHO NC[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777999 794025125 /nfs/dbraw/zinc/02/51/25/794025125.db2.gz RGECCRCCYWCADV-XHNCKOQMSA-N 1 3 344.803 -2.050 20 0 EAADHO NC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779217 794024283 /nfs/dbraw/zinc/02/42/83/794024283.db2.gz VXHCNYHRNJDINJ-CIUDSAMLSA-N 1 3 343.819 -2.084 20 0 EAADHO NC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218779229 794024786 /nfs/dbraw/zinc/02/47/86/794024786.db2.gz VXHCNYHRNJDINJ-HRDYMLBCSA-N 1 3 343.819 -2.084 20 0 EAADHO NC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218779234 794024485 /nfs/dbraw/zinc/02/44/85/794024485.db2.gz VXHCNYHRNJDINJ-VGMNWLOBSA-N 1 3 343.819 -2.084 20 0 EAADHO NC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218779242 794025058 /nfs/dbraw/zinc/02/50/58/794025058.db2.gz VXHCNYHRNJDINJ-XHNCKOQMSA-N 1 3 343.819 -2.084 20 0 EAADHO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218915381 794029107 /nfs/dbraw/zinc/02/91/07/794029107.db2.gz OMXZPKHTOAABCC-SECBINFHSA-N 1 3 325.394 -1.336 20 0 EAADHO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218915387 794027811 /nfs/dbraw/zinc/02/78/11/794027811.db2.gz OMXZPKHTOAABCC-VIFPVBQESA-N 1 3 325.394 -1.336 20 0 EAADHO C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219557999 794131193 /nfs/dbraw/zinc/13/11/93/794131193.db2.gz IXVQPUVTKQDMHH-XQHKEYJVSA-N 1 3 330.429 -1.708 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCn1ccnn1 ZINC001219565712 794134619 /nfs/dbraw/zinc/13/46/19/794134619.db2.gz MPRFWNYOFQIQSC-STQMWFEESA-N 1 3 337.428 -1.158 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)COC1(C)C ZINC001219595655 794139630 /nfs/dbraw/zinc/13/96/30/794139630.db2.gz JTMDPIKIFBCOGI-IUCAKERBSA-N 1 3 336.414 -1.956 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612950 794143052 /nfs/dbraw/zinc/14/30/52/794143052.db2.gz HIZCWIMLNRDGBM-HFJPGXAFSA-N 1 3 339.318 -1.896 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612951 794142947 /nfs/dbraw/zinc/14/29/47/794142947.db2.gz HIZCWIMLNRDGBM-OKTBNZSVSA-N 1 3 339.318 -1.896 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1)C(N)=O ZINC001219648836 794150542 /nfs/dbraw/zinc/15/05/42/794150542.db2.gz BARPUACSMPEWMM-FIQHERPVSA-N 1 3 327.429 -1.554 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1)C(N)=O ZINC001219648837 794149565 /nfs/dbraw/zinc/14/95/65/794149565.db2.gz BARPUACSMPEWMM-NNYUYHANSA-N 1 3 327.429 -1.554 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1)C(N)=O ZINC001219648838 794149843 /nfs/dbraw/zinc/14/98/43/794149843.db2.gz BARPUACSMPEWMM-NOOOWODRSA-N 1 3 327.429 -1.554 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1)C(N)=O ZINC001219648839 794150217 /nfs/dbraw/zinc/15/02/17/794150217.db2.gz BARPUACSMPEWMM-WRWGMCAJSA-N 1 3 327.429 -1.554 20 0 EAADHO O=C(NCCS(=O)(=O)N1CCNCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219676832 794154833 /nfs/dbraw/zinc/15/48/33/794154833.db2.gz XOYOXXZYAMUZOT-TZMCWYRMSA-N 1 3 345.469 -2.463 20 0 EAADHO O=C(NCCS(=O)(=O)N1CCNCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001219676867 794155534 /nfs/dbraw/zinc/15/55/34/794155534.db2.gz YAHDUQDHDHOJMJ-LLVKDONJSA-N 1 3 331.442 -2.853 20 0 EAADHO O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219676870 794154731 /nfs/dbraw/zinc/15/47/31/794154731.db2.gz YAHDUQDHDHOJMJ-NSHDSACASA-N 1 3 331.442 -2.853 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678435 794156933 /nfs/dbraw/zinc/15/69/33/794156933.db2.gz OBNQCGPKGDAJEF-JTQLQIEISA-N 1 3 339.487 -2.643 20 0 EAADHO NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001219681846 794158503 /nfs/dbraw/zinc/15/85/03/794158503.db2.gz CSMPQSFCDJZRMU-QWRGUYRKSA-N 1 3 325.413 -1.432 20 0 EAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219694000 794159532 /nfs/dbraw/zinc/15/95/32/794159532.db2.gz CPTFVXQJMBLQGM-NSHDSACASA-N 1 3 336.396 -1.846 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219706246 794161064 /nfs/dbraw/zinc/16/10/64/794161064.db2.gz YZQAWOSUGPMRNO-HZMBPMFUSA-N 1 3 347.419 -1.344 20 0 EAADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711987 794160943 /nfs/dbraw/zinc/16/09/43/794160943.db2.gz JRLZJKMMRFVJFX-IACUBPJLSA-N 1 3 335.408 -1.242 20 0 EAADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219737065 794169605 /nfs/dbraw/zinc/16/96/05/794169605.db2.gz NVXOETKOFKYDMK-GHMZBOCLSA-N 1 3 329.422 -1.742 20 0 EAADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219737066 794170095 /nfs/dbraw/zinc/17/00/95/794170095.db2.gz NVXOETKOFKYDMK-MNOVXSKESA-N 1 3 329.422 -1.742 20 0 EAADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219737067 794169184 /nfs/dbraw/zinc/16/91/84/794169184.db2.gz NVXOETKOFKYDMK-QWRGUYRKSA-N 1 3 329.422 -1.742 20 0 EAADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219737068 794169907 /nfs/dbraw/zinc/16/99/07/794169907.db2.gz NVXOETKOFKYDMK-WDEREUQCSA-N 1 3 329.422 -1.742 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)COC1(C)C ZINC001219739178 794170938 /nfs/dbraw/zinc/17/09/38/794170938.db2.gz INHKVMZOOREZRP-SRVKXCTJSA-N 1 3 340.424 -1.208 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)COC1(C)C ZINC001219739179 794171766 /nfs/dbraw/zinc/17/17/66/794171766.db2.gz INHKVMZOOREZRP-TUAOUCFPSA-N 1 3 340.424 -1.208 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739382 794171212 /nfs/dbraw/zinc/17/12/12/794171212.db2.gz NCVYARDHSNHCLD-AEJSXWLSSA-N 1 3 327.385 -2.812 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739383 794171505 /nfs/dbraw/zinc/17/15/05/794171505.db2.gz NCVYARDHSNHCLD-GUBZILKMSA-N 1 3 327.385 -2.812 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C(N)=O ZINC001219739714 794171001 /nfs/dbraw/zinc/17/10/01/794171001.db2.gz VWFWBBRPXMAMFA-GARJFASQSA-N 1 3 341.412 -2.421 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C(N)=O ZINC001219739715 794171373 /nfs/dbraw/zinc/17/13/73/794171373.db2.gz VWFWBBRPXMAMFA-HBNTYKKESA-N 1 3 341.412 -2.421 20 0 EAADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnc2n1CCCNC2 ZINC001219750907 794176798 /nfs/dbraw/zinc/17/67/98/794176798.db2.gz KBDHSJDYPWBQEI-GFCCVEGCSA-N 1 3 336.444 -1.862 20 0 EAADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnc2n1CCCNC2 ZINC001219750908 794176815 /nfs/dbraw/zinc/17/68/15/794176815.db2.gz KBDHSJDYPWBQEI-LBPRGKRZSA-N 1 3 336.444 -1.862 20 0 EAADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219764303 794179322 /nfs/dbraw/zinc/17/93/22/794179322.db2.gz CVVBKIBHQIKIOV-AGIUHOORSA-N 1 3 342.465 -1.827 20 0 EAADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219764305 794179462 /nfs/dbraw/zinc/17/94/62/794179462.db2.gz CVVBKIBHQIKIOV-FRRDWIJNSA-N 1 3 342.465 -1.827 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@]1(F)CCC[NH2+]C1)C(N)=O ZINC001219771756 794181551 /nfs/dbraw/zinc/18/15/51/794181551.db2.gz RJLQSPSNNRLDSU-IMSIIYSGSA-N 1 3 331.392 -1.708 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@]1(F)CCC[NH2+]C1)C(N)=O ZINC001219771757 794180968 /nfs/dbraw/zinc/18/09/68/794180968.db2.gz RJLQSPSNNRLDSU-RBZYPMLTSA-N 1 3 331.392 -1.708 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC1CC2(C1)CC[NH2+]CC2)C(N)=O ZINC001219779291 794180323 /nfs/dbraw/zinc/18/03/23/794180323.db2.gz BYGLPAZBYVZLKU-CMPLNLGQSA-N 1 3 339.440 -1.268 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779296 794181490 /nfs/dbraw/zinc/18/14/90/794181490.db2.gz CHEVDCJJQXGEBQ-ONGXEEELSA-N 1 3 325.413 -1.658 20 0 EAADHO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796180 794185071 /nfs/dbraw/zinc/18/50/71/794185071.db2.gz PDDSBRZWALWMHI-FZMZJTMJSA-N 1 3 341.456 -1.857 20 0 EAADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219800968 794184431 /nfs/dbraw/zinc/18/44/31/794184431.db2.gz PONTZZZLSMDWCD-NEPJUHHUSA-N 1 3 343.449 -1.352 20 0 EAADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219800969 794183787 /nfs/dbraw/zinc/18/37/87/794183787.db2.gz PONTZZZLSMDWCD-NWDGAFQWSA-N 1 3 343.449 -1.352 20 0 EAADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219800970 794184885 /nfs/dbraw/zinc/18/48/85/794184885.db2.gz PONTZZZLSMDWCD-RYUDHWBXSA-N 1 3 343.449 -1.352 20 0 EAADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219800971 794184518 /nfs/dbraw/zinc/18/45/18/794184518.db2.gz PONTZZZLSMDWCD-VXGBXAGGSA-N 1 3 343.449 -1.352 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803521 794184587 /nfs/dbraw/zinc/18/45/87/794184587.db2.gz WLKCYRISXRMRQH-AXFHLTTASA-N 1 3 341.412 -2.421 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803522 794183641 /nfs/dbraw/zinc/18/36/41/794183641.db2.gz WLKCYRISXRMRQH-DCAQKATOSA-N 1 3 341.412 -2.421 20 0 EAADHO O=C(NCc1cc(=O)n2c(n1)CNCCC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219805605 794186001 /nfs/dbraw/zinc/18/60/01/794186001.db2.gz ALCHWIHWHWSGME-SJKOYZFVSA-N 1 3 346.435 -1.448 20 0 EAADHO O=C(NCc1cc(=O)n2c(n1)CNCCC2)[C@H]1C[NH2+]CC12CNC2 ZINC001219806281 794185757 /nfs/dbraw/zinc/18/57/57/794185757.db2.gz QEKLGNIHRDSNIH-GFCCVEGCSA-N 1 3 332.408 -1.838 20 0 EAADHO O=C(NCc1cc(=O)n2c(n1)CNCCC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219806282 794185971 /nfs/dbraw/zinc/18/59/71/794185971.db2.gz QEKLGNIHRDSNIH-LBPRGKRZSA-N 1 3 332.408 -1.838 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219807687 794186410 /nfs/dbraw/zinc/18/64/10/794186410.db2.gz LHTKFCQDWOBOIN-NSHDSACASA-N 1 3 340.453 -1.628 20 0 EAADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219812421 794187270 /nfs/dbraw/zinc/18/72/70/794187270.db2.gz AVAPTJDVXUTBCD-GVXVVHGQSA-N 1 3 329.422 -1.885 20 0 EAADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219812425 794187929 /nfs/dbraw/zinc/18/79/29/794187929.db2.gz AVAPTJDVXUTBCD-LOWVWBTDSA-N 1 3 329.422 -1.885 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219815215 794188503 /nfs/dbraw/zinc/18/85/03/794188503.db2.gz VBMBWRGYMMMOJK-QSDJMHMYSA-N 1 3 327.385 -2.954 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)COC1(C)C ZINC001219815385 794187996 /nfs/dbraw/zinc/18/79/96/794187996.db2.gz YBVAAYUFIXZKJW-YWDSYVAPSA-N 1 3 340.424 -1.351 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818338 794188744 /nfs/dbraw/zinc/18/87/44/794188744.db2.gz CUHQHXLUJIODGX-QJZXMWHDSA-N 1 3 347.419 -1.087 20 0 EAADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219831369 794190882 /nfs/dbraw/zinc/19/08/82/794190882.db2.gz IJDOAGWIVJKGHO-KKOKHZNYSA-N 1 3 329.422 -1.744 20 0 EAADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219831370 794191131 /nfs/dbraw/zinc/19/11/31/794191131.db2.gz IJDOAGWIVJKGHO-WYUUTHIRSA-N 1 3 329.422 -1.744 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C(N)=O ZINC001219831400 794191117 /nfs/dbraw/zinc/19/11/17/794191117.db2.gz JMASXQOGIUQGNZ-KQSJRHEJSA-N 1 3 341.412 -2.423 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831690 794191038 /nfs/dbraw/zinc/19/10/38/794191038.db2.gz UNRDWKQPFYKFCI-GEVSDDDWSA-N 1 3 327.385 -2.813 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)COC1(C)C ZINC001219831801 794190656 /nfs/dbraw/zinc/19/06/56/794190656.db2.gz YTFDJDHNOIBOMA-QWQWKMKNSA-N 1 3 340.424 -1.210 20 0 EAADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1COC2(CNC2)CN1 ZINC001219833268 794192091 /nfs/dbraw/zinc/19/20/91/794192091.db2.gz BDCHUSGJQPSKKZ-IPYPFGDCSA-N 1 3 340.424 -2.172 20 0 EAADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1COC2(CNC2)CN1 ZINC001219833270 794192132 /nfs/dbraw/zinc/19/21/32/794192132.db2.gz BDCHUSGJQPSKKZ-NFAWXSAZSA-N 1 3 340.424 -2.172 20 0 EAADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1COC2(CNC2)CN1 ZINC001219833271 794192318 /nfs/dbraw/zinc/19/23/18/794192318.db2.gz BDCHUSGJQPSKKZ-UMVBOHGHSA-N 1 3 340.424 -2.172 20 0 EAADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1COC2(CNC2)CN1 ZINC001219833272 794192300 /nfs/dbraw/zinc/19/23/00/794192300.db2.gz BDCHUSGJQPSKKZ-VNHYZAJKSA-N 1 3 340.424 -2.172 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833282 794192209 /nfs/dbraw/zinc/19/22/09/794192209.db2.gz BGDIJLHGHMTPEN-HUBLWGQQSA-N 1 3 343.428 -1.727 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833283 794192287 /nfs/dbraw/zinc/19/22/87/794192287.db2.gz BGDIJLHGHMTPEN-JMSVASOKSA-N 1 3 343.428 -1.727 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833284 794192307 /nfs/dbraw/zinc/19/23/07/794192307.db2.gz BGDIJLHGHMTPEN-LALPHHSUSA-N 1 3 343.428 -1.727 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833285 794192454 /nfs/dbraw/zinc/19/24/54/794192454.db2.gz BGDIJLHGHMTPEN-SLEUVZQESA-N 1 3 343.428 -1.727 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833286 794192364 /nfs/dbraw/zinc/19/23/64/794192364.db2.gz BGDIJLHGHMTPEN-TYNCELHUSA-N 1 3 343.428 -1.727 20 0 EAADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833287 794192082 /nfs/dbraw/zinc/19/20/82/794192082.db2.gz BGDIJLHGHMTPEN-XUJVJEKNSA-N 1 3 343.428 -1.727 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833288 794191973 /nfs/dbraw/zinc/19/19/73/794191973.db2.gz BGDIJLHGHMTPEN-YWPYICTPSA-N 1 3 343.428 -1.727 20 0 EAADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833289 794192523 /nfs/dbraw/zinc/19/25/23/794192523.db2.gz BGDIJLHGHMTPEN-ZOWXZIJZSA-N 1 3 343.428 -1.727 20 0 EAADHO Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834940 794192343 /nfs/dbraw/zinc/19/23/43/794192343.db2.gz VHJXMEYFFTZVFW-DUVNUKRYSA-N 1 3 337.424 -1.199 20 0 EAADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834941 794192611 /nfs/dbraw/zinc/19/26/11/794192611.db2.gz VHJXMEYFFTZVFW-INWMFGNUSA-N 1 3 337.424 -1.199 20 0 EAADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834942 794192197 /nfs/dbraw/zinc/19/21/97/794192197.db2.gz VHJXMEYFFTZVFW-IVMMDQJWSA-N 1 3 337.424 -1.199 20 0 EAADHO Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834943 794192270 /nfs/dbraw/zinc/19/22/70/794192270.db2.gz VHJXMEYFFTZVFW-NOLJZWGESA-N 1 3 337.424 -1.199 20 0 EAADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834958 794192245 /nfs/dbraw/zinc/19/22/45/794192245.db2.gz VUVKBEICNMZXKE-HUBLWGQQSA-N 1 3 329.397 -1.222 20 0 EAADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834959 794192185 /nfs/dbraw/zinc/19/21/85/794192185.db2.gz VUVKBEICNMZXKE-SLEUVZQESA-N 1 3 329.397 -1.222 20 0 EAADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834960 794192176 /nfs/dbraw/zinc/19/21/76/794192176.db2.gz VUVKBEICNMZXKE-TYNCELHUSA-N 1 3 329.397 -1.222 20 0 EAADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834961 794192251 /nfs/dbraw/zinc/19/22/51/794192251.db2.gz VUVKBEICNMZXKE-XUJVJEKNSA-N 1 3 329.397 -1.222 20 0 EAADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838524 794193493 /nfs/dbraw/zinc/19/34/93/794193493.db2.gz RIIPOHRTSITFSY-IJCNEDTMSA-N 1 3 333.454 -1.406 20 0 EAADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838525 794193363 /nfs/dbraw/zinc/19/33/63/794193363.db2.gz RIIPOHRTSITFSY-PINYTWQYSA-N 1 3 333.454 -1.406 20 0 EAADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838526 794193355 /nfs/dbraw/zinc/19/33/55/794193355.db2.gz RIIPOHRTSITFSY-SLHUMEIXSA-N 1 3 333.454 -1.406 20 0 EAADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838527 794193250 /nfs/dbraw/zinc/19/32/50/794193250.db2.gz RIIPOHRTSITFSY-UQWATSJYSA-N 1 3 333.454 -1.406 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838740 794193126 /nfs/dbraw/zinc/19/31/26/794193126.db2.gz UDHHGHUHUZAQON-ASHKBJFXSA-N 1 3 328.413 -1.650 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838741 794193441 /nfs/dbraw/zinc/19/34/41/794193441.db2.gz UDHHGHUHUZAQON-JUFZMCDQSA-N 1 3 328.413 -1.650 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838742 794193463 /nfs/dbraw/zinc/19/34/63/794193463.db2.gz UDHHGHUHUZAQON-OHTBPHCPSA-N 1 3 328.413 -1.650 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838743 794193238 /nfs/dbraw/zinc/19/32/38/794193238.db2.gz UDHHGHUHUZAQON-UUIJZJDISA-N 1 3 328.413 -1.650 20 0 EAADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219847650 794196808 /nfs/dbraw/zinc/19/68/08/794196808.db2.gz NOZZWEDITQOZJJ-MROQNXINSA-N 1 3 347.423 -1.440 20 0 EAADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219847651 794196760 /nfs/dbraw/zinc/19/67/60/794196760.db2.gz NOZZWEDITQOZJJ-ZDEQEGDKSA-N 1 3 347.423 -1.440 20 0 EAADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219847798 794196133 /nfs/dbraw/zinc/19/61/33/794196133.db2.gz SNZKIDUICLDGGW-FIQHERPVSA-N 1 3 329.422 -1.601 20 0 EAADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219847799 794196496 /nfs/dbraw/zinc/19/64/96/794196496.db2.gz SNZKIDUICLDGGW-NOOOWODRSA-N 1 3 329.422 -1.601 20 0 EAADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219849723 794196537 /nfs/dbraw/zinc/19/65/37/794196537.db2.gz GYGPPDMTVKXLTH-WUHRBBMRSA-N 1 3 343.449 -1.496 20 0 EAADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219849724 794197695 /nfs/dbraw/zinc/19/76/95/794197695.db2.gz GYGPPDMTVKXLTH-ZDEQEGDKSA-N 1 3 343.449 -1.496 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C(N)=O ZINC001219850027 794197473 /nfs/dbraw/zinc/19/74/73/794197473.db2.gz LOVLFKKZVVJOMW-HKLXJQGRSA-N 1 3 341.412 -2.281 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)COC1(C)C ZINC001219850166 794197838 /nfs/dbraw/zinc/19/78/38/794197838.db2.gz MTTVRBGOYPVBJM-PJSNJIKXSA-N 1 3 340.424 -1.067 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219850370 794197689 /nfs/dbraw/zinc/19/76/89/794197689.db2.gz RLIXGGDQFPYIAV-VGBILLHSSA-N 1 3 327.385 -2.671 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852186 794197292 /nfs/dbraw/zinc/19/72/92/794197292.db2.gz NOKZVTIZSXYXJT-UHFZAUJKSA-N 1 3 341.412 -2.566 20 0 EAADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854646 794197896 /nfs/dbraw/zinc/19/78/96/794197896.db2.gz OEPRIVTWJBEESF-UVLXDEKHSA-N 1 3 348.407 -1.583 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)COC1(C)C ZINC001219856344 794199671 /nfs/dbraw/zinc/19/96/71/794199671.db2.gz JBCPSEKOQRNPME-KZZRWZIVSA-N 1 3 326.397 -1.600 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(N)=O ZINC001219856372 794198908 /nfs/dbraw/zinc/19/89/08/794198908.db2.gz KJPMYQIQLBTAMW-UNQZSWDGSA-N 1 3 327.385 -2.813 20 0 EAADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC[NH3+] ZINC001219872504 794202062 /nfs/dbraw/zinc/20/20/62/794202062.db2.gz IZZVDCLZNZMJAP-AVGNSLFASA-N 1 3 341.456 -1.070 20 0 EAADHO CCC[NH+]1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001219954603 794220313 /nfs/dbraw/zinc/22/03/13/794220313.db2.gz MJCXAWLLSNTCAC-JQWIXIFHSA-N 1 3 327.429 -1.316 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959566 794220832 /nfs/dbraw/zinc/22/08/32/794220832.db2.gz YWZGPJRSNMMZKX-AGIUHOORSA-N 1 3 339.440 -1.172 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959567 794221296 /nfs/dbraw/zinc/22/12/96/794221296.db2.gz YWZGPJRSNMMZKX-AVGNSLFASA-N 1 3 339.440 -1.172 20 0 EAADHO CCn1c(N)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(=O)n(CC)c1=O ZINC001219971937 794224123 /nfs/dbraw/zinc/22/41/23/794224123.db2.gz GIFYODGTWJIYKV-JTQLQIEISA-N 1 3 338.412 -1.103 20 0 EAADHO CCn1c(N)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(=O)n(CC)c1=O ZINC001219971941 794224705 /nfs/dbraw/zinc/22/47/05/794224705.db2.gz GIFYODGTWJIYKV-SNVBAGLBSA-N 1 3 338.412 -1.103 20 0 EAADHO CCn1c(N)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(=O)n(CC)c1=O ZINC001219972823 794224336 /nfs/dbraw/zinc/22/43/36/794224336.db2.gz XBHDKAPVEWCRDJ-SECBINFHSA-N 1 3 336.396 -1.621 20 0 EAADHO CCn1c(N)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(=O)n(CC)c1=O ZINC001219972824 794224077 /nfs/dbraw/zinc/22/40/77/794224077.db2.gz XBHDKAPVEWCRDJ-VIFPVBQESA-N 1 3 336.396 -1.621 20 0 EAADHO COC(=O)C1(NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC[NH2+]CC1 ZINC001219999164 794226933 /nfs/dbraw/zinc/22/69/33/794226933.db2.gz LXVMXVRUVFARBF-JTQLQIEISA-N 1 3 345.421 -1.826 20 0 EAADHO COC(=O)C1(NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC[NH2+]CC1 ZINC001219999165 794226709 /nfs/dbraw/zinc/22/67/09/794226709.db2.gz LXVMXVRUVFARBF-SNVBAGLBSA-N 1 3 345.421 -1.826 20 0 EAADHO COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC[NH2+]CC1 ZINC001220001052 794228886 /nfs/dbraw/zinc/22/88/86/794228886.db2.gz FLFOQSRPBGMBIN-QWRGUYRKSA-N 1 3 326.397 -1.264 20 0 EAADHO COC(=O)C1(NC(=O)CN2CCCC[C@H](N)C2=O)CC[NH2+]CC1 ZINC001220001075 794228296 /nfs/dbraw/zinc/22/82/96/794228296.db2.gz GTYQCJFWXCQANL-NSHDSACASA-N 1 3 326.397 -1.262 20 0 EAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001374 794228380 /nfs/dbraw/zinc/22/83/80/794228380.db2.gz QESYWBWYOXHKIW-JQWIXIFHSA-N 1 3 328.413 -1.113 20 0 EAADHO COC(=O)C1(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[NH2+]CC1 ZINC001220001743 794229150 /nfs/dbraw/zinc/22/91/50/794229150.db2.gz WMMXZRRNGUOCAT-IUCAKERBSA-N 1 3 343.384 -2.895 20 0 EAADHO COC(=O)C1(NC(=O)CNC(=O)[C@@H](N)CC(C)C)CC[NH2+]CC1 ZINC001220001849 794229162 /nfs/dbraw/zinc/22/91/62/794229162.db2.gz YNPLAWWAZMHJKH-NSHDSACASA-N 1 3 328.413 -1.113 20 0 EAADHO CCOC(=O)C(=CNC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220041240 794232587 /nfs/dbraw/zinc/23/25/87/794232587.db2.gz DQNSBLJFNWJGPU-LLVKDONJSA-N 1 3 325.365 -1.078 20 0 EAADHO CCOC(=O)C(=CNC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)OCC ZINC001220041241 794231371 /nfs/dbraw/zinc/23/13/71/794231371.db2.gz DQNSBLJFNWJGPU-NSHDSACASA-N 1 3 325.365 -1.078 20 0 EAADHO CCC(CO)(CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220109488 794245148 /nfs/dbraw/zinc/24/51/48/794245148.db2.gz BVEKAGUSVSNVPD-STQMWFEESA-N 1 3 344.456 -1.317 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161900 794254735 /nfs/dbraw/zinc/25/47/35/794254735.db2.gz GMJKWMIKWNPOMG-BUWBCJGYSA-N 1 3 339.440 -1.268 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161901 794255206 /nfs/dbraw/zinc/25/52/06/794255206.db2.gz GMJKWMIKWNPOMG-CENBSLRLSA-N 1 3 339.440 -1.268 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161902 794254855 /nfs/dbraw/zinc/25/48/55/794254855.db2.gz GMJKWMIKWNPOMG-MEQWQQMJSA-N 1 3 339.440 -1.268 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161903 794255603 /nfs/dbraw/zinc/25/56/03/794255603.db2.gz GMJKWMIKWNPOMG-YWDSYVAPSA-N 1 3 339.440 -1.268 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(CCO)COC1 ZINC001220173746 794256923 /nfs/dbraw/zinc/25/69/23/794256923.db2.gz SIZRRZSQRVRPSC-STQMWFEESA-N 1 3 342.440 -1.299 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181279 794258461 /nfs/dbraw/zinc/25/84/61/794258461.db2.gz HSSFCZUSXSRTEM-XUXIUFHCSA-N 1 3 342.440 -1.300 20 0 EAADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001220200303 794260481 /nfs/dbraw/zinc/26/04/81/794260481.db2.gz GRNDVZMGRGNVRO-AWEZNQCLSA-N 1 3 326.441 -1.066 20 0 EAADHO COCCC[NH+]1CCC(NC(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001220200304 794260302 /nfs/dbraw/zinc/26/03/02/794260302.db2.gz GRNDVZMGRGNVRO-CQSZACIVSA-N 1 3 326.441 -1.066 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202284 794260500 /nfs/dbraw/zinc/26/05/00/794260500.db2.gz AHALMXFYEZEBRG-AGIUHOORSA-N 1 3 339.440 -1.314 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202285 794260399 /nfs/dbraw/zinc/26/03/99/794260399.db2.gz AHALMXFYEZEBRG-AVGNSLFASA-N 1 3 339.440 -1.314 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220220723 794262123 /nfs/dbraw/zinc/26/21/23/794262123.db2.gz CEGMXJNXLHVJTR-BJDJZHNGSA-N 1 3 327.429 -1.317 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1OCCO1 ZINC001220288657 794275045 /nfs/dbraw/zinc/27/50/45/794275045.db2.gz DZHUHCKIWOHTLG-RYUDHWBXSA-N 1 3 328.413 -1.077 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1COC(=O)C1 ZINC001220296621 794274338 /nfs/dbraw/zinc/27/43/38/794274338.db2.gz UEAPOQGDJSGHAO-WOPDTQHZSA-N 1 3 326.397 -1.135 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220306088 794277158 /nfs/dbraw/zinc/27/71/58/794277158.db2.gz BODRNBYCTBUVFF-RYUDHWBXSA-N 1 3 342.444 -2.553 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220306088 794277150 /nfs/dbraw/zinc/27/71/50/794277150.db2.gz BODRNBYCTBUVFF-RYUDHWBXSA-N 1 3 342.444 -2.553 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321623 794277750 /nfs/dbraw/zinc/27/77/50/794277750.db2.gz WSKJZRDNTJEWTC-BQVMBELUSA-N 1 3 341.412 -2.279 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321624 794278556 /nfs/dbraw/zinc/27/85/56/794278556.db2.gz WSKJZRDNTJEWTC-DDIVZENXSA-N 1 3 341.412 -2.279 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321625 794278258 /nfs/dbraw/zinc/27/82/58/794278258.db2.gz WSKJZRDNTJEWTC-USXUVBGUSA-N 1 3 341.412 -2.279 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321626 794278416 /nfs/dbraw/zinc/27/84/16/794278416.db2.gz WSKJZRDNTJEWTC-VEABSNGSSA-N 1 3 341.412 -2.279 20 0 EAADHO NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220329509 794279950 /nfs/dbraw/zinc/27/99/50/794279950.db2.gz RCJIFWMTKQFIES-AXFHLTTASA-N 1 3 329.401 -2.604 20 0 EAADHO NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220329510 794279424 /nfs/dbraw/zinc/27/94/24/794279424.db2.gz RCJIFWMTKQFIES-DCAQKATOSA-N 1 3 329.401 -2.604 20 0 EAADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220335964 794279522 /nfs/dbraw/zinc/27/95/22/794279522.db2.gz ZNNAPYFCDQTGLC-AGIUHOORSA-N 1 3 341.456 -1.070 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001220335965 794279151 /nfs/dbraw/zinc/27/91/51/794279151.db2.gz ZNNAPYFCDQTGLC-AVGNSLFASA-N 1 3 341.456 -1.070 20 0 EAADHO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282429 /nfs/dbraw/zinc/28/24/29/794282429.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282423 /nfs/dbraw/zinc/28/24/23/794282423.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)CN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282421 /nfs/dbraw/zinc/28/24/21/794282421.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@H](O)CN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359163 794282412 /nfs/dbraw/zinc/28/24/12/794282412.db2.gz DISUSELOKMOGBB-MCIONIFRSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282141 /nfs/dbraw/zinc/28/21/41/794282141.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282136 /nfs/dbraw/zinc/28/21/36/794282136.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)CN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282131 /nfs/dbraw/zinc/28/21/31/794282131.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 1 3 329.441 -1.113 20 0 EAADHO COC[C@@H](O)CN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359164 794282127 /nfs/dbraw/zinc/28/21/27/794282127.db2.gz DISUSELOKMOGBB-MJBXVCDLSA-N 1 3 329.441 -1.113 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390036 794288787 /nfs/dbraw/zinc/28/87/87/794288787.db2.gz LLFUOLPDKJATMG-LBPRGKRZSA-N 1 3 340.453 -1.051 20 0 EAADHO O=C(NCc1ccc(N2CCOCC2)nn1)[C@H]1C[NH2+]CC12CNC2 ZINC001220390280 794289520 /nfs/dbraw/zinc/28/95/20/794289520.db2.gz WQNNBAFYUMVEGL-CYBMUJFWSA-N 1 3 332.408 -1.262 20 0 EAADHO O=C(NCc1ccc(N2CCOCC2)nn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220390281 794288460 /nfs/dbraw/zinc/28/84/60/794288460.db2.gz WQNNBAFYUMVEGL-ZDUSSCGKSA-N 1 3 332.408 -1.262 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394660 794289232 /nfs/dbraw/zinc/28/92/32/794289232.db2.gz KZAOQKZJDWNMBC-QWRGUYRKSA-N 1 3 325.413 -1.704 20 0 EAADHO CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220417800 794292539 /nfs/dbraw/zinc/29/25/39/794292539.db2.gz AYLHWFOWYSAJFZ-SRVKXCTJSA-N 1 3 327.429 -1.316 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481348 794302124 /nfs/dbraw/zinc/30/21/24/794302124.db2.gz DRGNMWJOVMPAKZ-MQYQWHSLSA-N 1 3 342.440 -1.612 20 0 EAADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)O1 ZINC001220481606 794302630 /nfs/dbraw/zinc/30/26/30/794302630.db2.gz LDSFHAANALTGMO-BYNQJWBRSA-N 1 3 328.413 -1.842 20 0 EAADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)O1 ZINC001220481607 794302076 /nfs/dbraw/zinc/30/20/76/794302076.db2.gz LDSFHAANALTGMO-FMCLSXCISA-N 1 3 328.413 -1.842 20 0 EAADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)O1 ZINC001220481608 794302167 /nfs/dbraw/zinc/30/21/67/794302167.db2.gz LDSFHAANALTGMO-HKUMRIAESA-N 1 3 328.413 -1.842 20 0 EAADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)O1 ZINC001220481609 794301953 /nfs/dbraw/zinc/30/19/53/794301953.db2.gz LDSFHAANALTGMO-SFTQSGBHSA-N 1 3 328.413 -1.842 20 0 EAADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)O1 ZINC001220481679 794302396 /nfs/dbraw/zinc/30/23/96/794302396.db2.gz NJYMFZBUGVMORO-PRULPYPASA-N 1 3 331.417 -1.397 20 0 EAADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)O1 ZINC001220481680 794301161 /nfs/dbraw/zinc/30/11/61/794301161.db2.gz NJYMFZBUGVMORO-UZWSLXQKSA-N 1 3 331.417 -1.397 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]([NH3+])c1ccccc1)C(N)=O ZINC001220503871 794304797 /nfs/dbraw/zinc/30/47/97/794304797.db2.gz MGKLLWGBHWJGDN-CYZMBNFOSA-N 1 3 335.408 -1.100 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]([NH3+])c1ccccc1)C(N)=O ZINC001220503872 794305003 /nfs/dbraw/zinc/30/50/03/794305003.db2.gz MGKLLWGBHWJGDN-WCFLWFBJSA-N 1 3 335.408 -1.100 20 0 EAADHO COCCOCCOCCOCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220512718 794309352 /nfs/dbraw/zinc/30/93/52/794309352.db2.gz YPGMPXCNPGHFSE-AWEZNQCLSA-N 1 3 345.440 -1.392 20 0 EAADHO COCCOCCOCCOCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220512720 794308854 /nfs/dbraw/zinc/30/88/54/794308854.db2.gz YPGMPXCNPGHFSE-CQSZACIVSA-N 1 3 345.440 -1.392 20 0 EAADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001220515730 794308981 /nfs/dbraw/zinc/30/89/81/794308981.db2.gz JBPGXKSVIQVTLQ-LBPRGKRZSA-N 1 3 337.428 -1.679 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCOCCOCC[NH3+])COC1(C)C ZINC001220519105 794308414 /nfs/dbraw/zinc/30/84/14/794308414.db2.gz BFLREBPYGPDWLG-RYUDHWBXSA-N 1 3 346.428 -1.595 20 0 EAADHO [NH3+]CCOCCOCCNC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220519372 794308594 /nfs/dbraw/zinc/30/85/94/794308594.db2.gz LXBWMUAMHWVTTG-LLVKDONJSA-N 1 3 335.426 -2.129 20 0 EAADHO [NH3+]CCOCCOCCNC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220519373 794308260 /nfs/dbraw/zinc/30/82/60/794308260.db2.gz LXBWMUAMHWVTTG-NSHDSACASA-N 1 3 335.426 -2.129 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCCOCCOCC[NH3+])C(N)=O ZINC001220519479 794308635 /nfs/dbraw/zinc/30/86/35/794308635.db2.gz PPNXVMSDPFUBPC-WDEREUQCSA-N 1 3 347.416 -2.808 20 0 EAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCOCCOCC[NH3+] ZINC001220519552 794309321 /nfs/dbraw/zinc/30/93/21/794309321.db2.gz RYRHXDGLDJMMHM-STQMWFEESA-N 1 3 332.445 -1.027 20 0 EAADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CCCNC(N)=O)CC[NH2+]C1 ZINC001220521316 794308947 /nfs/dbraw/zinc/30/89/47/794308947.db2.gz BVAXBFCAGJAMBT-JTQLQIEISA-N 1 3 327.385 -1.311 20 0 EAADHO CCOC(=O)C1=C(NC(=O)[C@H](N)CCCNC(N)=O)CC[NH2+]C1 ZINC001220521317 794308831 /nfs/dbraw/zinc/30/88/31/794308831.db2.gz BVAXBFCAGJAMBT-SNVBAGLBSA-N 1 3 327.385 -1.311 20 0 EAADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001220585360 794325161 /nfs/dbraw/zinc/32/51/61/794325161.db2.gz IKLRUWSLFPAXFL-QWRGUYRKSA-N 1 3 344.412 -1.353 20 0 EAADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220585503 794325856 /nfs/dbraw/zinc/32/58/56/794325856.db2.gz NWKUAQJNHJOGKL-IUCAKERBSA-N 1 3 331.373 -2.956 20 0 EAADHO CC(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220596770 794327647 /nfs/dbraw/zinc/32/76/47/794327647.db2.gz HOMIVUWKZMSVGI-KBPBESRZSA-N 1 3 339.440 -1.219 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680676 794339328 /nfs/dbraw/zinc/33/93/28/794339328.db2.gz MQCKNXKJKXQSEZ-HGCLJGPKSA-N 1 3 325.413 -1.517 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(N)=O ZINC001220680761 794339371 /nfs/dbraw/zinc/33/93/71/794339371.db2.gz PXQQTDFQKABSCB-KIJLLGNVSA-N 1 3 339.440 -1.127 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716608 794344639 /nfs/dbraw/zinc/34/46/39/794344639.db2.gz LYQPXDKEXICIQR-NWBUJAPZSA-N 1 3 339.440 -1.175 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220716608 794344633 /nfs/dbraw/zinc/34/46/33/794344633.db2.gz LYQPXDKEXICIQR-NWBUJAPZSA-N 1 3 339.440 -1.175 20 0 EAADHO O=C(NCCCN1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220756531 794353069 /nfs/dbraw/zinc/35/30/69/794353069.db2.gz FNOYHZIYYJMEIY-UKRRQHHQSA-N 1 3 344.481 -1.578 20 0 EAADHO O=C(NCCCN1CCS(=O)(=O)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220756826 794352906 /nfs/dbraw/zinc/35/29/06/794352906.db2.gz LFQZQKYOQIYICB-GFCCVEGCSA-N 1 3 330.454 -1.968 20 0 EAADHO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220756827 794352402 /nfs/dbraw/zinc/35/24/02/794352402.db2.gz LFQZQKYOQIYICB-LBPRGKRZSA-N 1 3 330.454 -1.968 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756867 794352886 /nfs/dbraw/zinc/35/28/86/794352886.db2.gz MGHCCJAKOAPVIK-NSHDSACASA-N 1 3 338.499 -1.758 20 0 EAADHO N[C@@H](C(=O)NCCCN1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001220757293 794353634 /nfs/dbraw/zinc/35/36/34/794353634.db2.gz ZBXJMBPDYHDQFW-CYBMUJFWSA-N 1 3 332.470 -1.450 20 0 EAADHO N[C@H](C(=O)NCCCN1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001220757294 794352782 /nfs/dbraw/zinc/35/27/82/794352782.db2.gz ZBXJMBPDYHDQFW-ZDUSSCGKSA-N 1 3 332.470 -1.450 20 0 EAADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220770630 794356955 /nfs/dbraw/zinc/35/69/55/794356955.db2.gz YGPYMVNAOKXING-AXAPSJFSSA-N 1 3 335.408 -1.181 20 0 EAADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220770631 794356836 /nfs/dbraw/zinc/35/68/36/794356836.db2.gz YGPYMVNAOKXING-PVXIVEMSSA-N 1 3 335.408 -1.181 20 0 EAADHO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001220771760 794357491 /nfs/dbraw/zinc/35/74/91/794357491.db2.gz DZVQAMJSHPSEGF-KYOSRNDESA-N 1 3 338.408 -1.070 20 0 EAADHO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001220771760 794357482 /nfs/dbraw/zinc/35/74/82/794357482.db2.gz DZVQAMJSHPSEGF-KYOSRNDESA-N 1 3 338.408 -1.070 20 0 EAADHO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001220771761 794356494 /nfs/dbraw/zinc/35/64/94/794356494.db2.gz DZVQAMJSHPSEGF-LNSITVRQSA-N 1 3 338.408 -1.070 20 0 EAADHO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001220771761 794356484 /nfs/dbraw/zinc/35/64/84/794356484.db2.gz DZVQAMJSHPSEGF-LNSITVRQSA-N 1 3 338.408 -1.070 20 0 EAADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220771990 794357415 /nfs/dbraw/zinc/35/74/15/794357415.db2.gz HMYYHHRPLDVXPS-QWRGUYRKSA-N 1 3 329.426 -1.360 20 0 EAADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220771991 794356213 /nfs/dbraw/zinc/35/62/13/794356213.db2.gz HMYYHHRPLDVXPS-WDEREUQCSA-N 1 3 329.426 -1.360 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220780257 794358101 /nfs/dbraw/zinc/35/81/01/794358101.db2.gz BDBJBUWWNWEELE-MISXLKTNSA-N 1 3 325.413 -1.386 20 0 EAADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[NH2+]C1 ZINC001220827640 794365702 /nfs/dbraw/zinc/36/57/02/794365702.db2.gz WGSILMRIKMUOQX-JTQLQIEISA-N 1 3 343.405 -1.700 20 0 EAADHO CCOC(=O)C1=C(NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[NH2+]C1 ZINC001220827641 794365780 /nfs/dbraw/zinc/36/57/80/794365780.db2.gz WGSILMRIKMUOQX-SNVBAGLBSA-N 1 3 343.405 -1.700 20 0 EAADHO CCOC(=O)C1=C(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[NH2+]C1 ZINC001220829811 794365838 /nfs/dbraw/zinc/36/58/38/794365838.db2.gz AEXOELSUUDLDAM-CBAPKCEASA-N 1 3 341.368 -2.770 20 0 EAADHO CCOC(=O)C1(NC(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)CNC1 ZINC001220850904 794368159 /nfs/dbraw/zinc/36/81/59/794368159.db2.gz AENLLGRCDDZAOR-GFCCVEGCSA-N 1 3 340.424 -1.540 20 0 EAADHO CCOC(=O)C1(NC(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)CNC1 ZINC001220850905 794368208 /nfs/dbraw/zinc/36/82/08/794368208.db2.gz AENLLGRCDDZAOR-LBPRGKRZSA-N 1 3 340.424 -1.540 20 0 EAADHO CCOC(=O)C1(NC(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C[NH2+]C1 ZINC001220853207 794369583 /nfs/dbraw/zinc/36/95/83/794369583.db2.gz PWDGYUYBOBXIKI-JTQLQIEISA-N 1 3 344.412 -1.734 20 0 EAADHO CN1C[C@H](C(=O)NCCN2CCNCC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872552 794372534 /nfs/dbraw/zinc/37/25/34/794372534.db2.gz YPHNANIXLZFXRL-CYBMUJFWSA-N 1 3 339.440 -2.013 20 0 EAADHO CN1C[C@@H](C(=O)NCCN2CCNCC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872553 794373109 /nfs/dbraw/zinc/37/31/09/794373109.db2.gz YPHNANIXLZFXRL-ZDUSSCGKSA-N 1 3 339.440 -2.013 20 0 EAADHO O=C(NCCOCCN1C(=O)C=CC1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220876375 794374208 /nfs/dbraw/zinc/37/42/08/794374208.db2.gz JCAFQTZGVUKBBJ-MLGOLLRUSA-N 1 3 336.392 -1.757 20 0 EAADHO N[C@@H](CSCC[NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878738 794374443 /nfs/dbraw/zinc/37/44/43/794374443.db2.gz OWABLFUFIIBGKM-JTQLQIEISA-N 1 3 330.410 -1.937 20 0 EAADHO N[C@H](Cc1cccc(O)c1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900249 794378312 /nfs/dbraw/zinc/37/83/12/794378312.db2.gz FMJSHIPLDOFZAX-GFCCVEGCSA-N 1 3 326.357 -1.074 20 0 EAADHO N[C@@H](Cc1cccc(O)c1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900250 794378113 /nfs/dbraw/zinc/37/81/13/794378113.db2.gz FMJSHIPLDOFZAX-LBPRGKRZSA-N 1 3 326.357 -1.074 20 0 EAADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900574 794377804 /nfs/dbraw/zinc/37/78/04/794377804.db2.gz NABDDYNXARVWMT-QWRGUYRKSA-N 1 3 347.420 -1.471 20 0 EAADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220901229 794379331 /nfs/dbraw/zinc/37/93/31/794379331.db2.gz UOULBUFHYUPUGH-JTQLQIEISA-N 1 3 348.404 -1.029 20 0 EAADHO N[C@H]1CCCCN(CC(=O)NCCN(CC[NH3+])N(O)N=O)C1=O ZINC001220901452 794379231 /nfs/dbraw/zinc/37/92/31/794379231.db2.gz ZTFOXZQCRHWYLT-JTQLQIEISA-N 1 3 331.377 -2.009 20 0 EAADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902871 794378143 /nfs/dbraw/zinc/37/81/43/794378143.db2.gz DHYBUOZIKWHEKB-ONGXEEELSA-N 1 3 333.393 -1.860 20 0 EAADHO CS(=O)(=O)N1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001220923542 794382376 /nfs/dbraw/zinc/38/23/76/794382376.db2.gz IGZOHGWODADNOC-UKRRQHHQSA-N 1 3 344.481 -1.027 20 0 EAADHO CS(=O)(=O)N1CCC(CNC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001220924444 794383551 /nfs/dbraw/zinc/38/35/51/794383551.db2.gz SPBBOAGZJASEKJ-GFCCVEGCSA-N 1 3 330.454 -1.417 20 0 EAADHO CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001220924445 794382273 /nfs/dbraw/zinc/38/22/73/794382273.db2.gz SPBBOAGZJASEKJ-LBPRGKRZSA-N 1 3 330.454 -1.417 20 0 EAADHO CS(=O)(=O)N1CCC(CNC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001220926558 794381735 /nfs/dbraw/zinc/38/17/35/794381735.db2.gz REKJBCZKAVZNRS-NSHDSACASA-N 1 3 338.499 -1.207 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCCO[C@H]1CC[NH2+]C1)C(N)=O ZINC001220935984 794385989 /nfs/dbraw/zinc/38/59/89/794385989.db2.gz BQYIAJWZXQCLLQ-GARJFASQSA-N 1 3 329.401 -2.421 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NCCO[C@@H]1CC[NH2+]C1)C(N)=O ZINC001220935985 794385873 /nfs/dbraw/zinc/38/58/73/794385873.db2.gz BQYIAJWZXQCLLQ-HBNTYKKESA-N 1 3 329.401 -2.421 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)COC1(C)C ZINC001220937431 794386352 /nfs/dbraw/zinc/38/63/52/794386352.db2.gz RGRGWFPWERCBRY-SRVKXCTJSA-N 1 3 328.413 -1.208 20 0 EAADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)COC1(C)C ZINC001220937432 794387452 /nfs/dbraw/zinc/38/74/52/794387452.db2.gz RGRGWFPWERCBRY-TUAOUCFPSA-N 1 3 328.413 -1.208 20 0 EAADHO COCCOC[C@H](O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978214 794394198 /nfs/dbraw/zinc/39/41/98/794394198.db2.gz SAGNDGGKOXAHSM-KFWWJZLASA-N 1 3 345.440 -1.733 20 0 EAADHO COCCOC[C@@H](O)CN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978215 794395139 /nfs/dbraw/zinc/39/51/39/794395139.db2.gz SAGNDGGKOXAHSM-ZNMIVQPWSA-N 1 3 345.440 -1.733 20 0 EAADHO CC(=O)OC[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006839 794402188 /nfs/dbraw/zinc/40/21/88/794402188.db2.gz NHQNFCGNGZNFAI-AVGNSLFASA-N 1 3 328.413 -1.018 20 0 EAADHO CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1 ZINC001221006839 794402181 /nfs/dbraw/zinc/40/21/81/794402181.db2.gz NHQNFCGNGZNFAI-AVGNSLFASA-N 1 3 328.413 -1.018 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060560 794407605 /nfs/dbraw/zinc/40/76/05/794407605.db2.gz FKXDJRPLEWWEBH-CABZTGNLSA-N 1 3 339.371 -1.175 20 0 EAADHO CCC(CC)[C@@H](NC(=O)[C@@H](O)CN)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070214 794410630 /nfs/dbraw/zinc/41/06/30/794410630.db2.gz JYRSPPACXPZMHK-XADZXUCXSA-N 1 3 345.440 -1.276 20 0 EAADHO CCC(CC)[C@@H](NC(=O)[C@@H](N)CN)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070555 794409976 /nfs/dbraw/zinc/40/99/76/794409976.db2.gz WTXMTBKIFYMORE-XADZXUCXSA-N 1 3 344.456 -1.309 20 0 EAADHO COCCC1([NH3+])CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001221135948 794416819 /nfs/dbraw/zinc/41/68/19/794416819.db2.gz HYZVEJLOLZNQRN-QWRGUYRKSA-N 1 3 343.428 -1.950 20 0 EAADHO N[C@@H](CC[NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148698 794419184 /nfs/dbraw/zinc/41/91/84/794419184.db2.gz LMIOQBFVFHKRAR-ZDUSSCGKSA-N 1 3 341.437 -1.391 20 0 EAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221188596 794424684 /nfs/dbraw/zinc/42/46/84/794424684.db2.gz YPTZMRKGESDFRU-UWVGGRQHSA-N 1 3 333.410 -1.840 20 0 EAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221188597 794425638 /nfs/dbraw/zinc/42/56/38/794425638.db2.gz YPTZMRKGESDFRU-ZJUUUORDSA-N 1 3 333.410 -1.840 20 0 EAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001221190201 794426668 /nfs/dbraw/zinc/42/66/68/794426668.db2.gz FLQQIFFNMKDTEL-AEJSXWLSSA-N 1 3 345.400 -2.519 20 0 EAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001221190356 794426720 /nfs/dbraw/zinc/42/67/20/794426720.db2.gz KFAYBSJVKKRLBM-DCAQKATOSA-N 1 3 344.412 -1.306 20 0 EAADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001221190472 794426215 /nfs/dbraw/zinc/42/62/15/794426215.db2.gz OXBXVPNFJJJIFF-CIUDSAMLSA-N 1 3 331.373 -2.910 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250682 794430168 /nfs/dbraw/zinc/43/01/68/794430168.db2.gz UWRNVKKSZYIENM-KNHMANMVSA-N 1 3 339.440 -1.268 20 0 EAADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221256957 794432235 /nfs/dbraw/zinc/43/22/35/794432235.db2.gz SDINBVXHVHXEFI-OLZOCXBDSA-N 1 3 335.408 -1.181 20 0 EAADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221256958 794431304 /nfs/dbraw/zinc/43/13/04/794431304.db2.gz SDINBVXHVHXEFI-STQMWFEESA-N 1 3 335.408 -1.181 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1=CC(=O)NCC1 ZINC001221316071 794433114 /nfs/dbraw/zinc/43/31/14/794433114.db2.gz COIKIHRDNIECJO-STQMWFEESA-N 1 3 337.424 -1.046 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221334202 794433645 /nfs/dbraw/zinc/43/36/45/794433645.db2.gz ZTGFKCIEBYZGHU-BPNCWPANSA-N 1 3 347.419 -1.394 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CNC(=O)O1 ZINC001221369015 794435612 /nfs/dbraw/zinc/43/56/12/794435612.db2.gz JGRGZFCWYXVABM-SRVKXCTJSA-N 1 3 341.412 -1.342 20 0 EAADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221369017 794434885 /nfs/dbraw/zinc/43/48/85/794434885.db2.gz JGRGZFCWYXVABM-WOPDTQHZSA-N 1 3 341.412 -1.342 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221399709 794435395 /nfs/dbraw/zinc/43/53/95/794435395.db2.gz SIWZWIPVPAPNMP-BPNCWPANSA-N 1 3 347.419 -1.476 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001221402602 794435093 /nfs/dbraw/zinc/43/50/93/794435093.db2.gz JMSUUSRPOCNTSX-WTIISPKJSA-N 1 3 341.456 -1.070 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221406227 794434648 /nfs/dbraw/zinc/43/46/48/794434648.db2.gz PGVVCKGVZJFCAQ-UWVGGRQHSA-N 1 3 329.401 -2.733 20 0 EAADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407956 794435321 /nfs/dbraw/zinc/43/53/21/794435321.db2.gz GJEHKWYKXGMQLL-CYDGBPFRSA-N 1 3 341.456 -1.071 20 0 EAADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407956 794435317 /nfs/dbraw/zinc/43/53/17/794435317.db2.gz GJEHKWYKXGMQLL-CYDGBPFRSA-N 1 3 341.456 -1.071 20 0 EAADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407958 794435663 /nfs/dbraw/zinc/43/56/63/794435663.db2.gz GJEHKWYKXGMQLL-RVMXOQNASA-N 1 3 341.456 -1.071 20 0 EAADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)C1 ZINC001221407958 794435661 /nfs/dbraw/zinc/43/56/61/794435661.db2.gz GJEHKWYKXGMQLL-RVMXOQNASA-N 1 3 341.456 -1.071 20 0 EAADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407959 794435227 /nfs/dbraw/zinc/43/52/27/794435227.db2.gz GJEHKWYKXGMQLL-VOAKCMCISA-N 1 3 341.456 -1.071 20 0 EAADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407959 794435220 /nfs/dbraw/zinc/43/52/20/794435220.db2.gz GJEHKWYKXGMQLL-VOAKCMCISA-N 1 3 341.456 -1.071 20 0 EAADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407961 794435797 /nfs/dbraw/zinc/43/57/97/794435797.db2.gz GJEHKWYKXGMQLL-XQHKEYJVSA-N 1 3 341.456 -1.071 20 0 EAADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H](C)C1 ZINC001221407961 794435794 /nfs/dbraw/zinc/43/57/94/794435794.db2.gz GJEHKWYKXGMQLL-XQHKEYJVSA-N 1 3 341.456 -1.071 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221412962 794434994 /nfs/dbraw/zinc/43/49/94/794434994.db2.gz IBPYFFNRIUUJSE-LJUAHTATSA-N 1 3 325.413 -1.802 20 0 EAADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221412963 794435185 /nfs/dbraw/zinc/43/51/85/794435185.db2.gz IBPYFFNRIUUJSE-QWRKXWFKSA-N 1 3 325.413 -1.802 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1)C(N)=O ZINC001221413352 794437972 /nfs/dbraw/zinc/43/79/72/794437972.db2.gz KGTDPXNUMXRGOT-BHYNMZESSA-N 1 3 339.440 -1.412 20 0 EAADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H](C1CCC1)C1C[NH2+]C1)C(N)=O ZINC001221413353 794436657 /nfs/dbraw/zinc/43/66/57/794436657.db2.gz KGTDPXNUMXRGOT-MRCXROJRSA-N 1 3 339.440 -1.412 20 0 EAADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCNC3(CC[NH2+]CC3)C2)O1 ZINC001222085800 794459562 /nfs/dbraw/zinc/45/95/62/794459562.db2.gz LKQNWNQPMQIHMO-HZSPNIEDSA-N 1 3 329.441 -1.113 20 0 EAADHO CS(=O)(=O)CS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244280 794661216 /nfs/dbraw/zinc/66/12/16/794661216.db2.gz ZPEFXIOSEDWUKW-JTQLQIEISA-N 1 3 325.456 -1.218 20 0 EAADHO CS(=O)(=O)CS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244280 794661213 /nfs/dbraw/zinc/66/12/13/794661213.db2.gz ZPEFXIOSEDWUKW-JTQLQIEISA-N 1 3 325.456 -1.218 20 0 EAADHO CS(=O)(=O)CS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244281 794661478 /nfs/dbraw/zinc/66/14/78/794661478.db2.gz ZPEFXIOSEDWUKW-SNVBAGLBSA-N 1 3 325.456 -1.218 20 0 EAADHO CS(=O)(=O)CS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244281 794661475 /nfs/dbraw/zinc/66/14/75/794661475.db2.gz ZPEFXIOSEDWUKW-SNVBAGLBSA-N 1 3 325.456 -1.218 20 0 EAADHO NCCS(=O)(=O)NCCCOCCOCCOCCC[NH3+] ZINC001238437266 794663346 /nfs/dbraw/zinc/66/33/46/794663346.db2.gz FMRBYFHJRZDTIZ-UHFFFAOYSA-N 1 3 327.447 -1.347 20 0 EAADHO NCCS(=O)(=O)NCCOCCOCCOCCOCC[NH3+] ZINC001238469111 794663302 /nfs/dbraw/zinc/66/33/02/794663302.db2.gz UCMDSTPYGCOJCG-UHFFFAOYSA-N 1 3 343.446 -2.110 20 0 EAADHO NCCS(=O)(=O)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001239046007 794666040 /nfs/dbraw/zinc/66/60/40/794666040.db2.gz HYDZRJQEBWVALZ-UHFFFAOYSA-N 1 3 331.442 -1.252 20 0 EAADHO CN1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001239081211 794665724 /nfs/dbraw/zinc/66/57/24/794665724.db2.gz OCKXADLCVBJVLH-AGIUHOORSA-N 1 3 328.442 -1.039 20 0 EAADHO CN(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)CC[NH3+])CCC2 ZINC001239081744 794666266 /nfs/dbraw/zinc/66/62/66/794666266.db2.gz RVEHGEGSYOINFD-UHFFFAOYSA-N 1 3 329.426 -1.201 20 0 EAADHO NCCS(=O)(=O)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239141707 794667539 /nfs/dbraw/zinc/66/75/39/794667539.db2.gz FQEZPYJFYQOEKV-UHFFFAOYSA-N 1 3 334.486 -1.091 20 0 EAADHO O=S1(=O)CC[C@H](NC[C@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984212 794670676 /nfs/dbraw/zinc/67/06/76/794670676.db2.gz IQUKHFNTKXLASL-NEPJUHHUSA-N 1 3 333.454 -2.029 20 0 EAADHO O=S1(=O)CC[C@@H](NC[C@@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984227 794671146 /nfs/dbraw/zinc/67/11/46/794671146.db2.gz IQUKHFNTKXLASL-NWDGAFQWSA-N 1 3 333.454 -2.029 20 0 EAADHO O=S1(=O)CC[C@H](NC[C@@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984228 794670440 /nfs/dbraw/zinc/67/04/40/794670440.db2.gz IQUKHFNTKXLASL-RYUDHWBXSA-N 1 3 333.454 -2.029 20 0 EAADHO O=S1(=O)CC[C@@H](NC[C@H](O)CC2(O)CC[NH2+]CC2)C12CNC2 ZINC001245984229 794670784 /nfs/dbraw/zinc/67/07/84/794670784.db2.gz IQUKHFNTKXLASL-VXGBXAGGSA-N 1 3 333.454 -2.029 20 0 EAADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC(=O)C12CNC2 ZINC001246031014 794670950 /nfs/dbraw/zinc/67/09/50/794670950.db2.gz ZTTZOYPRCVFFMG-UONOGXRCSA-N 1 3 340.374 -1.031 20 0 EAADHO O[C@@H](CN1CCOC[C@@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033182 794671287 /nfs/dbraw/zinc/67/12/87/794671287.db2.gz UJPXLMZYZCXIFW-GDBMZVCRSA-N 1 3 329.441 -1.457 20 0 EAADHO O[C@H](CN1CCOC[C@@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033183 794671029 /nfs/dbraw/zinc/67/10/29/794671029.db2.gz UJPXLMZYZCXIFW-GOEBONIOSA-N 1 3 329.441 -1.457 20 0 EAADHO O[C@H](CN1CCOC[C@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033185 794670767 /nfs/dbraw/zinc/67/07/67/794670767.db2.gz UJPXLMZYZCXIFW-HOCLYGCPSA-N 1 3 329.441 -1.457 20 0 EAADHO O[C@@H](CN1CCOC[C@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033186 794670339 /nfs/dbraw/zinc/67/03/39/794670339.db2.gz UJPXLMZYZCXIFW-ZBFHGGJFSA-N 1 3 329.441 -1.457 20 0 EAADHO O=C([C@@H]1C[C@@H]([NH2+]CCN2CCNCC2=O)CN1)N1CCSC1 ZINC001246358199 794674070 /nfs/dbraw/zinc/67/40/70/794674070.db2.gz YLGUTZNLDGHVMR-NEPJUHHUSA-N 1 3 327.454 -1.729 20 0 EAADHO O=C([C@@H]1C[C@H]([NH2+]CCN2CCNCC2=O)CN1)N1CCSC1 ZINC001246358200 794674030 /nfs/dbraw/zinc/67/40/30/794674030.db2.gz YLGUTZNLDGHVMR-RYUDHWBXSA-N 1 3 327.454 -1.729 20 0 EAADHO COC(=O)[C@H]1CNCCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620625 794675799 /nfs/dbraw/zinc/67/57/99/794675799.db2.gz KUBNYXBFPAYVHH-GRYCIOLGSA-N 1 3 328.438 -1.303 20 0 EAADHO COC(=O)[C@H]1CNCCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620627 794675475 /nfs/dbraw/zinc/67/54/75/794675475.db2.gz KUBNYXBFPAYVHH-SDDRHHMPSA-N 1 3 328.438 -1.303 20 0 EAADHO COC(=O)[C@@H]1CNCCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620628 794675011 /nfs/dbraw/zinc/67/50/11/794675011.db2.gz KUBNYXBFPAYVHH-SRVKXCTJSA-N 1 3 328.438 -1.303 20 0 EAADHO COC(=O)[C@@H]1CNCCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246620630 794675520 /nfs/dbraw/zinc/67/55/20/794675520.db2.gz KUBNYXBFPAYVHH-WOPDTQHZSA-N 1 3 328.438 -1.303 20 0 EAADHO O=C([C@@H]1C[C@@H](N2CCNC(=O)C23CNC3)C[NH2+]1)N1CCSC1 ZINC001246634369 794675903 /nfs/dbraw/zinc/67/59/03/794675903.db2.gz GIRFADCBOPKBEN-MNOVXSKESA-N 1 3 325.438 -1.976 20 0 EAADHO O=C([C@@H]1C[C@H](N2CCNC(=O)C23CNC3)C[NH2+]1)N1CCSC1 ZINC001246634376 794675531 /nfs/dbraw/zinc/67/55/31/794675531.db2.gz GIRFADCBOPKBEN-QWRGUYRKSA-N 1 3 325.438 -1.976 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CO[C@@]2(CC[NH2+]C2)C1)O3 ZINC001247007192 794677998 /nfs/dbraw/zinc/67/79/98/794677998.db2.gz BVMZIMDTNDBPSH-DGTMBMJNSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CO[C@@]2(CC[NH2+]C2)C1)O3 ZINC001247007193 794677053 /nfs/dbraw/zinc/67/70/53/794677053.db2.gz BVMZIMDTNDBPSH-NDKCEZKHSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[C@H]2C[NH2+]CCN2C1)O3 ZINC001247007756 794677608 /nfs/dbraw/zinc/67/76/08/794677608.db2.gz DWWYXKFLNFTLJL-HPCHECBXSA-N 1 3 328.438 -1.823 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[C@H]2C[NH2+]CCN2C1)O3 ZINC001247007761 794677660 /nfs/dbraw/zinc/67/76/60/794677660.db2.gz DWWYXKFLNFTLJL-ZSLBOAEBSA-N 1 3 328.438 -1.823 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[NH2+][C@H]2CCO[C@@H]21)O3 ZINC001247007824 794677931 /nfs/dbraw/zinc/67/79/31/794677931.db2.gz FMWISJFXCXDQIB-ORWNZLQRSA-N 1 3 329.422 -1.349 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[NH2+][C@H]2CCO[C@@H]21)O3 ZINC001247007830 794677920 /nfs/dbraw/zinc/67/79/20/794677920.db2.gz FMWISJFXCXDQIB-QUGYJXMDSA-N 1 3 329.422 -1.349 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21)O3 ZINC001247008906 794677034 /nfs/dbraw/zinc/67/70/34/794677034.db2.gz IPPJMSDRAADUJQ-BSOLPCOYSA-N 1 3 329.422 -1.349 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+][C@@H]2CCCO[C@@H]21)O3 ZINC001247008910 794677068 /nfs/dbraw/zinc/67/70/68/794677068.db2.gz IPPJMSDRAADUJQ-TVQXOTEMSA-N 1 3 329.422 -1.349 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12)O3 ZINC001247008947 794677935 /nfs/dbraw/zinc/67/79/35/794677935.db2.gz IUDLPTAGWUBNFH-KJKVDNPUSA-N 1 3 329.422 -1.634 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)O3 ZINC001247008951 794677556 /nfs/dbraw/zinc/67/75/56/794677556.db2.gz IUDLPTAGWUBNFH-XOKHJRTDSA-N 1 3 329.422 -1.634 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCOC2(C[NH2+]C2)C1)O3 ZINC001247010774 794677581 /nfs/dbraw/zinc/67/75/81/794677581.db2.gz OUKNOGDKDCQJID-NMKXLXIOSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCOC2(C[NH2+]C2)C1)O3 ZINC001247010775 794677950 /nfs/dbraw/zinc/67/79/50/794677950.db2.gz OUKNOGDKDCQJID-OPDFLTKYSA-N 1 3 329.422 -1.348 20 0 EAADHO CCC(=O)[C@H]1C[C@@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247010832 794677316 /nfs/dbraw/zinc/67/73/16/794677316.db2.gz PPQWVOFAKAYMTH-AFCCXKIYSA-N 1 3 329.422 -1.159 20 0 EAADHO CCC(=O)[C@H]1C[C@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247010833 794677531 /nfs/dbraw/zinc/67/75/31/794677531.db2.gz PPQWVOFAKAYMTH-AXMVNOCNSA-N 1 3 329.422 -1.159 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CSC2(C[NH2+]C2)C1)O3 ZINC001247011628 794677992 /nfs/dbraw/zinc/67/79/92/794677992.db2.gz QANNHKDBJONCDP-DCQANWLSSA-N 1 3 331.463 -1.021 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CSC2(C[NH2+]C2)C1)O3 ZINC001247011630 794677944 /nfs/dbraw/zinc/67/79/44/794677944.db2.gz QANNHKDBJONCDP-NOHGZBONSA-N 1 3 331.463 -1.021 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@H]1CCC2(C[NH2+]C2)O1)O3 ZINC001247012973 794677713 /nfs/dbraw/zinc/67/77/13/794677713.db2.gz VMGUEXLIIQQTRD-NMKXLXIOSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@@H]1CCC2(C[NH2+]C2)O1)O3 ZINC001247012976 794677866 /nfs/dbraw/zinc/67/78/66/794677866.db2.gz VMGUEXLIIQQTRD-OPDFLTKYSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCO[C@]12CC[NH2+]C2)O3 ZINC001247013133 794677518 /nfs/dbraw/zinc/67/75/18/794677518.db2.gz VYWDZCWXHURYGF-DGTMBMJNSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCO[C@@]12CC[NH2+]C2)O3 ZINC001247013135 794677502 /nfs/dbraw/zinc/67/75/02/794677502.db2.gz VYWDZCWXHURYGF-HTOAHKCRSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCO[C@]12CC[NH2+]C2)O3 ZINC001247013136 794677333 /nfs/dbraw/zinc/67/73/33/794677333.db2.gz VYWDZCWXHURYGF-QMVSFRDZSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCO[C@@]12CC[NH2+]C2)O3 ZINC001247013137 794677392 /nfs/dbraw/zinc/67/73/92/794677392.db2.gz VYWDZCWXHURYGF-RGDJUOJXSA-N 1 3 329.422 -1.348 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]21)O3 ZINC001247013782 794678000 /nfs/dbraw/zinc/67/80/00/794678000.db2.gz YLTDTICYAMBZEL-ORWNZLQRSA-N 1 3 329.422 -1.349 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12)O3 ZINC001247013784 794677144 /nfs/dbraw/zinc/67/71/44/794677144.db2.gz YLTDTICYAMBZEL-QUGYJXMDSA-N 1 3 329.422 -1.349 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21)O3 ZINC001247013787 794677481 /nfs/dbraw/zinc/67/74/81/794677481.db2.gz YLTDTICYAMBZEL-WFQJECDVSA-N 1 3 329.422 -1.349 20 0 EAADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)O3 ZINC001247013788 794676957 /nfs/dbraw/zinc/67/69/57/794676957.db2.gz YLTDTICYAMBZEL-WZBKEBKWSA-N 1 3 329.422 -1.349 20 0 EAADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@H](O)CO)CC2 ZINC001252058399 794685997 /nfs/dbraw/zinc/68/59/97/794685997.db2.gz BMWLRSDNXFHKTJ-AWEZNQCLSA-N 1 3 328.457 -1.490 20 0 EAADHO CCN(CC)C[C@@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253208956 794693322 /nfs/dbraw/zinc/69/33/22/794693322.db2.gz VKOFXLWOAASPCN-AWEZNQCLSA-N 1 3 336.502 -1.144 20 0 EAADHO CCN(CC)C[C@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253208967 794692890 /nfs/dbraw/zinc/69/28/90/794692890.db2.gz VKOFXLWOAASPCN-CQSZACIVSA-N 1 3 336.502 -1.144 20 0 EAADHO CN1CC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255421378 794729764 /nfs/dbraw/zinc/72/97/64/794729764.db2.gz IVLYTZJLYCWKRW-LMLFDSFASA-N 1 3 349.395 -1.341 20 0 EAADHO CN1CC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255421379 794730268 /nfs/dbraw/zinc/73/02/68/794730268.db2.gz IVLYTZJLYCWKRW-UKKRHICBSA-N 1 3 349.395 -1.341 20 0 EAADHO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(C2CC2)CC1 ZINC001256069837 794738097 /nfs/dbraw/zinc/73/80/97/794738097.db2.gz MGVLRGRKTAZMLK-UHFFFAOYSA-N 1 3 340.424 -1.002 20 0 EAADHO OC[C@H]1O[C@@H](O)[C@H](NC2CCN(c3cc[nH+]cc3)CC2)[C@@H](O)[C@@H]1O ZINC001256853764 794743773 /nfs/dbraw/zinc/74/37/73/794743773.db2.gz QSVUYPMZDKBKKK-OXGONZEZSA-N 1 3 339.392 -1.560 20 0 EAADHO OC[C@H]1O[C@H](O)[C@H](NC2CCN(c3cc[nH+]cc3)CC2)[C@@H](O)[C@@H]1O ZINC001256853765 794743557 /nfs/dbraw/zinc/74/35/57/794743557.db2.gz QSVUYPMZDKBKKK-QCODTGAPSA-N 1 3 339.392 -1.560 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001261320589 794779899 /nfs/dbraw/zinc/77/98/99/794779899.db2.gz GDYFLUNWFJSZTM-OKILXGFUSA-N 1 3 342.440 -1.436 20 0 EAADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001261611356 794789323 /nfs/dbraw/zinc/78/93/23/794789323.db2.gz OXDWURNKPGGFHX-UHFFFAOYSA-N 1 3 344.456 -1.716 20 0 EAADHO [NH3+]CCCOCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261822661 794800478 /nfs/dbraw/zinc/80/04/78/794800478.db2.gz GMHJEUAAMLPZJE-AWEZNQCLSA-N 1 3 342.440 -1.163 20 0 EAADHO [NH3+]CCCOCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261822662 794801096 /nfs/dbraw/zinc/80/10/96/794801096.db2.gz GMHJEUAAMLPZJE-CQSZACIVSA-N 1 3 342.440 -1.163 20 0 EAADHO C[NH2+]CCOCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261823402 794800780 /nfs/dbraw/zinc/80/07/80/794800780.db2.gz YDAUAGAVOFRPGK-AWEZNQCLSA-N 1 3 342.440 -1.292 20 0 EAADHO C[NH2+]CCOCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261823403 794800695 /nfs/dbraw/zinc/80/06/95/794800695.db2.gz YDAUAGAVOFRPGK-CQSZACIVSA-N 1 3 342.440 -1.292 20 0 EAADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001262068782 794808871 /nfs/dbraw/zinc/80/88/71/794808871.db2.gz KUWQOHBFYJHQMA-CYBMUJFWSA-N 1 3 325.457 -1.064 20 0 EAADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001262068783 794807949 /nfs/dbraw/zinc/80/79/49/794807949.db2.gz KUWQOHBFYJHQMA-ZDUSSCGKSA-N 1 3 325.457 -1.064 20 0 EAADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001262541602 794816468 /nfs/dbraw/zinc/81/64/68/794816468.db2.gz BEVMEXHCMQCAQP-UHFFFAOYSA-N 1 3 341.456 -1.765 20 0 EAADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)CN1CCN(C)CC1 ZINC001262546111 794816273 /nfs/dbraw/zinc/81/62/73/794816273.db2.gz PSMVAUIBFBOQOS-IHRRRGAJSA-N 1 3 325.457 -1.160 20 0 EAADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)CN1CCN(C)CC1 ZINC001262546112 794816716 /nfs/dbraw/zinc/81/67/16/794816716.db2.gz PSMVAUIBFBOQOS-MGPQQGTHSA-N 1 3 325.457 -1.160 20 0 EAADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001262548818 794817110 /nfs/dbraw/zinc/81/71/10/794817110.db2.gz CJRMWURJLNDUHA-UKRRQHHQSA-N 1 3 337.468 -1.051 20 0 EAADHO CS(=O)(=O)NCCN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265939996 794881635 /nfs/dbraw/zinc/88/16/35/794881635.db2.gz GPPPZRKMZZEVON-LBPRGKRZSA-N 1 3 330.454 -1.178 20 0 EAADHO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@H]1CCCN1C ZINC001266660898 785141126 /nfs/dbraw/zinc/14/11/26/785141126.db2.gz WCICDPOVDQKPTQ-CYBMUJFWSA-N 1 3 337.424 -1.274 20 0 EAADHO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@@H]1CCCN1C ZINC001266660899 785140680 /nfs/dbraw/zinc/14/06/80/785140680.db2.gz WCICDPOVDQKPTQ-ZDUSSCGKSA-N 1 3 337.424 -1.274 20 0 EAADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970815 785174651 /nfs/dbraw/zinc/17/46/51/785174651.db2.gz HHWDPPAIGNBFSJ-NEPJUHHUSA-N 1 3 325.413 -1.026 20 0 EAADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970816 785174619 /nfs/dbraw/zinc/17/46/19/785174619.db2.gz HHWDPPAIGNBFSJ-NWDGAFQWSA-N 1 3 325.413 -1.026 20 0 EAADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970817 785174294 /nfs/dbraw/zinc/17/42/94/785174294.db2.gz HHWDPPAIGNBFSJ-RYUDHWBXSA-N 1 3 325.413 -1.026 20 0 EAADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970818 785174443 /nfs/dbraw/zinc/17/44/43/785174443.db2.gz HHWDPPAIGNBFSJ-VXGBXAGGSA-N 1 3 325.413 -1.026 20 0 EAADHO CN(CCNCC(=O)N1CCC(C(N)=O)CC1)C(=O)CC[NH+](C)C ZINC001267424100 785236670 /nfs/dbraw/zinc/23/66/70/785236670.db2.gz CRJSLTIXMMJPLV-UHFFFAOYSA-N 1 3 341.456 -1.290 20 0 EAADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)N(C)C ZINC001267429847 785236126 /nfs/dbraw/zinc/23/61/26/785236126.db2.gz HAAATXNTWDQPBW-ZDUSSCGKSA-N 1 3 339.440 -1.028 20 0 EAADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304937 785404450 /nfs/dbraw/zinc/40/44/50/785404450.db2.gz OIOCBRDVIPWHFP-KBPBESRZSA-N 1 3 341.456 -1.049 20 0 EAADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304938 785404954 /nfs/dbraw/zinc/40/49/54/785404954.db2.gz OIOCBRDVIPWHFP-KGLIPLIRSA-N 1 3 341.456 -1.049 20 0 EAADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304940 785404903 /nfs/dbraw/zinc/40/49/03/785404903.db2.gz OIOCBRDVIPWHFP-UONOGXRCSA-N 1 3 341.456 -1.049 20 0 EAADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304942 785404471 /nfs/dbraw/zinc/40/44/71/785404471.db2.gz OIOCBRDVIPWHFP-ZIAGYGMSSA-N 1 3 341.456 -1.049 20 0 EAADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001268304946 785404424 /nfs/dbraw/zinc/40/44/24/785404424.db2.gz OLBZPUSYUTWCEV-CHWSQXEVSA-N 1 3 335.470 -1.030 20 0 EAADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001268304946 785404419 /nfs/dbraw/zinc/40/44/19/785404419.db2.gz OLBZPUSYUTWCEV-CHWSQXEVSA-N 1 3 335.470 -1.030 20 0 EAADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001268304947 785405065 /nfs/dbraw/zinc/40/50/65/785405065.db2.gz OLBZPUSYUTWCEV-OLZOCXBDSA-N 1 3 335.470 -1.030 20 0 EAADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001268304947 785405059 /nfs/dbraw/zinc/40/50/59/785405059.db2.gz OLBZPUSYUTWCEV-OLZOCXBDSA-N 1 3 335.470 -1.030 20 0 EAADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001268304949 785404844 /nfs/dbraw/zinc/40/48/44/785404844.db2.gz OLBZPUSYUTWCEV-QWHCGFSZSA-N 1 3 335.470 -1.030 20 0 EAADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001268304949 785404839 /nfs/dbraw/zinc/40/48/39/785404839.db2.gz OLBZPUSYUTWCEV-QWHCGFSZSA-N 1 3 335.470 -1.030 20 0 EAADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001268304951 785404935 /nfs/dbraw/zinc/40/49/35/785404935.db2.gz OLBZPUSYUTWCEV-STQMWFEESA-N 1 3 335.470 -1.030 20 0 EAADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001268304951 785404926 /nfs/dbraw/zinc/40/49/26/785404926.db2.gz OLBZPUSYUTWCEV-STQMWFEESA-N 1 3 335.470 -1.030 20 0 EAADHO C[C@@H](CNCCNS(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268686538 785465942 /nfs/dbraw/zinc/46/59/42/785465942.db2.gz GDVJZVUFUXEWQZ-AAEUAGOBSA-N 1 3 332.470 -1.028 20 0 EAADHO C[C@@H](CNCCNS(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268686539 785466396 /nfs/dbraw/zinc/46/63/96/785466396.db2.gz GDVJZVUFUXEWQZ-WCQYABFASA-N 1 3 332.470 -1.028 20 0 EAADHO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001268704448 785467647 /nfs/dbraw/zinc/46/76/47/785467647.db2.gz DDJZOQVOXRWOGX-NEPJUHHUSA-N 1 3 325.413 -1.026 20 0 EAADHO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001268704449 785467845 /nfs/dbraw/zinc/46/78/45/785467845.db2.gz DDJZOQVOXRWOGX-RYUDHWBXSA-N 1 3 325.413 -1.026 20 0 EAADHO O=C(CN(CCO)CCO)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001269095755 785506275 /nfs/dbraw/zinc/50/62/75/785506275.db2.gz UYWWMIPEQHCDEZ-UHFFFAOYSA-N 1 3 337.424 -1.686 20 0 EAADHO O=C(NC[C@]1(O)CCN(CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001271146335 785661730 /nfs/dbraw/zinc/66/17/30/785661730.db2.gz VQPBFSBWOUFLHG-DOTOQJQBSA-N 1 3 341.452 -1.110 20 0 EAADHO O=C(NC[C@]1(O)CCN(CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001271146336 785661017 /nfs/dbraw/zinc/66/10/17/785661017.db2.gz VQPBFSBWOUFLHG-NVXWUHKLSA-N 1 3 341.452 -1.110 20 0 EAADHO O=C(NC[C@@]1(O)CCN(CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001271146337 785661456 /nfs/dbraw/zinc/66/14/56/785661456.db2.gz VQPBFSBWOUFLHG-RDJZCZTQSA-N 1 3 341.452 -1.110 20 0 EAADHO O=C(NC[C@@]1(O)CCN(CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001271146338 785661514 /nfs/dbraw/zinc/66/15/14/785661514.db2.gz VQPBFSBWOUFLHG-WBVHZDCISA-N 1 3 341.452 -1.110 20 0 EAADHO CN1CCC(O)(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001271803407 785734739 /nfs/dbraw/zinc/73/47/39/785734739.db2.gz DSNSRWKXWXMNIQ-CABCVRRESA-N 1 3 340.468 -1.084 20 0 EAADHO CN1CCC(O)(C(=O)N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001271803409 785734793 /nfs/dbraw/zinc/73/47/93/785734793.db2.gz DSNSRWKXWXMNIQ-GJZGRUSLSA-N 1 3 340.468 -1.084 20 0 EAADHO CN1CCC(O)(C(=O)N2[C@H]3COC[C@@H]2CN(CC[NH+](C)C)C3)CC1 ZINC001271804808 785734549 /nfs/dbraw/zinc/73/45/49/785734549.db2.gz RAPTWFRUGLQTCF-GASCZTMLSA-N 1 3 340.468 -1.084 20 0 EAADHO CN1CCC(O)(C(=O)N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)CC1 ZINC001271805217 785734393 /nfs/dbraw/zinc/73/43/93/785734393.db2.gz UBGJAXUPPCPXFF-GASCZTMLSA-N 1 3 340.468 -1.084 20 0 EAADHO NC(=O)NC(=O)CNCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001272201822 785815174 /nfs/dbraw/zinc/81/51/74/785815174.db2.gz GSUGRJVPPULVTR-UHFFFAOYSA-N 1 3 341.412 -1.780 20 0 EAADHO CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001272258421 785834859 /nfs/dbraw/zinc/83/48/59/785834859.db2.gz KMWKERAVFNPEMB-NEPJUHHUSA-N 1 3 328.413 -1.458 20 0 EAADHO CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001272258422 785836062 /nfs/dbraw/zinc/83/60/62/785836062.db2.gz KMWKERAVFNPEMB-RYUDHWBXSA-N 1 3 328.413 -1.458 20 0 EAADHO CS(=O)(=O)NCCNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272413355 785970824 /nfs/dbraw/zinc/97/08/24/785970824.db2.gz BYAVGLKYBRQDFS-CHWSQXEVSA-N 1 3 348.469 -2.056 20 0 EAADHO CS(=O)(=O)NCCNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272413356 785970833 /nfs/dbraw/zinc/97/08/33/785970833.db2.gz BYAVGLKYBRQDFS-OLZOCXBDSA-N 1 3 348.469 -2.056 20 0 EAADHO CS(=O)(=O)NCCNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272413372 785970816 /nfs/dbraw/zinc/97/08/16/785970816.db2.gz BYAVGLKYBRQDFS-QWHCGFSZSA-N 1 3 348.469 -2.056 20 0 EAADHO CS(=O)(=O)NCCNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272413373 785971030 /nfs/dbraw/zinc/97/10/30/785971030.db2.gz BYAVGLKYBRQDFS-STQMWFEESA-N 1 3 348.469 -2.056 20 0 EAADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001272434763 785973029 /nfs/dbraw/zinc/97/30/29/785973029.db2.gz JYEQUZOPDXAHNB-GHMZBOCLSA-N 1 3 326.397 -1.657 20 0 EAADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001272434764 785973180 /nfs/dbraw/zinc/97/31/80/785973180.db2.gz JYEQUZOPDXAHNB-MNOVXSKESA-N 1 3 326.397 -1.657 20 0 EAADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001272434765 785972724 /nfs/dbraw/zinc/97/27/24/785972724.db2.gz JYEQUZOPDXAHNB-QWRGUYRKSA-N 1 3 326.397 -1.657 20 0 EAADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001272434766 785972291 /nfs/dbraw/zinc/97/22/91/785972291.db2.gz JYEQUZOPDXAHNB-WDEREUQCSA-N 1 3 326.397 -1.657 20 0 EAADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C ZINC001273019487 786179805 /nfs/dbraw/zinc/17/98/05/786179805.db2.gz WTJPMCHKEYBRLR-OLZOCXBDSA-N 1 3 341.456 -1.231 20 0 EAADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C ZINC001273019491 786179820 /nfs/dbraw/zinc/17/98/20/786179820.db2.gz WTJPMCHKEYBRLR-STQMWFEESA-N 1 3 341.456 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/nfs/dbraw/zinc/43/97/14/786439714.db2.gz ZYKKEFYMCDADHM-CHWSQXEVSA-N 1 3 348.469 -1.696 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCCNS(C)(=O)=O)C2)C1 ZINC001273359617 786440156 /nfs/dbraw/zinc/44/01/56/786440156.db2.gz ZYKKEFYMCDADHM-OLZOCXBDSA-N 1 3 348.469 -1.696 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCCNS(C)(=O)=O)C2)C1 ZINC001273359617 786440153 /nfs/dbraw/zinc/44/01/53/786440153.db2.gz ZYKKEFYMCDADHM-OLZOCXBDSA-N 1 3 348.469 -1.696 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCCNS(C)(=O)=O)C2)C1 ZINC001273359618 786440084 /nfs/dbraw/zinc/44/00/84/786440084.db2.gz ZYKKEFYMCDADHM-QWHCGFSZSA-N 1 3 348.469 -1.696 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCCNS(C)(=O)=O)C2)C1 ZINC001273359618 786440081 /nfs/dbraw/zinc/44/00/81/786440081.db2.gz ZYKKEFYMCDADHM-QWHCGFSZSA-N 1 3 348.469 -1.696 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCCNS(C)(=O)=O)C2)C1 ZINC001273359619 786439801 /nfs/dbraw/zinc/43/98/01/786439801.db2.gz ZYKKEFYMCDADHM-STQMWFEESA-N 1 3 348.469 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791564122 /nfs/dbraw/zinc/56/41/22/791564122.db2.gz OIRBQBVWQDLUSE-NWDGAFQWSA-N 1 3 325.413 -1.074 20 0 EAADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCN1C(=O)CNC1=O ZINC001276002939 791563908 /nfs/dbraw/zinc/56/39/08/791563908.db2.gz OIRBQBVWQDLUSE-RYUDHWBXSA-N 1 3 325.413 -1.074 20 0 EAADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCN1C(=O)CNC1=O ZINC001276002939 791563901 /nfs/dbraw/zinc/56/39/01/791563901.db2.gz OIRBQBVWQDLUSE-RYUDHWBXSA-N 1 3 325.413 -1.074 20 0 EAADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCN1C(=O)CNC1=O ZINC001276002941 791563707 /nfs/dbraw/zinc/56/37/07/791563707.db2.gz OIRBQBVWQDLUSE-VXGBXAGGSA-N 1 3 325.413 -1.074 20 0 EAADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCN1C(=O)CNC1=O ZINC001276002941 791563699 /nfs/dbraw/zinc/56/36/99/791563699.db2.gz OIRBQBVWQDLUSE-VXGBXAGGSA-N 1 3 325.413 -1.074 20 0 EAADHO C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001277957909 794641426 /nfs/dbraw/zinc/64/14/26/794641426.db2.gz FGHLUNXEWMWONZ-BFHYXJOUSA-N 1 3 338.452 -1.032 20 0 EAADHO C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001277957914 794640919 /nfs/dbraw/zinc/64/09/19/794640919.db2.gz FGHLUNXEWMWONZ-IHRRRGAJSA-N 1 3 338.452 -1.032 20 0 EAADHO C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001277957919 794641536 /nfs/dbraw/zinc/64/15/36/794641536.db2.gz FGHLUNXEWMWONZ-MGPQQGTHSA-N 1 3 338.452 -1.032 20 0 EAADHO C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001277957925 794640885 /nfs/dbraw/zinc/64/08/85/794640885.db2.gz FGHLUNXEWMWONZ-RDBSUJKOSA-N 1 3 338.452 -1.032 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195492 794661338 /nfs/dbraw/zinc/66/13/38/794661338.db2.gz TUWDXGFVAFKIDK-GHMZBOCLSA-N 1 3 327.385 -2.443 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195492 794661331 /nfs/dbraw/zinc/66/13/31/794661331.db2.gz TUWDXGFVAFKIDK-GHMZBOCLSA-N 1 3 327.385 -2.443 20 0 EAADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195497 794661417 /nfs/dbraw/zinc/66/14/17/794661417.db2.gz TUWDXGFVAFKIDK-MNOVXSKESA-N 1 3 327.385 -2.443 20 0 EAADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195497 794661413 /nfs/dbraw/zinc/66/14/13/794661413.db2.gz TUWDXGFVAFKIDK-MNOVXSKESA-N 1 3 327.385 -2.443 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195499 794661526 /nfs/dbraw/zinc/66/15/26/794661526.db2.gz TUWDXGFVAFKIDK-QWRGUYRKSA-N 1 3 327.385 -2.443 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195499 794661521 /nfs/dbraw/zinc/66/15/21/794661521.db2.gz TUWDXGFVAFKIDK-QWRGUYRKSA-N 1 3 327.385 -2.443 20 0 EAADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195500 794662237 /nfs/dbraw/zinc/66/22/37/794662237.db2.gz TUWDXGFVAFKIDK-WDEREUQCSA-N 1 3 327.385 -2.443 20 0 EAADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCN2C(=O)CNC2=O)C1 ZINC001278195500 794662236 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